data_r4cn5sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4cn5 
_cell.length_a      103.2860 
_cell.length_b      44.3270 
_cell.length_c      63.9150 
_cell.angle_alpha   90.0000 
_cell.angle_beta    98.9500 
_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   1.28330 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.798 
_diffrn_reflns.pdbx_d_res_low    63.137 
_diffrn_reflns.limit_h_max       56 
_diffrn_reflns.limit_h_min       -57 
_diffrn_reflns.limit_k_max       24 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       35 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            26852 
_diffrn_reflns.pdbx_number_obs   24236 
# 
_entry.id   4cn5 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4cn5 
_symmetry.space_group_name_H-M   'C 1 2 1' 
_symmetry.Int_Tables_number      5 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 'X+1/2,  Y+1/2,  Z'   
4 '-X+1/2,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -54    4    1 o   86.098   19.665  588.205  210.293  588.205  210.293   0.0000   0.0000   86.098   19.665  ?   ?       ?      ? 
1 1 1  -54    6    1 o   38.147   17.973 -118.8507  225.336 -118.8507  225.336   0.0000   0.0000   38.147   17.973  ?   ?       ?      ? 
1 1 1  -53    1    1 o   41.155   19.717 -281.9910  294.672 -281.9910  294.672   0.0000   0.0000   41.155   19.717  ?   ?       ?      ? 
1 1 1  -53    1    2 o   35.062   16.884 -266.5416  222.549 -266.5416  222.549   0.0000   0.0000   35.062   16.884  ?   ?       ?      ? 
1 1 1  -53    1    3 o  117.888   15.860  968.153  237.442  968.153  237.442   0.0000   0.0000  117.888   15.860  ?   ?       ?      ? 
1 1 1  -53    3    1 o  304.827   6.1327  6138.45  235.418  5623.73  345.870  6582.76  321.344  292.074   9.3249  317.580   7.9678 -25.50601 12.26535 
1 1 1  -53    3    2 o  136.045   11.107  1307.39  184.991  1259.24  299.295  1337.16  235.326  132.124   17.838  139.966   13.239 -7.842712 22.21417 
1 1 1  -53    3    3 o  ?   ?  -974.7554  254.083 -974.7554  254.083   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -53    3    4 o  ?   ?  -1449.5110  248.775 -1449.5110  248.775   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -53    5    1 o   42.697   13.624 -23.3619  154.202   9.7663  240.033 -46.6415  201.214   45.503   20.330   39.891   18.143 5.612293 27.24828 
1 1 1  -53    5    2 o   27.483   13.741 -645.5693  154.132 -898.6580  242.749 -474.6147  199.509  ?   ?    27.483   13.741      ?      ? 
1 1 1  -53    5    3 o   29.788   10.583 -599.8580  171.048 -602.0069  266.295 -598.3487  223.175   31.757   15.877   27.819   13.996 3.937260 21.16515 
1 1 1  -53    5    4 o  ?   ?  -1246.1360  258.833 -1246.1360  258.833   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -53    7    1 f   63.348   14.044  294.071  157.905  596.510  219.525 -30.1716  227.301   84.892   20.577   41.803   19.117 43.08857 28.08707 
1 1 1  -53    7    2 o   65.342   15.554  360.341  151.179  327.918  198.199  405.450  233.779   62.702   21.071   67.981   22.884 -5.278481 31.10751 
1 1 1  -53    7    3 o   50.818   20.907  159.241  217.154  159.241  217.154   0.0000   0.0000   50.818   20.907  ?   ?       ?      ? 
1 1 1  -53    7    4 o   49.875   20.426  150.223  206.109  150.223  206.109   0.0000   0.0000   49.875   20.426  ?   ?       ?      ? 
1 1 1  -53    9    2 o   30.438   14.852 -240.0172  187.540 -240.0172  187.540   0.0000   0.0000   30.438   14.852  ?   ?       ?      ? 
1 1 1  -52    0    1 o   41.799   15.887  175.167  164.639  175.167  164.639  175.167  164.639   41.799   22.468   41.799   22.468 -0.000000 0.000000 
1 1 1  -52    0    3 o   27.148   12.577  -9.8128  152.703  -9.8128  152.703  -9.8128  152.703   27.148   17.787   27.148   17.787 -0.000000 0.000000 
1 1 1  -52    0    4 o   31.910   14.236   44.034  173.319   44.034  173.319   44.034  173.319   31.910   20.133   31.910   20.133 -0.000000 0.000000 
1 1 1  -52    0    5 o   41.749   16.531  168.932  186.138  168.932  186.138  168.932  186.138   41.749   23.378   41.749   23.378 -0.000000 0.000000 
1 1 1  -52    0    6 o   95.476   11.592  647.244  181.173  647.244  181.173  647.244  181.173   95.476   16.393   95.476   16.393 -0.000000 0.000000 
1 1 1  -52    2    1 f  173.534   6.7756  1939.32  139.877  2069.43  248.380  1878.89  169.271  176.840   11.060  170.229   7.8302 6.610764 13.55128 
1 1 1  -52    2    2 o   47.460   12.756  106.483  120.275 -110.8321  203.587  222.995  149.070   38.652   17.828   56.268   18.250 -17.61572 25.51272 
1 1 1  -52    2    3 o   89.949   16.016  613.060  179.253  593.693  227.986  644.416  290.092   89.367   20.522   90.532   24.594 -1.164642 32.03114 
1 1 1  -52    2    4 o   63.951   25.481  249.245  311.009   0.0000   0.0000  249.245  311.009  ?   ?    63.951   25.481      ?      ? 
1 1 1  -52    2    5 o   55.366   16.045  143.663  166.392  143.039  195.687  145.293  316.153   51.747   20.340   58.986   24.820 -7.238350 32.08947 
1 1 1  -52    2    6 o   47.260   19.741   72.225  197.748   72.225  197.748   0.0000   0.0000   47.260   19.741  ?   ?       ?      ? 
1 1 1  -52    2    7 o   36.801   17.002 -111.1456  186.324 -111.1456  186.324   0.0000   0.0000   36.801   17.002  ?   ?       ?      ? 
1 1 1  -52    4    1 o   56.407   14.802  215.048  141.636  188.445  203.932  239.839  196.862   54.576   20.954   58.238   20.914 -3.662220 29.60483 
1 1 1  -52    4    2 o   51.089   14.821  120.803  154.229   91.621  220.573  148.718  215.733   49.525   20.779   52.653   21.139 -3.128040 29.64149 
1 1 1  -52    4    3 o   57.980   15.499  198.032  154.094  118.444  194.842  330.942  251.790   49.479   20.010   66.482   23.676 -17.00277 30.99888 
1 1 1  -52    4    4 f   31.886   11.182 -484.3913  169.061 -428.5503  219.222 -566.3361  265.564   30.926   15.280   32.846   16.331 -1.919432 22.36460 
1 1 1  -52    4    5 o   40.190   13.436 -198.7169  172.208 -227.4058  216.121 -148.8254  285.005   35.736   17.057   44.644   20.765 -8.907814 26.87187 
1 1 1  -52    4    6 o   40.728   18.577 -78.0762  212.911 -78.0762  212.911   0.0000   0.0000   40.728   18.577  ?   ?       ?      ? 
1 1 1  -52    4    7 o   52.589   20.856  153.271  207.458  153.271  207.458   0.0000   0.0000   52.589   20.856  ?   ?       ?      ? 
1 1 1  -52    6    1 o   34.542   11.901 -324.5342  166.912 -365.0453  255.749 -294.4761  220.296   35.381   17.282   33.703   16.366 1.677704 23.80146 
1 1 1  -52    6    2 o  203.486   6.9359  2717.45  177.767  2278.93  240.043  3250.05  264.539  185.123   10.211  221.849   9.3898 -36.72609 13.87171 
1 1 1  -52    6    3 o  271.672   6.3901  4805.71  218.527  4002.62  294.501  5789.67  325.980  246.268   9.4167  297.076   8.6406 -50.80788 12.78027 
1 1 1  -52    6    4 o  234.798   6.6238  3627.27  196.944  3740.96  291.363  3531.63  267.240  237.917   9.6434  231.678   9.0832 6.238968 13.24763 
1 1 1  -52    6    5 o  219.994   7.0921  3180.47  197.104  3664.23  293.255  2781.85  266.199  235.320   9.8132  204.669   10.242 30.65077 14.18425 
1 1 1  -52    6    6 o  244.831   9.3764  3953.03  291.526  3953.03  291.526   0.0000   0.0000  244.831   9.3764  ?   ?       ?      ? 
1 1 1  -52    8    1 o   98.068   13.143  803.966  154.946  1083.67  207.587  452.089  232.834  124.253   13.156   71.884   22.756 52.36825 26.28505 
1 1 1  -52    8    2 o   73.580   15.042  451.703  148.330  422.753  203.126  484.777  217.112   71.236   21.015   75.924   21.528 -4.688446 30.08451 
1 1 1  -52    8    3 o   42.367   13.016 -40.9515  144.814 -267.0703  204.270  187.518  205.329   32.299   15.702   52.435   20.764 -20.13552 26.03212 
1 1 1  -52    8    4 o   49.611   14.257   83.529  155.041  307.445  225.488 -117.2567  213.524   61.367   22.334   37.855   17.727 23.51171 28.51396 
1 1 1  -52    8    5 o   49.057   21.414   85.640  251.908   85.640  251.908   0.0000   0.0000   49.057   21.414  ?   ?       ?      ? 
1 1 1  -52   10    1 o   41.522   13.248   24.288  149.063   68.057  206.187 -23.6359  215.752   43.218   19.101   39.825   18.363 3.393257 26.49639 
1 1 1  -52   10    2 o   42.243   13.217   46.639  141.838  113.810  199.695 -21.7483  201.496   45.461   19.449   39.025   17.902 6.436138 26.43423 
1 1 1  -52   10    3 o   43.164   13.311   74.611  137.281   78.772  197.338   70.708  191.102   43.561   18.986   42.767   18.661 0.7939186 26.62116 
1 1 1  -51    1    1 o  109.090   8.2429  778.995  113.651  680.669  155.091  893.034  167.025  101.573   12.023  116.607   11.279 -15.03423 16.48586 
1 1 1  -51    1    2 o   73.890   11.935  392.763  110.296  303.512  162.482  469.035  150.204   65.243   18.667   82.537   14.877 -17.29453 23.87029 
1 1 1  -51    1    3 o   41.554   17.059   54.256  144.184   54.256  144.184   0.0000   0.0000   41.554   17.059  ?   ?       ?      ? 
1 1 1  -51    1    4 o   34.015   10.929 -107.2695  107.318 -219.2766  150.174   9.6298  153.419   28.483   13.755   39.548   16.987 -11.06419 21.85746 
1 1 1  -51    1    5 o   91.983   9.5707  570.386  106.993  442.909  148.533  707.868  154.252   80.135   15.151  103.831   11.698 -23.69608 19.14139 
1 1 1  -51    1    6 o  106.431   8.3428  742.789  112.641  708.672  155.095  780.872  163.864  103.862   11.759  109.000   11.838 -5.137787 16.68558 
1 1 1  -51    1    7 o   45.644   13.327   40.351  127.003  151.469  196.516 -39.3479  166.429   53.066   20.517   38.223   17.014 14.84277 26.65322 
1 1 1  -51    1    8 o  102.827   10.056  697.459  128.603  753.911  206.625  661.762  164.307  105.736   15.388   99.919   12.949 5.817505 20.11130 
1 1 1  -51    1    9 o   67.049   20.421  324.483  189.527  324.483  189.527   0.0000   0.0000   67.049   20.421  ?   ?       ?      ? 
1 1 1  -51    3    1 o   50.149   13.276  146.066  111.554  160.875  180.867  136.974  141.722   52.377   19.823   47.922   17.665 4.454552 26.55194 
1 1 1  -51    3    2 o   39.720   12.385 -13.7682  118.830 -126.5971  215.153   35.756  142.542   39.582   18.281   39.857   16.713 -0.2744141 24.76929 
1 1 1  -51    3    3 o   59.468   13.113  167.312  123.775  472.237  204.934  -7.7978  155.300   80.386   20.122   38.550   16.821 41.83690 26.22670 
1 1 1  -51    3    4 o   47.311   12.781 -62.6711  119.651  330.519  215.469 -237.9730  143.872   67.680   21.941   26.941   13.116 40.73866 25.56176 
1 1 1  -51    3    5 o   33.194   11.100 -160.7715  120.034 -278.8083  208.807 -102.5134  146.695   33.883   16.326   32.505   15.042 1.377831 22.19908 
1 1 1  -51    3    6 o   66.218   16.570  304.462  163.138  323.166  187.818  246.992  329.223   66.915   20.317   65.521   26.181 1.393661 33.13986 
1 1 1  -51    3    7 o   50.507   15.622 -12.7432  157.730 -67.0821  177.910  186.850  340.971   38.047   17.207   62.966   26.079 -24.91888 31.24429 
1 1 1  -51    3    8 o   45.623   14.278 -22.4607  164.346   97.033  186.495 -437.7921  347.691   48.222   19.550   43.025   20.814 5.197071 28.55569 
1 1 1  -51    3    9 o   38.921   17.591 -64.5497  185.602 -64.5497  185.602   0.0000   0.0000   38.921   17.591  ?   ?       ?      ? 
1 1 1  -51    5    1 o   63.867   17.053  271.775  180.685  238.186  221.238  339.052  313.109   59.371   22.035   68.364   26.031 -8.992828 34.10531 
1 1 1  -51    5    2 o   51.378   15.577 -60.6589  160.614 -180.0687  183.122  337.485  334.380   33.720   15.981   69.037   26.743 -35.31659 31.15401 
1 1 1  -51    5    3 o   68.602   17.091  353.803  183.201  397.322  218.402  250.485  336.517   72.480   21.887   64.724   26.254 7.755638 34.18114 
1 1 1  -51    5    4 o   40.351   13.819 -262.2439  166.384 -283.7120  187.833 -184.0203  358.546   31.085   15.099   49.617   23.148 -18.53195 27.63749 
1 1 1  -51    5    5 o   80.529   14.988  562.544  182.152  738.481  211.386   55.155  358.978  103.606   16.066   57.453   25.308 46.15325 29.97662 
1 1 1  -51    5    6 o   95.867   16.958  590.256  196.817  379.159  231.456  1141.47  374.014   70.882   22.715  120.852   25.187 -49.96955 33.91678 
1 1 1  -51    5    7 o   54.577   16.399  109.028  192.692  184.688  222.712 -116.2495  384.297   55.971   21.785   53.183   24.517 2.788326 32.79770 
1 1 1  -51    5    8 o   42.699   18.777  -4.8213  196.858  -4.8213  196.858   0.0000   0.0000   42.699   18.777  ?   ?       ?      ? 
1 1 1  -51    7    1 o  240.883   6.2964  3801.50  192.252  3616.60  262.294  4016.14  282.612  234.667   8.8015  247.098   9.0062 -12.43001 12.59283 
1 1 1  -51    7    2 o  125.876   10.620  1118.71  163.726  1442.88  232.917  802.078  230.196  145.852   12.575  105.899   17.117 39.95334 21.23967 
1 1 1  -51    7    3 o   35.317   11.852 -198.0401  145.029 -113.8525  201.443 -288.6357  208.969   37.729   17.518   32.904   15.969 4.825207 23.70456 
1 1 1  -51    7    4 o  ?   ?  -1047.0800  155.270 -1291.8330  249.133 -891.6313  198.546  ?   ?   ?   ?       ?      ? 
1 1 1  -51    7    5 f   29.153   14.663 -894.9654  163.218 -657.0734  244.279 -1086.8220  219.374   29.153   14.663  ?   ?       ?      ? 
1 1 1  -51    7    6 o  ?   ?  -1180.4310  164.327 -835.4099  215.673 -1657.9200  253.720  ?   ?   ?   ?       ?      ? 
1 1 1  -51    7    7 o   46.108   20.239   24.737  227.791   24.737  227.791   0.0000   0.0000   46.108   20.239  ?   ?       ?      ? 
1 1 1  -51    9    1 f   40.928   12.952 -18.9304  141.808   80.795  200.060 -119.6328  201.037   45.408   19.448   36.448   17.110 8.959541 25.90331 
1 1 1  -51    9    2 o   34.977   11.724 -163.0449  140.242 -93.3021  199.766 -230.8204  196.928   37.410   17.395   32.544   15.724 4.865768 23.44855 
1 1 1  -51    9    3 o   46.595   14.279   73.239  155.821   88.071  209.961   55.053  232.484   46.716   19.963   46.474   20.422 0.2425041 28.55843 
1 1 1  -51    9    4 o   51.692   14.394  135.518  156.713 -90.2165  232.572  323.247  212.092   40.547   18.825   62.836   21.781 -22.28907 28.78859 
1 1 1  -51    9    5 o   31.164   10.805 -311.0092  143.443 -383.1302  227.227 -263.2271  184.953   31.885   15.716   30.444   14.831 1.440975 21.60966 
1 1 1  -51    9    6 o   58.661   22.691  264.910  240.454  264.910  240.454   0.0000   0.0000   58.661   22.691  ?   ?       ?      ? 
1 1 1  -51   11    2 o   31.534   10.885 -289.4772  146.155 -484.3566  213.294 -116.9802  200.672   27.736   13.916   35.332   16.741 -7.596039 21.76935 
1 1 1  -51   11    3 o   50.183   14.214  192.622  137.201  197.728  182.616  186.005  207.897   50.312   19.687   50.055   20.508 0.2570915 28.42832 
1 1 1  -51   11    4 o   64.581   21.758  384.264  211.331  384.264  211.331   0.0000   0.0000   64.581   21.758  ?   ?       ?      ? 
1 1 1  -50    0    1 o   21.106   10.458 -148.8542  149.438 -148.8542  149.438 -148.8542  149.438   21.106   14.790   21.106   14.790 -0.000000 0.000000 
1 1 1  -50    0    2 o  130.304   7.0685  1108.08  163.176  1108.08  163.176  1108.08  163.176  130.304   9.9963  130.304   9.9963 -0.000000 0.000000 
1 1 1  -50    0    3 o  100.120   9.3661  679.538  160.196  679.538  160.196  679.538  160.196  100.120   13.246  100.120   13.246 -0.000000 0.000000 
1 1 1  -50    0    4 o   20.242   10.151 -196.6420  154.995 -196.6420  154.995 -196.6420  154.995   20.242   14.356   20.242   14.356 -0.000000 0.000000 
1 1 1  -50    0    5 o   97.785   10.162  656.402  167.166  656.402  167.166  656.402  167.166   97.785   14.371   97.785   14.371 -0.000000 0.000000 
1 1 1  -50    0    6 o   23.920   11.559 -89.7214  155.829 -89.7214  155.829 -89.7214  155.829   23.920   16.346   23.920   16.346 -0.000000 0.000000 
1 1 1  -50    0    7 o  122.891   7.4420  990.510  161.477  990.510  161.477  990.510  161.477  122.891   10.525  122.891   10.525 -0.000000 0.000000 
1 1 1  -50    0    8 o   35.946   14.908  105.631  162.000  105.631  162.000  105.631  162.000   35.946   21.083   35.946   21.083 -0.000000 0.000000 
1 1 1  -50    0    9 o   22.574   11.144 -151.1516  165.220 -151.1516  165.220 -151.1516  165.220   22.574   15.760   22.574   15.760 -0.000000 0.000000 
1 1 1  -50    0   10 o   31.422   14.027   37.571  168.572   37.571  168.572   37.571  168.572   31.422   19.837   31.422   19.837 -0.000000 0.000000 
1 1 1  -50    0   11 o   64.011   17.402  371.676  189.346  371.676  189.346  371.676  189.346   64.011   24.610   64.011   24.610 -0.000000 0.000000 
1 1 1  -50    2    1 o  121.468   7.1316  959.896  109.841  912.818  156.724  1005.34  153.989  118.445   10.419  124.492   9.7402 -6.047668 14.26313 
1 1 1  -50    2    2 o   51.230   12.933  152.310  107.058  102.352  142.922  216.176  161.597   45.480   17.521   56.980   19.027 -11.50091 25.86517 
1 1 1  -50    2    3 o  145.468   6.4180  1369.77  117.391  1623.21  168.896  1132.92  163.277  158.696   8.3806  132.240   9.7226 26.45517 12.83606 
1 1 1  -50    2    4 o   56.542   12.829  204.559  108.239  120.150  147.925  301.832  158.798   47.486   17.938   65.599   18.345 -18.11364 25.65744 
1 1 1  -50    2    5 o   48.533   13.233  113.507  116.081   74.176  159.660  157.609  169.069   44.870   18.125   52.197   19.285 -7.326447 26.46518 
1 1 1  -50    2    6 o   36.878   11.584 -65.5229  112.311 -159.1885  157.343   31.775  160.365   31.767   14.983   41.988   17.673 -10.22086 23.16884 
1 1 1  -50    2    7 o   46.967   12.901  105.726  110.495  122.695  156.187   88.724  156.339   48.322   18.389   45.612   18.100 2.709770 25.80228 
1 1 1  -50    2    8 o   36.247   11.420 -106.3525  112.520 -240.8776  151.792   57.733  167.641   28.090   13.628   44.404   18.330 -16.31438 22.84094 
1 1 1  -50    2    9 o   48.442   13.686   92.534  125.924  150.216  197.195   52.817  163.630   53.277   20.565   43.608   18.064 9.668877 27.37206 
1 1 1  -50    2   10 o   62.979   14.085  262.135  129.126  384.757  196.163  168.376  171.530   73.010   20.380   52.948   19.447 20.06274 28.16961 
1 1 1  -50    2   11 o   68.531   20.735  338.545  195.873  338.545  195.873   0.0000   0.0000   68.531   20.735  ?   ?       ?      ? 
1 1 1  -50    4    1 o   44.264   12.085   62.962  106.089  190.486  149.599 -66.0480  150.469   53.697   18.305   34.831   15.782 18.86615 24.16905 
1 1 1  -50    4    2 o   58.427   12.832  237.440  105.171  250.033  141.092  221.692  157.772   59.750   17.483   57.103   18.788 2.647236 25.66393 
1 1 1  -50    4    3 o   65.444   12.254  302.022  103.410  297.865  143.803  306.473  148.811   65.016   17.164   65.871   17.494 -0.8557281 24.50864 
1 1 1  -50    4    4 o   43.984   12.477   69.850  107.477   22.004  147.948  123.317  156.395   39.774   16.870   48.195   18.386 -8.421494 24.95306 
1 1 1  -50    4    5 o   54.805   14.154  155.551  126.692  287.706  211.500   81.593  158.220   64.539   21.766   45.072   18.100 19.46725 28.30883 
1 1 1  -50    4    6 o   88.947   12.810  557.847  139.774  563.222  198.962  552.609  196.404   89.364   18.151   88.530   18.081 0.8338470 25.62002 
1 1 1  -50    4    7 o   52.845   13.536  169.156  115.425  191.183  180.432  153.897  150.173   55.308   20.001   50.383   18.243 4.925270 27.07126 
1 1 1  -50    4    8 o   49.363   13.471  117.367  120.387  184.390  181.311   64.520  160.999   54.720   20.010   44.005   18.041 10.71557 26.94177 
1 1 1  -50    4    9 o   47.407   15.432 -120.7635  159.695 -166.1495  176.148   88.703  378.419   33.729   15.891   61.085   26.459 -27.35629 30.86388 
1 1 1  -50    4   10 o   68.275   16.911  338.961  166.365  378.504  182.111  139.496  409.008   72.226   19.430   64.324   27.684 7.902908 33.82215 
1 1 1  -50    4   11 f   32.677   15.636 -220.0463  184.051 -220.0463  184.051   0.0000   0.0000   32.677   15.636  ?   ?       ?      ? 
1 1 1  -50    6    1 o   69.288   15.715  385.288  165.746  474.610  189.011   87.977  344.836   80.614   18.807   57.961   25.181 22.65302 31.42933 
1 1 1  -50    6    2 o   60.959   17.522  153.925  179.383   94.643  202.236  372.646  388.458   49.066   20.180   72.852   28.651 -23.78572 35.04414 
1 1 1  -50    6    3 o   58.125   15.793  206.143  170.394  304.004  190.983 -175.7448  377.274   64.773   20.621   51.478   23.926 13.29483 31.58551 
1 1 1  -50    6    4 o  140.115   12.854  1364.31  196.135  1361.17  226.644  1373.70  391.406  143.128   12.469  137.102   22.481 6.025940 25.70715 
1 1 1  -50    6    5 o   48.694   15.217   22.848  168.235   90.094  187.919 -248.6290  377.575   47.771   19.527   49.617   23.342 -1.846249 30.43300 
1 1 1  -50    6    6 o   63.937   16.451  288.835  178.627  376.312  203.564  -4.0273  372.467   71.303   21.038   56.571   25.296 14.73224 32.90148 
1 1 1  -50    6    7 o   84.599   19.262  490.705  205.859  402.759  234.085  790.834  432.434   73.158   22.767   96.041   31.077 -22.88342 38.52431 
1 1 1  -50    6    8 o   76.081   30.462  418.444  446.666   0.0000   0.0000  418.444  446.666  ?   ?    76.081   30.462      ?      ? 
1 1 1  -50    6    9 o   44.874   15.363 -304.1170  198.370 -354.0601  222.494 -110.5545  438.018   33.123   16.165   56.626   26.129 -23.50381 30.72527 
1 1 1  -50    6   10 o   35.154   16.852 -249.2450  215.956 -249.2450  215.956   0.0000   0.0000   35.154   16.852  ?   ?       ?      ? 
1 1 1  -50    8    1 o   69.377   13.882  364.697  152.936  615.498  207.157   64.251  226.735   90.815   18.588   47.938   20.622 42.87677 27.76340 
1 1 1  -50    8    2 o  ?   ?  -1026.9270  139.531 -1067.8090  196.044 -984.9597  198.633  ?   ?   ?   ?       ?      ? 
1 1 1  -50    8    3 o   49.346   14.446   60.981  160.163  236.617  222.954 -126.3099  230.232   58.505   22.040   40.186   18.682 18.31894 28.89235 
1 1 1  -50    8    4 o   28.422   14.312 -805.6515  158.796 -926.1539  214.354 -659.0829  236.404  ?   ?    28.422   14.312      ?      ? 
1 1 1  -50    8    5 o   32.433   11.256 -365.4417  155.509 -369.1645  203.931 -360.2692  240.382   30.447   14.985   34.420   16.799 -3.972372 22.51122 
1 1 1  -50    8    6 o   27.944   9.9404 -628.5509  158.576 -820.8776  229.346 -452.3857  219.498   25.591   13.017   30.297   15.027 -4.706299 19.88084 
1 1 1  -50    8    7 o   28.848   14.514 -1077.1150  162.158 -1432.7480  219.835 -652.6685  240.163  ?   ?    28.848   14.514      ?      ? 
1 1 1  -50    8    8 o   28.476   14.165 -441.4521  200.768 -441.4521  200.768   0.0000   0.0000   28.476   14.165  ?   ?       ?      ? 
1 1 1  -50   10    1 o   48.905   14.347  123.695  147.572  205.893  217.733   53.853  200.703   53.820   21.360   43.989   19.161 9.830940 28.69432 
1 1 1  -50   10    2 o   41.815   12.793   29.457  126.726  116.154  186.096 -45.5102  173.050   46.808   19.317   36.822   16.777 9.986004 25.58533 
1 1 1  -50   10    3 o   46.299   13.944   88.825  143.111   63.774  223.520  106.229  186.304   46.303   20.193   46.295   19.234 0.8007050E-02 27.88760 
1 1 1  -50   10    4 o   44.354   13.649   31.473  146.082  137.800  215.337 -59.1793  198.832   49.906   20.702   38.803   17.794 11.10294 27.29838 
1 1 1  -50   10    5 f   46.508   13.769   72.158  140.278  207.405  210.870 -35.2082  187.882   54.174   21.167   38.842   17.614 15.33187 27.53699 
1 1 1  -50   10    6 o   42.994   13.495   19.747  144.152   19.258  230.808   20.060  184.578   44.761   19.971   41.226   18.154 3.535103 26.98944 
1 1 1  -50   10    7 o   46.475   21.011   7.6303  264.954   7.6303  264.954   0.0000   0.0000   46.475   21.011  ?   ?       ?      ? 
1 1 1  -50   12    3 o   44.093   13.956   34.601  163.930 -89.3609  223.856  177.954  240.727   38.042   17.920   50.144   21.401 -12.10149 27.91286 
1 1 1  -50   12    4 o   32.262   11.159 -270.3926  152.481 -288.8059  217.216 -252.5041  214.098   31.961   15.677   32.563   15.884 -0.6019573 22.31745 
1 1 1  -50   12    5 o   44.959   19.183  112.187  193.323  112.187  193.323   0.0000   0.0000   44.959   19.183  ?   ?       ?      ? 
1 1 1  -49    1    1 o   85.997   10.287  492.937  109.971  462.043  151.099  527.734  160.359   82.469   14.979   89.526   14.105 -7.057114 20.57488 
1 1 1  -49    1    2 o  102.646   9.1513  689.223  118.130  689.319  156.675  689.096  179.830  102.867   11.994  102.425   13.825 0.4414978 18.30265 
1 1 1  -49    1    3 o   93.680   9.4270  574.989  112.049  582.095  155.839  567.384  161.220   94.348   13.007   93.012   13.649 1.336273 18.85393 
1 1 1  -49    1    4 o   51.499   12.948  154.939  108.672  209.575  152.441   98.482  154.961   56.433   18.463   46.564   18.159 9.868378 25.89642 
1 1 1  -49    1    5 o   68.644   12.227  330.372  108.925  235.092  157.759  417.174  150.577   59.154   18.732   78.134   15.720 -18.98018 24.45401 
1 1 1  -49    1    6 o   67.181   13.029  314.102  114.544  298.584  166.728  327.974  157.635   65.659   18.946   68.703   17.891 -3.043732 26.05804 
1 1 1  -49    1    7 o   34.008   11.185 -157.1456  119.943 -60.0222  166.618 -261.6108  172.800   37.607   16.860   30.410   14.702 7.197014 22.36995 
1 1 1  -49    1    8 o   63.961   13.367  278.649  120.382  376.319  170.292  181.082  170.202   73.378   18.328   54.543   19.461 18.83527 26.73321 
1 1 1  -49    1    9 o   53.214   13.594  168.705  117.655  165.319  161.323  172.553  171.966   52.575   18.927   53.854   19.518 -1.279243 27.18802 
1 1 1  -49    1   10 o   82.254   11.586  461.541  118.635  529.723  168.164  393.986  167.389   89.435   14.806   75.073   17.824 14.36211 23.17146 
1 1 1  -49    1   11 o   52.803   12.433  108.723  119.612 -109.3310  164.430  353.785  174.316   34.820   16.047   70.786   18.996 -35.96632 24.86619 
1 1 1  -49    1   12 o   44.110   12.829   37.410  120.849 -61.9800  171.598  135.212  170.223   37.872   17.034   50.348   19.188 -12.47647 25.65836 
1 1 1  -49    1   13 o   68.383   12.873  311.632  134.223   49.455  189.253  576.974  190.392   45.815   19.236   90.951   17.112 -45.13592 25.74608 
1 1 1  -49    3    1 o   68.128   11.925  323.734  102.547  337.909  139.839  307.245  150.830   69.892   16.088   66.363   17.607 3.529152 23.85034 
1 1 1  -49    3    2 o   99.418   8.7072  647.760  109.567  596.418  156.338  697.320  153.600   95.397   12.905  103.440   11.693 -8.043091 17.41442 
1 1 1  -49    3    3 o   75.956   10.849  425.121  106.393  670.641  145.674  144.449  155.754  101.549   11.296   50.364   18.526 51.18581 21.69854 
1 1 1  -49    3    4 o   42.468   13.087 -72.3317  132.732  107.603  218.460 -177.6250  167.114   52.472   21.199   32.465   15.351 20.00777 26.17365 
1 1 1  -49    3    5 o   55.012   12.937  197.040  106.907  234.299  147.085  155.311  155.658   58.684   18.012   51.339   18.576 7.344738 25.87425 
1 1 1  -49    3    6 o   53.222   12.691  162.495  110.446  286.368  156.839   40.637  155.558   64.229   18.327   42.216   17.561 22.01276 25.38217 
1 1 1  -49    3    7 o   54.407   13.562  182.808  116.813  160.216  163.307  206.477  167.156   52.235   19.007   56.579   19.349 -4.343857 27.12303 
1 1 1  -49    3    8 o   50.611   13.377  141.693  115.563  158.890  153.082  118.908  176.211   51.432   18.445   49.789   19.378 1.643200 26.75323 
1 1 1  -49    3    9 o   35.624   11.437 -87.2451  114.586 -20.7595  151.635 -175.7536  174.955   37.751   16.543   33.497   15.798 4.254730 22.87488 
1 1 1  -49    3   10 o   72.430   12.471  377.460  116.785  486.683  159.048  249.672  172.034   84.306   15.424   60.554   19.602 23.75158 24.94276 
1 1 1  -49    3   11 o   59.770   13.429  236.918  116.612  166.101  157.866  321.964  172.999   52.114   18.727   67.426   19.251 -15.31168 26.85702 
1 1 1  -49    3   12 o   56.897   14.249  208.314  129.274  181.484  186.814  232.966  179.072   54.894   20.273   58.899   20.027 -4.005100 28.49749 
1 1 1  -49    3   13 o   70.015   20.521  355.301  194.253  355.301  194.253   0.0000   0.0000   70.015   20.521  ?   ?       ?      ? 
1 1 1  -49    5    1 o   43.192   12.028   45.888  104.902 -68.3023  144.633  172.635  152.378   34.049   15.446   52.336   18.441 -18.28652 24.05532 
1 1 1  -49    5    2 o  138.826   6.8028  1252.55  119.338  1286.38  162.310  1212.73  176.068  141.033   9.0625  136.620   10.148 4.412491 13.60567 
1 1 1  -49    5    3 o   41.102   11.928   41.245  100.893  -6.4832  137.900   96.224  148.005   36.788   15.953   45.416   17.736 -8.627499 23.85563 
1 1 1  -49    5    4 o   97.449   9.0024  632.403  109.738  695.555  148.444  556.302  162.954  103.232   11.323   91.666   13.998 11.56554 18.00475 
1 1 1  -49    5    5 o   40.340   11.852 -29.4129  107.835 -155.7419  141.428  146.021  166.664   29.663   14.054   51.018   19.088 -21.35559 23.70365 
1 1 1  -49    5    6 o   54.219   12.515  187.367  108.546  293.709  145.278   52.981  163.315   64.764   17.325   43.674   18.065 21.09088 25.03048 
1 1 1  -49    5    7 o   71.078   12.496  350.295  112.767  284.000  151.840  431.833  168.395   63.641   17.989   78.515   17.351 -14.87460 24.99290 
1 1 1  -49    5    8 o   40.146   18.213 -85.3780  201.171 -85.3780  201.171   0.0000   0.0000   40.146   18.213  ?   ?       ?      ? 
1 1 1  -49    5    9 o   76.984   13.824  422.122  133.129  439.309  212.930  411.092  170.581   77.761   21.048   76.207   17.926 1.553993 27.64711 
1 1 1  -49    5   10 o   46.989   13.767   47.885  132.802  149.155  214.242 -15.3083  169.238   54.100   21.277   39.878   17.476 14.22231 27.53404 
1 1 1  -49    5   11 o   48.492   15.950 -187.4320  170.600 -254.3405  187.167  141.105  414.745   32.092   15.462   64.891   27.902 -32.79842 31.90021 
1 1 1  -49    5   12 o   57.067   20.642  211.757  192.187  211.757  192.187   0.0000   0.0000   57.067   20.642  ?   ?       ?      ? 
1 1 1  -49    7    1 o   77.220   13.530  535.355  180.033  780.483  201.903 -415.8366  397.722  107.360   14.809   47.081   22.647 60.27897 27.05905 
1 1 1  -49    7    2 o   76.849   17.770  353.893  166.604  275.534  185.226  685.849  381.241   62.277   20.351   91.422   29.137 -29.14560 35.54084 
1 1 1  -49    7    3 o  158.896   11.292  1583.43  203.342  1431.00  234.720  2041.97  407.096  146.839   12.587  170.954   18.752 -24.11581 22.58456 
1 1 1  -49    7    4 o   56.961   17.056   68.410  171.548   14.004  190.584  300.672  393.777   43.551   18.820   70.371   28.451 -26.81977 34.11237 
1 1 1  -49    7    5 o   59.689   17.534  165.018  189.700  181.202  211.835   99.492  426.246   55.796   21.372   63.582   27.802 -7.785065 35.06742 
1 1 1  -49    7    6 o   55.802   16.960   99.964  189.923  130.524  213.036 -18.3947  419.251   52.415   21.019   59.188   26.624 -6.773308 33.92090 
1 1 1  -49    7    7 o   71.340   18.426  372.327  209.892  424.725  239.041  195.927  438.595   75.216   22.940   67.465   28.842 7.751236 36.85251 
1 1 1  -49    7    8 o   95.272   17.899  581.118  195.222  443.499  222.157  1047.65  409.036   76.958   21.761  113.585   28.425 -36.62708 35.79861 
1 1 1  -49    7    9 o   51.839   16.717 -192.7294  198.042 -319.6886  223.378  273.623  428.120   34.167   16.566   69.512   29.042 -35.34480 33.43418 
1 1 1  -49    7   10 o   52.719   16.903 -22.8267  209.573 -35.3573  239.431   18.224  433.367   45.306   20.269   60.133   27.056 -14.82660 33.80624 
1 1 1  -49    9    1 o   49.957   13.298   0.7996  154.423  365.482  209.125 -436.4895  228.999   68.404   21.557   31.511   15.578 36.89330 26.59648 
1 1 1  -49    9    2 o  ?   ?  -808.0895  146.035 -802.5414  203.709 -813.9553  209.459  ?   ?   ?   ?       ?      ? 
1 1 1  -49    9    3 o   38.007   17.737 -457.2260  147.859 -769.3552  207.499 -135.2470  210.748  ?   ?    38.007   17.737      ?      ? 
1 1 1  -49    9    4 o   32.886   11.436 -386.0942  161.504 -372.1795  207.441 -407.5089  257.344   30.774   15.139   34.998   17.145 -4.224516 22.87258 
1 1 1  -49    9    5 o   43.168   13.659 -51.2069  153.464 -140.0689  201.180   72.467  237.337   36.873   17.248   49.463   21.183 -12.58919 27.31717 
1 1 1  -49    9    6 o   40.068   12.915 -212.0181  149.528 -421.8972  190.761  122.428  240.807   27.836   13.840   52.301   21.810 -24.46484 25.83062 
1 1 1  -49    9    7 o   37.963   12.524 -323.4588  156.857 -627.2242  207.605   80.631  239.445   26.023   13.142   49.904   21.322 -23.88029 25.04702 
1 1 1  -49    9    8 o  ?   ?  -970.8820  158.916 -972.0364  223.598 -969.7037  225.900  ?   ?   ?   ?       ?      ? 
1 1 1  -49    9    9 o  197.571   11.985  2632.13  300.698  2632.13  300.698   0.0000   0.0000  197.571   11.985  ?   ?       ?      ? 
1 1 1  -49   11    1 f   33.697   11.438 -199.3008  141.780 -180.8137  195.289 -219.9049  206.167   33.745   16.136   33.648   16.216 0.9683990E-01 22.87612 
1 1 1  -49   11    2 o   42.225   13.285 -36.6060  150.527  141.206  218.242 -197.9470  207.889   49.901   20.782   34.548   16.554 15.35274 26.56937 
1 1 1  -49   11    3 o   55.310   15.101  223.924  150.812  271.231  219.379  181.536  207.662   58.546   21.900   52.075   20.799 6.470848 30.20265 
1 1 1  -49   11    4 o   40.002   13.297 -149.2663  171.063 -244.3015  227.316 -25.1717  259.755   35.158   16.965   44.846   20.480 -9.687614 26.59405 
1 1 1  -49   11    5 o   42.665   13.929 -65.9855  170.516 -104.6245  216.598  -3.0064  276.528   38.559   17.990   46.772   21.271 -8.212330 27.85866 
1 1 1  -49   11    6 o   37.867   12.819 -185.0603  163.949 -182.8029  200.490 -189.6166  284.836   34.363   16.408   41.371   19.700 -7.008396 25.63867 
1 1 1  -49   11    7 o   61.314   21.658  308.830  210.299  308.830  210.299   0.0000   0.0000   61.314   21.658  ?   ?       ?      ? 
1 1 1  -48    0    1 o   26.841   12.410 -13.7348  147.556 -13.7348  147.556 -13.7348  147.556   26.841   17.550   26.841   17.550 -0.000000 0.000000 
1 1 1  -48    0    2 o   74.276   13.130  416.374  151.519  416.374  151.519  416.374  151.519   74.276   18.568   74.276   18.568 -0.000000 0.000000 
1 1 1  -48    0    3 o  144.320   6.1593  1344.33  158.311  1344.33  158.311  1344.33  158.311  144.320   8.7105  144.320   8.7105 -0.000000 0.000000 
1 1 1  -48    0    4 o   26.464   12.346 -27.1435  151.096 -27.1435  151.096 -27.1435  151.096   26.464   17.460   26.464   17.460 -0.000000 0.000000 
1 1 1  -48    0    5 o   52.124   16.398  256.544  162.540  256.544  162.540  256.544  162.540   52.124   23.191   52.124   23.191 -0.000000 0.000000 
1 1 1  -48    0    6 o  114.356   8.3146  864.588  166.625  864.588  166.625  864.588  166.625  114.356   11.759  114.356   11.759 -0.000000 0.000000 
1 1 1  -48    0    7 o   26.268   12.379 -44.6166  158.377 -44.6166  158.377 -44.6166  158.377   26.268   17.507   26.268   17.507 -0.000000 0.000000 
1 1 1  -48    0    8 o  201.134   5.2573  2590.20  189.316  2590.20  189.316  2590.20  189.316  201.134   7.4349  201.134   7.4349 -0.000000 0.000000 
1 1 1  -48    0    9 o   65.058   16.112  361.186  170.519  361.186  170.519  361.186  170.519   65.058   22.785   65.058   22.785 -0.000000 0.000000 
1 1 1  -48    0   10 o   27.627   13.024 -48.2098  175.516 -48.2098  175.516 -48.2098  175.516   27.627   18.418   27.627   18.418 -0.000000 0.000000 
1 1 1  -48    0   11 o   36.053   15.022  102.421  165.830  102.421  165.830  102.421  165.830   36.053   21.244   36.053   21.244 -0.000000 0.000000 
1 1 1  -48    0   12 o  111.527   9.1828  833.023  177.417  833.023  177.417  833.023  177.417  111.527   12.986  111.527   12.986 -0.000000 0.000000 
1 1 1  -48    0   13 o   46.590   17.126  214.001  186.191  214.001  186.191  214.001  186.191   46.590   24.221   46.590   24.221 -0.000000 0.000000 
1 1 1  -48    0   14 o   30.983   14.128   11.165  182.266   11.165  182.266   11.165  182.266   30.983   19.980   30.983   19.980 -0.000000 0.000000 
1 1 1  -48    0   15 o   46.049   17.761  209.037  208.580  209.037  208.580  209.037  208.580   46.049   25.117   46.049   25.117 -0.000000 0.000000 
1 1 1  -48    2    1 o   55.131   11.781  171.474   98.868   42.719  130.724  343.554  151.126   39.684   16.261   70.577   17.052 -30.89370 23.56272 
1 1 1  -48    2    2 o   70.705   11.943  345.656  106.382  289.036  151.838  400.246  149.093   64.807   17.871   76.603   15.849 -11.79510 23.88647 
1 1 1  -48    2    3 o   58.577   12.177  211.598  110.106   40.626  155.496  383.526  155.931   42.432   17.596   74.722   16.836 -32.29041 24.35313 
1 1 1  -48    2    4 o   95.565   9.1662  594.085  109.879  723.645  159.923  478.230  151.227  105.609   11.924   85.522   13.924 20.08720 18.33238 
1 1 1  -48    2    5 o   66.644   12.305  310.909  112.577  155.254  165.599  444.659  153.505   52.308   19.124   80.980   15.491 -28.67186 24.61092 
1 1 1  -48    2    6 o   84.706   10.612  476.253  111.511  427.892  152.728  531.468  163.192   79.328   15.716   90.084   14.265 -10.75571 21.22470 
1 1 1  -48    2    7 o   87.553   10.433  510.153  113.463  480.661  159.588  540.299  161.348   84.243   15.488   90.864   13.983 -6.621422 20.86615 
1 1 1  -48    2    8 o   71.615   12.518  355.400  113.501  319.259  161.655  390.540  159.398   67.926   18.320   75.304   17.063 -7.377434 25.03541 
1 1 1  -48    2    9 o   89.592   11.423  542.883  125.048  394.549  172.805  705.943  181.180   75.354   18.251  103.830   13.741 -28.47593 22.84557 
1 1 1  -48    2   10 o   52.286   12.883  116.098  117.579 -34.4266  156.869  309.080  177.621   37.779   16.681   66.793   19.636 -29.01318 25.76519 
1 1 1  -48    2   11 o   50.135   13.579  125.960  119.899  113.962  158.339  142.086  183.570   48.038   18.459   52.232   19.921 -4.194271 27.15861 
1 1 1  -48    2   12 o   70.057   13.236  347.518  122.223  421.518  167.888  264.076  178.277   77.839   17.419   62.274   19.933 15.56544 26.47189 
1 1 1  -48    2   13 o   54.835   14.162  178.666  128.360  200.760  186.571  158.808  176.874   56.832   20.365   52.837   19.684 3.994389 28.32316 
1 1 1  -48    2   14 f   51.769   14.082  141.140  130.436  138.441  184.023  143.866  184.909   51.534   19.874   52.004   19.956 -0.4702454 28.16370 
1 1 1  -48    2   15 o   54.342   20.521  170.926  193.556   0.0000   0.0000  170.926  193.556  ?   ?    54.342   20.521      ?      ? 
1 1 1  -48    4    1 o  103.273   8.6272  684.604  112.187  612.937  147.452  783.117  172.878   97.006   11.969  109.541   12.428 -12.53529 17.25434 
1 1 1  -48    4    2 f   77.264   10.938  424.043  104.161  569.200  141.876  254.320  153.412   93.520   11.946   61.007   18.326 32.51291 21.87613 
1 1 1  -48    4    3 o   78.703   11.094  414.076  106.205  352.455  139.454  499.173  163.879   71.704   15.746   85.702   15.634 -13.99793 22.18860 
1 1 1  -48    4    4 o   97.632   9.2408  624.221  114.174  567.150  161.760  680.878  161.173   93.041   13.690  102.224   12.415 -9.182930 18.48170 
1 1 1  -48    4    5 o   43.244   12.611   44.673  113.241   2.3934  161.344   85.721  158.977   40.509   17.410   45.979   18.250 -5.469452 25.22286 
1 1 1  -48    4    6 o   84.028   10.930  469.826  113.703  398.651  153.970  555.198  168.630   76.172   16.402   91.883   14.452 -15.71038 21.86051 
1 1 1  -48    4    7 o  135.449   7.3352  1175.92  125.520  1082.38  167.426  1295.95  189.672  129.399   10.189  141.499   10.555 -12.09976 14.67049 
1 1 1  -48    4    8 o  105.405   9.4720  736.914  124.859  797.111  167.549  661.734  187.244  110.646   11.924  100.164   14.720 10.48111 18.94396 
1 1 1  -48    4    9 o  114.684   8.7408  875.172  123.922  1082.81  173.569  659.284  176.985  129.254   10.574  100.113   13.921 29.14034 17.48163 
1 1 1  -48    4   10 o   52.964   13.677  162.785  120.114  134.700  167.649  192.405  172.173   50.383   19.081   55.545   19.599 -5.161907 27.35340 
1 1 1  -48    4   11 o   64.154   13.495  281.860  119.281  351.320  174.907  221.469  163.090   70.594   19.063   57.715   19.108 12.87903 26.99085 
1 1 1  -48    4   12 o   79.972   12.142  446.143  119.631  434.257  167.870  458.408  170.530   78.839   17.247   81.104   17.096 -2.264740 24.28397 
1 1 1  -48    4   13 o   42.176   13.230 -32.2565  138.761 -70.4773  223.775  -8.3791  176.871   43.137   19.423   41.214   17.969 1.923115 26.45965 
1 1 1  -48    4   14 f  109.635   11.451  835.889  152.399  695.121  222.507  960.276  209.160   99.183   18.341  120.088   13.715 -20.90492 22.90206 
1 1 1  -48    6    1 o  194.579   5.1656  2417.05  126.878  2305.50  168.904  2561.51  192.212  189.543   7.0170  199.614   7.5825 -10.07077 10.33117 
1 1 1  -48    6    2 o   53.469   12.167  173.275  105.975  305.895  145.099   21.651  155.147   66.179   17.131   40.760   17.281 25.41934 24.33353 
1 1 1  -48    6    3 o   43.921   12.585   65.298  109.320   41.970  149.725   91.934  159.988   41.564   17.254   46.278   18.327 -4.713951 25.17092 
1 1 1  -48    6    4 o  132.814   7.1694  1160.43  118.296  1244.42  155.797  1046.08  181.784  138.901   8.8324  126.727   11.296 12.17422 14.33880 
1 1 1  -48    6    5 o   43.228   12.253   51.958  109.956  144.370  143.021 -81.6146  171.947   49.380   17.815   37.075   16.827 12.30520 24.50572 
1 1 1  -48    6    6 o   87.971   10.698  515.474  114.898  387.304  154.304  674.977  172.134   74.675   16.691  101.268   13.385 -26.59300 21.39508 
1 1 1  -48    6    7 o  178.113   5.8807  2049.92  131.088  2084.00  172.271  2003.04  202.040  180.105   7.5320  176.122   9.0333 3.983078 11.76141 
1 1 1  -48    6    8 o   59.222   13.547  238.374  116.204  249.928  157.096  224.414  172.682   60.236   18.636   58.208   19.667 2.027699 27.09426 
1 1 1  -48    6    9 o   40.379   12.072   10.578  110.863   85.991  147.875 -86.2078  167.524   44.561   17.629   36.197   16.498 8.363964 24.14462 
1 1 1  -48    6   10 o   65.604   13.842  310.863  139.228   84.959  223.122  454.916  178.173   50.927   21.095   80.281   17.929 -29.35455 27.68473 
1 1 1  -48    6   11 o   56.214   14.599  196.170  137.060  129.635  225.621  235.084  172.546   53.630   21.587   58.798   19.661 -5.167652 29.19851 
1 1 1  -48    6   12 o   64.191   18.538  214.767  209.631  224.893  235.573  176.238  459.517   60.188   22.659   68.195   29.347 -8.007088 37.07672 
1 1 1  -48    8    1 o   95.708   16.195  796.094  176.204  882.213  195.744  428.196  404.579  114.889   13.416   76.526   29.480 38.36294 32.38903 
1 1 1  -48    8    2 o   76.560   16.386  492.243  193.360  628.840  218.731   3.7746  413.627   93.512   19.065   59.609   26.656 33.90316 32.77209 
1 1 1  -48    8    3 o  133.436   15.791  1449.87  189.076  1544.75  210.249  1048.70  432.329  153.530   10.784  113.341   29.684 40.18864 31.58208 
1 1 1  -48    8    4 o   77.344   18.165  479.125  207.351  556.311  229.168  130.674  486.919   86.993   20.986   67.695   29.655 19.29784 36.32970 
1 1 1  -48    8    5 o   49.879   16.430 -112.0403  200.646 -110.2124  223.409 -119.6636  456.247   41.165   18.872   58.593   26.901 -17.42832 32.86054 
1 1 1  -48    8    6 o   56.846   17.448   90.452  190.859  100.244  210.341   44.815  454.094   50.404   20.638   63.288   28.140 -12.88313 34.89675 
1 1 1  -48    8    7 o   49.071   16.091 -114.8289  198.680 -125.9461  225.739 -76.6170  418.514   40.727   18.780   57.416   26.134 -16.68861 32.18181 
1 1 1  -48    8    8 o   76.444   19.854  368.021  217.812  291.351  246.397  642.138  465.899   64.920   23.389   87.967   32.090 -23.04787 39.70852 
1 1 1  -48    8    9 o   48.738   16.481 -308.8282  235.087 -387.1578  271.004 -70.6734  472.544   37.337   18.136   60.139   27.525 -22.80225 32.96227 
1 1 1  -48    8   10 o   52.707   17.436 -135.8419  249.247 -133.6232  285.890 -142.8711  508.859   45.660   21.083   59.754   27.777 -14.09409 34.87204 
1 1 1  -48    8   11 o   47.932   21.250  -5.6924  257.129  -5.6924  257.129   0.0000   0.0000   47.932   21.250  ?   ?       ?      ? 
1 1 1  -48   10    1 o   34.974   11.878 -282.5133  158.169 -122.1703  213.846 -476.1790  235.019   38.643   17.978   31.305   15.530 7.337093 23.75694 
1 1 1  -48   10    2 o  ?   ?  -936.7130  148.617 -1018.8720  198.927 -832.9290  223.579  ?   ?   ?   ?       ?      ? 
1 1 1  -48   10    3 o   28.985   10.279 -540.0724  149.281 -686.5021  195.752 -336.5592  230.775   23.960   12.172   34.010   16.568 -10.04972 20.55882 
1 1 1  -48   10    4 o   36.225   17.394 -570.0411  151.059 -798.3777  198.873 -258.6323  232.249  ?   ?    36.225   17.394      ?      ? 
1 1 1  -48   10    5 o   44.684   13.815 -164.8651  152.370 -367.6618  185.837  251.103  266.153   28.454   14.061   60.913   23.786 -32.45890 27.63091 
1 1 1  -48   10    6 f   43.566   13.698 -44.3757  161.646   97.073  206.709 -267.0384  259.349   48.588   20.230   38.543   18.474 10.04477 27.39569 
1 1 1  -48   10    7 o  ?   ?  -986.3084  177.338 -919.4957  230.561 -1083.0940  277.499  ?   ?   ?   ?       ?      ? 
1 1 1  -48   10    8 o   31.021   15.452 -842.4660  196.639 -530.0841  242.308 -1445.0170  336.528   31.021   15.452  ?   ?       ?      ? 
1 1 1  -48   10    9 o  210.850   10.202  3371.96  239.088  3971.21  296.471  2257.32  404.338  245.281   9.5179  176.419   18.048 68.86176 20.40367 
1 1 1  -48   12    1 o   43.659   13.737 -12.7094  142.701 -101.1690  171.677  185.040  256.683   34.007   15.915   53.312   22.394 -19.30482 27.47378 
1 1 1  -48   12    2 o   43.054   14.209 -172.3396  175.972 -331.3314  212.939  170.111  312.512   31.395   15.424   54.712   23.868 -23.31688 28.41794 
1 1 1  -48   12    3 o   36.488   12.236 -204.3262  161.644 -23.5517  201.915 -526.9515  269.742   40.279   18.263   32.698   16.290 7.580769 24.47273 
1 1 1  -48   12    4 f   68.141   16.821  407.647  174.543  400.778  214.077  421.269  301.456   68.596   21.831   67.686   25.597 0.9101791 33.64272 
1 1 1  -48   12    5 o   50.302   15.155   71.030  159.251 -34.8758  190.230  319.112  291.148   38.811   17.648   61.792   24.644 -22.98070 30.31094 
1 1 1  -48   12    6 o   45.023   14.068   46.221  156.472   57.798  203.300   29.397  245.078   44.302   19.291   45.743   20.482 -1.440971 28.13647 
1 1 1  -48   12    7 o   29.123   14.525 -460.6989  216.972 -460.6989  216.972   0.0000   0.0000   29.123   14.525  ?   ?       ?      ? 
1 1 1  -47    1    1 o   41.492   11.099   4.7871   98.272  194.482  138.165 -189.4318  139.803   54.623   17.555   28.361   13.586 26.26137 22.19782 
1 1 1  -47    1    2 o   65.589   12.351  292.732  104.717  263.570  143.029  326.422  153.734   62.214   17.415   68.963   17.519 -6.749271 24.70229 
1 1 1  -47    1    3 f   41.397   11.918   23.292  104.327 -74.3739  146.806  122.940  148.287   34.459   15.603   48.336   18.020 -13.87697 23.83680 
1 1 1  -47    1    4 o   41.428   12.017   10.720  109.614  125.683  150.106 -120.6273  160.446   48.731   18.138   34.124   15.770 14.60684 24.03471 
1 1 1  -47    1    5 f  127.887   7.0150  1052.08  113.909  1064.01  162.916  1040.67  159.327  128.587   9.9767  127.188   9.8643 1.399422 14.02997 
1 1 1  -47    1    6 o  123.907   7.4108  993.303  115.784  856.353  163.309  1131.72  164.180  115.162   11.167  132.652   9.7460 -17.49013 14.82158 
1 1 1  -47    1    7 o   61.843   12.977  251.761  112.090  171.650  153.970  342.095  163.499   53.173   18.551   70.513   18.151 -17.34067 25.95345 
1 1 1  -47    1    8 o   68.499   12.466  315.990  110.895  228.779  150.396  419.903  164.167   58.634   18.249   78.365   16.986 -19.73112 24.93143 
1 1 1  -47    1    9 o   91.377   9.8238  545.542  113.806  515.628  162.111  574.611  159.805   88.817   14.373   93.936   13.396 -5.118820 19.64767 
1 1 1  -47    1   10 o   91.773   10.295  563.955  115.013  687.820  163.682  443.155  161.643  102.899   12.526   80.648   16.343 22.25076 20.59090 
1 1 1  -47    1   11 o   57.636   13.566  213.312  117.238  254.091  165.574  172.310  166.026   61.453   19.152   53.819   19.219 7.634018 27.13213 
1 1 1  -47    1   12 o   36.225   11.629 -130.4731  123.380 -289.8637  180.854   8.2882  168.745   30.669   14.878   41.780   17.877 -11.11102 23.25815 
1 1 1  -47    1   13 o   67.206   13.972  315.721  128.323  261.655  192.363  359.073  172.251   62.685   20.752   71.728   18.713 -9.043056 27.94321 
1 1 1  -47    1   14 o  136.039   7.7004  1198.74  132.734  1240.03  195.560  1163.48  180.742  138.135   11.148  133.944   10.626 4.190903 15.40082 
1 1 1  -47    1   15 o   44.031   12.716   28.536  121.193  152.021  168.031 -105.3501  174.965   51.716   19.202   36.346   16.677 15.37032 25.43263 
1 1 1  -47    1   16 o   42.847   12.607  -0.3961  123.940 -158.4098  179.037  145.008  171.745   34.535   16.191   51.160   19.327 -16.62528 25.21314 
1 1 1  -47    1   17 o   76.896   21.530  434.918  218.576   0.0000   0.0000  434.918  218.576  ?   ?    76.896   21.530      ?      ? 
1 1 1  -47    3    1 o   88.882   9.1200  513.788  102.774  552.784  146.759  476.259  143.972   92.251   12.527   85.512   13.258 6.738335 18.24008 
1 1 1  -47    3    2 o   67.101   12.085  302.827  102.624  261.331  134.941  359.750  158.047   61.869   16.760   72.333   17.415 -10.46441 24.16932 
1 1 1  -47    3    3 o   42.269   12.605   17.265  118.343 -125.8686  204.734   89.086  145.026   39.439   18.075   45.098   17.572 -5.659115 25.20911 
1 1 1  -47    3    4 o   55.790   12.875  199.998  105.049  172.713  144.322  230.742  153.199   52.678   17.979   58.901   18.433 -6.222729 25.74922 
1 1 1  -47    3    5 o  101.128   8.8684  667.797  112.674  696.196  150.854  631.963  169.451  103.757   11.449   98.498   13.547 5.259010 17.73682 
1 1 1  -47    3    6 f  133.665   6.9668  1148.98  118.197  1102.41  164.475  1198.71  169.974  130.859   9.8973  136.472   9.8076 -5.612610 13.93360 
1 1 1  -47    3    7 o   61.277   12.874  253.906  109.859  186.172  158.925  315.893  152.033   54.757   18.861   67.797   17.529 -13.04026 25.74892 
1 1 1  -47    3    8 o   61.088   13.148  248.726  112.360  196.700  155.955  304.878  162.021   55.581   18.691   66.594   18.498 -11.01356 26.29673 
1 1 1  -47    3    9 o  104.880   9.0814  713.324  120.338  692.649  161.257  739.308  180.777  103.277   12.295  106.484   13.369 -3.206467 18.16287 
1 1 1  -47    3   10 o   75.734   13.030  394.021  125.017  313.768  170.943  486.301  183.304   67.416   19.098   84.053   17.731 -16.63641 26.05944 
1 1 1  -47    3   11 o   57.434   13.436  201.769  122.941  321.814  170.053   70.323  177.945   68.129   18.960   46.739   19.042 21.39023 26.87123 
1 1 1  -47    3   12 o   68.323   12.800  325.305  122.490  487.331  169.246  147.084  177.502   84.379   16.385   52.267   19.670 32.11182 25.60069 
1 1 1  -47    3   13 f   50.009   13.722  104.880  127.563   27.874  173.640  195.168  188.021   43.346   18.325   56.672   20.429 -13.32620 27.44348 
1 1 1  -47    3   14 o  127.111   12.359  1057.50  199.495   0.0000   0.0000  1057.50  199.495  ?   ?   127.111   12.359      ?      ? 
1 1 1  -47    3   15 o   58.285   13.902  211.439  128.102  102.908  177.673  328.939  184.870   48.474   19.277   68.097   20.037 -19.62277 27.80414 
1 1 1  -47    3   16 o   53.406   13.820   86.307  148.802 -194.4572  213.949  349.366  207.094   37.211   17.526   69.602   21.374 -32.39058 27.64070 
1 1 1  -47    5    1 o  211.744   4.8167  2878.60  128.361  2948.16  171.688  2790.44  193.285  214.773   6.2948  208.715   7.2923 6.057068 9.633401 
1 1 1  -47    5    2 o   77.561   11.139  410.076  105.167  410.100  139.638  410.044  159.860   77.866   14.659   77.256   16.775 0.6097565 22.27759 
1 1 1  -47    5    3 o  156.121   5.8803  1551.74  114.653  1496.56  148.061  1634.39  181.202  152.817   7.6294  159.425   8.9501 -6.607422 11.76064 
1 1 1  -47    5    4 o   65.369   12.107  298.704  102.484  342.604  136.315  241.633  155.426   70.825   15.579   59.912   18.537 10.91316 24.21395 
1 1 1  -47    5    5 o  121.544   7.7111  967.308  117.481  1091.24  161.635  828.519  171.051  130.117   9.7819  112.970   11.923 17.14691 15.42215 
1 1 1  -47    5    6 o  160.458   7.0085  1712.28  136.796  1885.03  176.021  1448.81  217.378  171.411   8.0862  149.505   11.449 21.90688 14.01701 
1 1 1  -47    5    7 o  257.324   4.6611  4257.62  150.612  4410.84  200.782  4060.46  227.753  262.798   6.0163  251.850   7.1211 10.94720 9.322266 
1 1 1  -47    5    8 o   31.628   10.522 -153.2477  108.254 -153.9804  148.217 -152.4100  158.486   30.879   14.557   32.377   15.197 -1.497921 21.04407 
1 1 1  -47    5    9 o   82.191   11.890  463.646  119.881  484.096  172.697  444.627  166.545   83.991   16.778   80.392   16.852 3.598740 23.78033 
1 1 1  -47    5   10 o   65.010   13.656  292.299  121.041  280.728  172.551  303.510  169.837   63.902   19.490   66.118   19.134 -2.215759 27.31256 
1 1 1  -47    5   11 o   51.982   13.265  150.883  115.839  228.430  164.564   74.722  163.088   58.559   19.184   45.404   18.326 13.15507 26.53097 
1 1 1  -47    5   12 o   46.138   13.222   75.465  120.972   48.943  176.936   98.745  165.770   44.927   18.712   47.350   18.686 -2.422462 26.44418 
1 1 1  -47    5   13 o  119.678   8.5935  938.751  130.436  935.852  189.108  941.382  180.147  119.403   12.472  119.953   11.826 -0.5501175 17.18703 
1 1 1  -47    5   14 o   34.753   11.412 -130.0736  121.318 -97.0680  172.017 -162.7377  171.125   36.174   16.575   33.332   15.691 2.842026 22.82423 
1 1 1  -47    5   15 o   49.243   19.947  100.508  193.952   0.0000   0.0000  100.508  193.952  ?   ?    49.243   19.947      ?      ? 
1 1 1  -47    7    1 o   85.695   10.641  507.039  107.501  538.054  135.436  454.225  176.736   90.774   11.749   80.616   17.744 10.15771 21.28131 
1 1 1  -47    7    2 o  140.017   6.4798  1259.10  113.936  1223.13  149.441  1309.03  176.077  137.793   8.5401  142.242   9.7476 -4.448669 12.95954 
1 1 1  -47    7    3 o  144.893   6.5163  1359.73  117.257  1377.62  151.452  1332.96  185.262  146.345   8.1493  143.441   10.170 2.904922 13.03253 
1 1 1  -47    7    4 o   86.543   11.334  532.992  116.309  615.935  149.783  407.024  184.588   97.106   12.146   75.981   19.140 21.12491 22.66858 
1 1 1  -47    7    5 o   98.840   9.6404  644.690  117.174  650.997  148.877  634.423  189.944   99.925   11.732   97.755   15.301 2.170006 19.28080 
1 1 1  -47    7    6 o  118.307   7.8410  913.764  116.801  941.571  156.856  879.156  174.990  120.539   10.247  116.075   11.871 4.463585 15.68208 
1 1 1  -47    7    7 o   68.133   12.654  324.341  111.428  281.564  156.505  368.317  158.683   63.625   18.355   72.640   17.426 -9.014736 25.30898 
1 1 1  -47    7    8 o   66.198   23.109  292.128  238.959  292.128  238.959   0.0000   0.0000   66.198   23.109  ?   ?       ?      ? 
1 1 1  -47    7    9 o   49.920   13.298  136.390  114.754  154.382  152.361  112.804  174.444   50.823   18.380   49.017   19.224 1.806316 26.59672 
1 1 1  -47    7   10 o   35.682   11.524 -109.6763  116.971 -181.7753  156.650 -18.8158  175.855   30.763   14.638   40.601   17.803 -9.838217 23.04815 
1 1 1  -47    7   11 o   42.078   12.607   15.061  120.580   91.401  162.585 -78.2557  179.755   46.196   18.418   37.961   17.220 8.235115 25.21422 
1 1 1  -47    7   12 f   62.943   14.462  242.546  138.585  434.954  217.371  110.777  179.886   76.977   21.441   48.909   19.413 28.06792 28.92397 
1 1 1  -47    7   13 o   40.462   12.918 -64.7335  139.535 -57.0839  213.598 -70.4281  184.294   42.325   19.024   38.600   17.480 3.725212 25.83524 
1 1 1  -47    9    1 o   60.493   15.096  223.418  186.150  430.237  205.891 -702.5772  435.660   76.320   20.714   44.665   21.967 31.65542 30.19249 
1 1 1  -47    9    2 o   87.001   17.830  564.969  173.738  564.099  188.937  569.738  442.127   89.388   17.269   84.613   31.200 4.774582 35.66057 
1 1 1  -47    9    3 o   62.686   16.586  243.505  201.380  402.254  225.312 -386.9458  449.008   73.741   22.223   51.631   24.627 22.11086 33.17100 
1 1 1  -47    9    4 f   88.839   18.066  640.364  195.818  684.970  211.728  376.584  514.878  100.169   16.644   77.510   32.070 22.65932 36.13221 
1 1 1  -47    9    5 o   70.757   20.019  213.547  213.321  133.842  233.796  609.725  521.242   54.170   21.915   87.345   33.508 -33.17572 40.03805 
1 1 1  -47    9    6 o   61.787   18.372  175.306  215.600  223.153  238.021 -43.3824  508.858   60.105   22.742   63.470   28.861 -3.364574 36.74435 
1 1 1  -47    9    7 o   46.183   15.615 -186.2805  198.137 -139.8546  217.421 -413.7229  481.235   39.347   18.245   53.019   25.346 -13.67231 31.22961 
1 1 1  -47    9    8 o   74.887   17.312  462.173  202.741  572.258  222.931 -64.3379  487.541   88.359   20.295   61.415   28.052 26.94344 34.62336 
1 1 1  -47    9    9 o   74.721   20.665   12.808  249.541 -224.4713  275.707  1087.90  586.867   42.064   19.837  107.378   36.257 -65.31386 41.32922 
1 1 1  -47    9   10 o   58.756   18.411   89.395  237.393  146.810  262.299 -170.5901  558.159   56.026   23.005   61.485   28.751 -5.458897 36.82165 
1 1 1  -47    9   11 o   48.169   16.513 -237.0907  236.045 -155.6358  255.428 -713.5239  617.747   42.059   19.594   54.278   26.584 -12.21822 33.02511 
1 1 1  -47   11    1 o  196.054   7.4038  2585.34  181.889  2951.44  252.202  2188.52  262.570  211.560   9.3872  180.548   11.452 31.01164 14.80756 
1 1 1  -47   11    2 o   41.783   12.778 -151.8570  156.223  190.889  203.114 -648.2946  244.448   54.299   20.896   29.267   14.713 25.03210 25.55638 
1 1 1  -47   11    3 o   27.939   10.065 -733.6399  167.826 -640.8489  199.431 -958.7999  310.660   24.947   12.631   30.932   15.673 -5.984911 20.12949 
1 1 1  -47   11    4 o   31.681   15.978 -1098.1021  163.426 -1208.3010  194.577 -834.1906  301.115  ?   ?    31.681   15.978      ?      ? 
1 1 1  -47   11    5 o   32.474   16.455 -1429.0330  186.757 -1593.3470  222.801 -1040.8180  342.464  ?   ?    32.474   16.455      ?      ? 
1 1 1  -47   11    6 o  ?   ?  -1110.4330  183.292 -839.0829  213.371 -1874.5050  358.044  ?   ?   ?   ?       ?      ? 
1 1 1  -47   11    7 f   49.425   13.972 -71.6325  191.168  339.247  224.464 -1156.6580  364.762   66.011   22.423   32.839   16.675 33.17181 27.94360 
1 1 1  -47   11    8 o  184.767   11.550  2630.56  236.239  3049.89  291.002  1820.05  404.573  213.868   10.715  155.666   20.466 58.20245 23.10076 
1 1 1  -47   11    9 o  277.630   7.7053  4810.50  256.736  4169.81  308.367  6257.93  463.487  251.028   9.6731  304.233   11.996 -53.20490 15.41056 
1 1 1  -47   13    1 o   32.198   14.790 -53.9366  138.137 -53.9366  138.137   0.0000   0.0000   32.198   14.790  ?   ?       ?      ? 
1 1 1  -47   13    2 o   33.207   14.997 -27.8811  134.592 -27.8811  134.592   0.0000   0.0000   33.207   14.997  ?   ?       ?      ? 
1 1 1  -47   13    3 o   44.018   17.448  117.658  145.128  117.658  145.128   0.0000   0.0000   44.018   17.448  ?   ?       ?      ? 
1 1 1  -47   13    4 o   55.666   17.628  242.425  139.715  242.425  139.715   0.0000   0.0000   55.666   17.628  ?   ?       ?      ? 
1 1 1  -47   13    5 o   74.547   15.972  420.841  146.652  420.841  146.652   0.0000   0.0000   74.547   15.972  ?   ?       ?      ? 
1 1 1  -47   13    6 o   45.686   17.936  133.977  151.994  133.977  151.994   0.0000   0.0000   45.686   17.936  ?   ?       ?      ? 
1 1 1  -47   13    7 o   38.997   18.248 -97.4393  225.528 -97.4393  225.528   0.0000   0.0000   38.997   18.248  ?   ?       ?      ? 
1 1 1  -46    0    1 o  276.204   4.4868  4864.23  222.303  4864.23  222.303  4864.23  222.303  276.204   6.3453  276.204   6.3453 -0.000000 0.000000 
1 1 1  -46    0    5 o  664.562   5.6933 28167.85  679.275 28167.85  679.275 28167.85  679.275  664.562   8.0515  664.562   8.0515 -0.000000 0.000000 
1 1 1  -46    0    6 o  595.659   5.2346 22616.76  559.786 22616.76  559.786 22616.76  559.786  595.659   7.4028  595.659   7.4028 -0.000000 0.000000 
1 1 1  -46    0    8 o   99.772   10.893  684.000  181.334  684.000  181.334  684.000  181.334   99.772   15.405   99.772   15.405 -0.000000 0.000000 
1 1 1  -46    0    9 o  104.130   9.9572  733.368  176.622  733.368  176.622  733.368  176.622  104.130   14.082  104.130   14.082 -0.000000 0.000000 
1 1 1  -46    0   10 o   15.646   8.1287 -429.8542  155.161 -429.8542  155.161 -429.8542  155.161   15.646   11.496   15.646   11.496 -0.000000 0.000000 
1 1 1  -46    0   12 o   76.910   13.690  447.389  163.548  447.389  163.548  447.389  163.548   76.910   19.361   76.910   19.361 -0.000000 0.000000 
1 1 1  -46    0   13 o  228.142   5.0370  3327.13  205.924  3327.13  205.924  3327.13  205.924  228.142   7.1233  228.142   7.1233 -0.000000 0.000000 
1 1 1  -46    0   14 o   95.150   10.933  627.907  172.029  627.907  172.029  627.907  172.029   95.150   15.462   95.150   15.462 -0.000000 0.000000 
1 1 1  -46    0   15 o   36.116   15.521   86.092  187.924   86.092  187.924   86.092  187.924   36.116   21.951   36.116   21.951 -0.000000 0.000000 
1 1 1  -46    0   16 o   52.189   17.391  266.196  183.813  266.196  183.813  266.196  183.813   52.189   24.594   52.189   24.594 -0.000000 0.000000 
1 1 1  -46    0   17 o   25.215   12.326 -138.7587  189.490 -138.7587  189.490 -138.7587  189.490   25.215   17.432   25.215   17.432 -0.000000 0.000000 
1 1 1  -46    0   18 o   29.903   14.013 -34.0640  198.193 -34.0640  198.193 -34.0640  198.193   29.903   19.817   29.903   19.817 -0.000000 0.000000 
1 1 1  -46    2    1 o   51.096   12.058  158.624   97.869  236.519  130.626   58.940  147.770   59.126   16.675   43.065   17.423 16.06090 24.11652 
1 1 1  -46    2    2 o   88.203   11.655  508.048  126.781  407.124  167.073  645.058  194.663   77.133   17.463   99.274   15.441 -22.14069 23.31025 
1 1 1  -46    2    3 f  135.577   9.7692  1181.42  168.198  1181.42  168.198   0.0000   0.0000  135.577   9.7692  ?   ?       ?      ? 
1 1 1  -46    2    7 o   27.173   9.5155 -395.2375  121.762 -466.4296  168.790 -317.9912  175.820   25.002   12.521   29.344   14.332 -4.342579 19.03092 
1 1 1  -46    2    8 o   88.581   10.522  515.201  114.757  426.284  155.068  622.855  170.625   79.320   15.947   97.843   13.732 -18.52306 21.04498 
1 1 1  -46    2    9 o   99.211   12.758  638.471  160.741  638.471  160.741   0.0000   0.0000   99.211   12.758  ?   ?       ?      ? 
1 1 1  -46    2   10 o   45.238   12.642   46.459  112.848 -52.0066  150.549  172.730  170.485   36.169   16.134   54.306   19.467 -18.13764 25.28356 
1 1 1  -46    2   11 o   38.411   12.054 -52.0088  117.789 -89.3225  163.520 -11.7663  169.816   35.961   16.355   40.862   17.712 -4.901333 24.10812 
1 1 1  -46    2   12 o  102.996   9.2196  690.767  120.127  695.312  163.269  685.401  177.376  103.481   12.424  102.512   13.625 0.9695969 18.43921 
1 1 1  -46    2   13 o  106.786   9.0491  745.961  122.054  816.258  170.423  671.937  174.884  112.142   11.967  101.430   13.577 10.71177 18.09816 
1 1 1  -46    2   14 o   50.701   13.757  127.911  124.246  132.031  172.232  123.439  179.410   50.751   19.311   50.652   19.598 0.9876633E-01 27.51330 
1 1 1  -46    2   15 o   48.400   13.637   94.231  126.867  129.472  175.704   55.844  183.376   50.660   19.450   46.140   19.119 4.519489 27.27322 
1 1 1  -46    2   16 f   71.502   13.550  360.710  125.569  366.754  176.453  354.509  178.731   72.118   19.001   70.886   19.324 1.232452 27.10095 
1 1 1  -46    2   17 o   47.663   13.663   82.079  129.470  125.518  187.075   42.147  179.364   50.807   19.913   44.519   18.711 6.288204 27.32504 
1 1 1  -46    2   18 o   45.436   19.708   10.060  210.541   0.0000   0.0000   10.060  210.541  ?   ?    45.436   19.708      ?      ? 
1 1 1  -46    4    1 o  179.994   4.8610  2084.45  110.186  2207.69  149.427  1937.57  163.125  185.953   6.3277  174.034   7.3809 11.91858 9.721997 
1 1 1  -46    4    2 o  110.872   7.2624  794.279  101.235  811.516  134.905  772.060  153.162  112.373   9.4534  109.371   11.027 3.001511 14.52474 
1 1 1  -46    4    3 o  107.374   7.2237  730.529   97.691  627.447  129.473  866.791  148.859   98.702   10.329  116.046   10.101 -17.34364 14.44745 
1 1 1  -46    4    4 o   63.825   12.838  276.635  108.960  259.777  150.143  295.392  158.373   61.919   18.011   65.732   18.299 -3.813557 25.67583 
1 1 1  -46    4    5 o   91.792   10.023  568.037  111.031  627.075  147.344  490.466  168.896   98.467   11.783   85.116   16.217 13.35088 20.04620 
1 1 1  -46    4    6 o   93.426   9.3167  567.093  110.523  563.693  154.862  570.622  157.785   93.154   13.091   93.698   13.260 -0.5432892 18.63346 
1 1 1  -46    4    7 f   41.878   12.342   28.795  109.479  -4.9060  151.066   66.072  158.882   39.005   16.806   44.750   18.079 -5.744530 24.68397 
1 1 1  -46    4    8 o   44.784   12.144   44.177  111.967  197.665  151.441 -140.8815  166.289   55.539   18.414   34.028   15.838 21.51143 24.28824 
1 1 1  -46    4    9 o  169.251   5.9222  1836.67  126.327  1835.10  168.613  1838.69  190.732  169.270   7.8439  169.232   8.8749 0.3825378E-01 11.84447 
1 1 1  -46    4   10 o   79.567   11.724  433.341  114.548  460.066  159.082  404.566  165.075   82.390   15.779   76.744   17.346 5.645462 23.44891 
1 1 1  -46    4   11 o   41.680   12.438 -17.2744  120.623 -148.4583  171.674  110.640  169.521   34.365   16.028   48.995   19.024 -14.63004 24.87556 
1 1 1  -46    4   12 o   55.576   14.035  184.124  125.313  159.070  172.644  212.023  182.179   53.044   19.506   58.108   20.184 -5.064747 28.06903 
1 1 1  -46    4   13 o  129.265   8.1293  1088.78  132.840  1197.46  186.975  978.010  188.768  135.963   10.829  122.567   12.128 13.39597 16.25869 
1 1 1  -46    4   14 o   44.506   13.120   32.337  124.487 -27.6372  168.528  104.359  184.681   39.509   17.374   49.503   19.664 -9.994659 26.23929 
1 1 1  -46    4   15 o   86.549   12.676  526.032  134.604  584.838  186.367  461.905  194.618   92.270   16.511   80.828   19.238 11.44232 25.35183 
1 1 1  -46    4   16 o   42.227   12.957 -15.6647  131.125 -88.9293  183.468   60.836  187.476   37.984   17.294   46.470   19.300 -8.486210 25.91479 
1 1 1  -46    4   17 f   75.022   16.833  374.927  176.799  590.933  299.447  259.334  219.054   87.832   25.404   62.211   22.091 25.62074 33.66509 
1 1 1  -46    4   18 o   82.385   20.321  500.492  211.285   0.0000   0.0000  500.492  211.285  ?   ?    82.385   20.321      ?      ? 
1 1 1  -46    6    1 o  107.375   7.5031  739.753  100.993  713.507  131.641  777.302  157.453  105.205   9.8531  109.545   11.318 -4.339958 15.00623 
1 1 1  -46    6    2 o  147.291   6.0198  1382.59  111.121  1332.36  144.702  1454.78  173.483  144.166   7.9038  150.415   9.0821 -6.249054 12.03969 
1 1 1  -46    6    3 o  105.782   9.1334  800.332  108.270  1015.24  141.817  500.052  167.636  125.699   8.8842   85.866   15.961 39.83273 18.26688 
1 1 1  -46    6    4 o  112.826   7.8599  811.259  110.670  623.013  147.888  1050.85  166.844   98.020   11.881  127.633   10.294 -29.61359 15.71975 
1 1 1  -46    6    5 o  184.112   5.1460  2171.16  117.710  2177.67  151.680  2161.31  186.639  184.611   6.4698  183.612   8.0043 0.9994965 10.29209 
1 1 1  -46    6    6 o   70.053   12.214  348.770  111.815  459.024  150.628  213.445  166.877   82.489   14.929   57.618   19.335 24.87134 24.42737 
1 1 1  -46    6    7 o  123.268   7.8823  985.446  123.051  1021.14  169.927  946.091  178.424  125.723   10.643  120.814   11.629 4.908989 15.76457 
1 1 1  -46    6    8 o   56.199   13.210  203.924  111.039  235.190  152.907  169.039  161.513   59.190   18.398   53.209   18.961 5.980942 26.41932 
1 1 1  -46    6    9 o   90.797   14.370  541.100  165.695   0.0000   0.0000  541.100  165.695  ?   ?    90.797   14.370      ?      ? 
1 1 1  -46    6   10 o   32.502   10.802 -167.7262  114.669 -104.5331  164.016 -228.1469  160.378   35.162   16.138   29.842   14.362 5.319981 21.60324 
1 1 1  -46    6   11 o   54.043   13.177  165.933  117.109  283.026  167.146   53.027  164.131   64.049   19.104   44.037   18.153 20.01235 26.35359 
1 1 1  -46    6   12 o   36.682   11.776 -93.4640  120.362 -29.0215  173.156 -153.7106  167.424   39.950   17.588   33.415   15.663 6.535881 23.55171 
1 1 1  -46    6   13 o   48.151   12.812   78.090  121.198  240.323  167.923 -98.3118  175.103   59.628   19.372   36.674   16.774 22.95424 25.62495 
1 1 1  -46    6   14 o   43.210   12.852   24.853  122.349   96.125  173.886 -45.0286  172.181   47.641   19.031   38.778   17.280 8.862564 25.70492 
1 1 1  -46    6   15 o   53.888   14.359  151.861  140.013  257.802  196.575   42.775  199.472   61.491   20.983   46.286   19.608 15.20525 28.71848 
1 1 1  -46    6   16 o   46.919   14.658 -30.1757  164.103   76.443  277.175 -87.7197  203.628   53.891   22.981   39.947   18.200 13.94387 29.31529 
1 1 1  -46    6   17 f   72.079   22.766  393.173  233.152   0.0000   0.0000  393.173  233.152  ?   ?    72.079   22.766      ?      ? 
1 1 1  -46    8    1 o  173.023   5.7033  1900.73  122.904  1805.10  157.348  2050.38  196.829  167.693   7.3887  178.354   8.6902 -10.66119 11.40670 
1 1 1  -46    8    2 o   96.684   9.0891  599.040  109.218  550.267  138.633  678.842  177.329   91.831   11.888  101.536   13.753 -9.704750 18.17827 
1 1 1  -46    8    3 o  154.698   6.4227  1562.86  121.398  1619.47  153.837  1469.43  197.644  158.815   7.6277  150.582   10.336 8.232590 12.84542 
1 1 1  -46    8    4 o  147.868   6.3121  1390.57  115.575  1328.07  146.487  1493.63  188.105  143.739   8.0250  151.997   9.7451 -8.257706 12.62410 
1 1 1  -46    8    5 f   43.855   12.649   48.464  112.684  -9.8120  152.015  119.542  167.884   38.509   16.725   49.201   18.980 -10.69135 25.29717 
1 1 1  -46    8    6 o   59.607   13.002  243.021  108.021  254.094  143.910  228.731  163.487   60.699   17.627   58.515   19.119 2.183289 26.00478 
1 1 1  -46    8    7 o   48.567   13.003  122.698  111.626  163.294  147.400   68.109  170.924   51.491   18.138   45.644   18.636 5.847168 26.00600 
1 1 1  -46    8    8 o   46.705   12.706   41.258  121.846 -141.1178  170.282  232.622  174.427   34.250   15.970   59.159   19.768 -24.90905 25.41277 
1 1 1  -46    8    9 o   42.459   12.822   12.682  123.089 -27.3182  172.381   54.294  175.819   39.834   17.542   45.083   18.704 -5.249226 25.64337 
1 1 1  -46    8   10 o   48.178   12.424   69.472  118.682  270.070  165.180 -144.5965  170.636   62.298   19.082   34.059   15.916 28.23972 24.84860 
1 1 1  -46    8   11 o   50.063   13.731  126.251  125.022  105.306  175.431  147.867  178.218   48.352   19.178   51.775   19.657 -3.423500 27.46265 
1 1 1  -46    8   12 o  119.472   8.4859  948.644  127.115  1017.48  171.178  864.023  189.794  124.750   10.805  114.193   13.088 10.55745 16.97172 
1 1 1  -46    8   13 o   57.249   15.342  178.125  149.967  286.170  247.171  115.178  188.660   64.787   23.413   49.710   19.834 15.07711 30.68444 
1 1 1  -46    8   14 o   51.503   20.564  130.893  202.938   0.0000   0.0000  130.893  202.938  ?   ?    51.503   20.564      ?      ? 
1 1 1  -46   10    1 o   85.603   18.467  352.507  190.034  185.939  209.958  1107.31  446.943   55.868   21.306  115.339   30.169 -59.47072 36.93409 
1 1 1  -46   10    2 o   64.175   18.747  186.636  198.224  158.703  217.829  321.197  478.100   54.546   21.454   73.804   30.750 -19.25792 37.49446 
1 1 1  -46   10    3 o   59.085   17.777  140.633  185.061  156.082  200.294   50.508  483.786   53.362   20.690   64.807   28.915 -11.44439 35.55490 
1 1 1  -46   10    4 o   72.065   19.856  213.979  204.891  117.678  223.983  707.744  507.175   52.451   21.365   91.678   33.475 -39.22764 39.71221 
1 1 1  -46   10    5 o   51.123   15.851   9.1015  198.552  163.926  215.837 -843.0444  506.364   54.883   21.423   47.364   23.368 7.518703 31.70197 
1 1 1  -46   10    6 o   63.698   19.161  172.624  212.648  174.355  230.552  162.761  550.365   56.384   22.105   71.012   31.305 -14.62719 38.32261 
1 1 1  -46   10    7 f   60.324   18.036  154.008  226.997  269.079  246.041 -504.2011  588.445   63.387   23.290   57.261   27.545 6.126503 36.07103 
1 1 1  -46   10    8 o   58.013   17.679  110.329  225.368  238.647  241.980 -729.1260  618.920   60.982   22.964   55.044   26.885 5.937912 35.35739 
1 1 1  -46   10    9 o   52.935   16.855 -16.7061  229.161  152.633  244.385 -1250.2720  659.593   55.440   22.414   50.430   25.179 5.009495 33.71014 
1 1 1  -46   10   10 o   55.065   18.829 -172.3290  232.743 -189.7829  246.538 -29.3179  705.701   40.204   18.898   69.926   32.574 -29.72141 37.65859 
1 1 1  -46   10   11 o   53.751   18.008 -154.7677  263.265 -152.9927  294.574 -161.8116  586.817   45.413   21.118   62.090   29.175 -16.67749 36.01612 
1 1 1  -46   10   12 o   42.516   19.520 -95.0894  240.249 -95.0894  240.249   0.0000   0.0000   42.516   19.520  ?   ?       ?      ? 
1 1 1  -46   12    1 o  151.105   10.343  1671.94  166.940  1764.81  194.584  1412.99  324.936  163.456   9.3741  138.754   18.441 24.70215 20.68642 
1 1 1  -46   12    2 o  265.614   6.9931  4591.94  226.273  4388.06  280.208  4974.06  383.615  258.716   8.5286  272.512   11.085 -13.79590 13.98618 
1 1 1  -46   12    3 o  256.270   7.2084  4160.35  223.234  3748.69  271.213  5025.10  393.081  238.814   8.9428  273.726   11.308 -34.91264 14.41687 
1 1 1  -46   12    4 o  225.177   8.5016  3561.35  224.624  3866.84  278.442  2992.05  380.115  242.486   9.0421  207.868   14.400 34.61784 17.00319 
1 1 1  -46   12    5 o  171.743   9.4715  2168.21  187.609  2566.75  238.282  1518.21  304.304  197.194   9.5153  146.292   16.380 50.90176 18.94308 
1 1 1  -46   12    6 o  232.508   9.0748  3557.13  267.948  3557.13  267.948   0.0000   0.0000  232.508   9.0748  ?   ?       ?      ? 
1 1 1  -46   12    8 o  134.066   9.7549  1191.28  166.081  1191.28  166.081   0.0000   0.0000  134.066   9.7549  ?   ?       ?      ? 
1 1 1  -46   12    9 o   27.313   13.418 -285.3107  161.143 -285.3107  161.143   0.0000   0.0000   27.313   13.418  ?   ?       ?      ? 
1 1 1  -46   14    1 o   30.850   14.507 -98.1860  145.546 -98.1860  145.546   0.0000   0.0000   30.850   14.507  ?   ?       ?      ? 
1 1 1  -46   14    2 o   38.589   16.430   53.213  141.281   53.213  141.281   0.0000   0.0000   38.589   16.430  ?   ?       ?      ? 
1 1 1  -46   14    3 o   44.371   17.496  126.570  145.221  126.570  145.221   0.0000   0.0000   44.371   17.496  ?   ?       ?      ? 
1 1 1  -46   14    4 o   27.457   13.333 -196.2508  146.208 -196.2508  146.208   0.0000   0.0000   27.457   13.333  ?   ?       ?      ? 
1 1 1  -46   14    5 o   40.303   16.955   69.732  147.503   69.732  147.503   0.0000   0.0000   40.303   16.955  ?   ?       ?      ? 
1 1 1  -46   14    6 o   37.599   16.703   9.2965  159.621   9.2965  159.621   0.0000   0.0000   37.599   16.703  ?   ?       ?      ? 
1 1 1  -46   14    7 o   40.732   18.546 -11.5659  211.016 -11.5659  211.016   0.0000   0.0000   40.732   18.546  ?   ?       ?      ? 
1 1 1  -45    1    1 o  240.930   4.2972  3701.34  131.466  3682.05  184.493  3721.24  187.383  240.297   6.0458  241.562   6.1083 -1.264847 8.594380 
1 1 1  -45    1    2 o   27.099   9.3090 -243.8512  101.309 -211.1536  141.483 -278.2572  145.132   27.899   13.442   26.299   12.882 1.600590 18.61810 
1 1 1  -45    1    3 o   23.333   8.2483 -386.1847   98.787 -265.9835  143.079 -495.6853  136.562   26.365   12.888   20.301   10.298 6.064106 16.49664 
1 1 1  -45    1    4 o  124.075   6.5350  987.097  102.780  988.706  141.217  985.284  149.874  124.219   8.9520  123.931   9.5229 0.2887192 13.06998 
1 1 1  -45    1    5 o  179.036   4.9210  2043.43  111.728  1895.82  155.027  2202.96  161.164  172.301   7.0851  185.772   6.8314 -13.47079 9.842079 
1 1 1  -45    1    6 o  101.131   7.9871  671.384  100.480  789.327  138.372  539.810  146.149  110.884   9.8265   91.378   12.594 19.50603 15.97429 
1 1 1  -45    1    7 o   29.593   9.8762 -216.4758  105.122 -52.2418  138.326 -441.0007  161.734   34.554   15.436   24.633   12.324 9.921326 19.75232 
1 1 1  -45    1    8 o   31.773   14.851 -138.2599  148.650 -138.2599  148.650   0.0000   0.0000   31.773   14.851  ?   ?       ?      ? 
1 1 1  -45    1   10 o  545.288   7.1986 19001.38  498.481   0.0000   0.0000 19001.38  498.481  ?   ?   545.288   7.1986      ?      ? 
1 1 1  -45    1   11 o   35.828   16.769 -176.0625  190.645   0.0000   0.0000 -176.0625  190.645  ?   ?    35.828   16.769      ?      ? 
1 1 1  -45    1   12 o   28.711   9.9627 -326.4675  120.986 -322.0894  157.226 -332.8236  189.443   26.745   13.162   30.677   14.959 -3.931488 19.92535 
1 1 1  -45    1   13 o   76.878   12.558  409.375  119.888  440.971  161.176  370.241  179.376   80.547   16.316   73.209   19.095 7.338036 25.11633 
1 1 1  -45    1   14 o  151.720   7.2795  1486.37  139.839  1621.11  198.189  1352.77  197.339  158.678   9.8352  144.761   10.735 13.91742 14.55892 
1 1 1  -45    1   15 o   41.320   12.760 -21.3545  126.710 -38.0669  182.385  -5.7623  176.167   40.794   18.001   41.847   18.089 -1.052677 25.51935 
1 1 1  -45    1   16 o   64.093   12.453  247.634  125.122  508.622  180.512   6.2831  173.588   86.037   17.123   42.149   18.085 43.88827 24.90575 
1 1 1  -45    1   17 o   50.159   12.532   59.545  124.696  316.361  177.421 -191.1445  175.291   67.292   19.580   33.026   15.647 34.26575 25.06466 
1 1 1  -45    1   18 o   58.473   14.498  220.037  133.980  253.400  183.179  181.657  196.471   61.175   20.250   55.770   20.752 5.404625 28.99513 
1 1 1  -45    1   19 o   48.401   14.093   80.375  139.469   82.447  203.809   78.550  191.266   49.053   20.226   47.748   19.630 1.304764 28.18546 
1 1 1  -45    1   20 o   36.522   17.136 -166.3068  201.148   0.0000   0.0000 -166.3068  201.148  ?   ?    36.522   17.136      ?      ? 
1 1 1  -45    3    1 o  499.614   4.6647 15591.59  292.261 18171.54  459.863 13843.41  378.543  533.464   6.7881  465.764   6.3999 67.70035 9.329319 
1 1 1  -45    3    3 o  180.445   5.5171  2131.35  123.407  2439.59  166.209  1752.67  184.225  195.497   6.6948  165.393   8.7711 30.10416 11.03412 
1 1 1  -45    3    4 o  170.937   7.5719  1867.82  164.369  1867.82  164.369   0.0000   0.0000  170.937   7.5719  ?   ?       ?      ? 
1 1 1  -45    3    5 o  125.630   7.8301  1037.99  121.942  1152.11  162.071  889.089  185.123  133.989   9.5248  117.271   12.431 16.71861 15.66023 
1 1 1  -45    3    6 o  145.008   10.634  1352.99  195.828   0.0000   0.0000  1352.99  195.828  ?   ?   145.008   10.634      ?      ? 
1 1 1  -45    3    9 o  339.825   5.8964  7365.01  254.461  7365.01  254.461   0.0000   0.0000  339.825   5.8964  ?   ?       ?      ? 
1 1 1  -45    3   10 o   31.501   10.792 -272.2444  126.408 -261.2822  158.182 -291.6154  210.274   28.614   13.889   34.389   16.523 -5.775242 21.58459 
1 1 1  -45    3   11 o   63.622   13.904  276.299  125.534  327.037  160.755  197.006  200.964   69.026   18.112   58.219   21.100 10.80777 27.80745 
1 1 1  -45    3   12 o  138.723   7.3503  1237.95  128.704  1221.64  172.293  1258.55  193.593  137.794   9.8460  139.651   10.916 -1.856934 14.70050 
1 1 1  -45    3   13 o  106.800   9.4818  754.965  126.363  847.784  171.410  644.474  187.017  114.412   11.797   99.188   14.847 15.22356 18.96360 
1 1 1  -45    3   14 o   78.522   12.714  430.002  123.954  471.957  167.504  379.216  184.293   83.203   16.436   73.840   19.401 9.362793 25.42702 
1 1 1  -45    3   15 o   86.452   12.055  513.456  127.564  543.378  178.670  482.344  182.186   89.312   16.356   83.592   17.713 5.720001 24.10901 
1 1 1  -45    3   16 o   36.050   11.931 -184.3457  138.844 -290.3403  206.199 -96.4246  187.798   33.674   16.225   38.426   17.496 -4.752460 23.86173 
1 1 1  -45    3   17 o   54.574   14.523  158.562  137.357  224.340  205.988  105.896  184.317   59.724   21.399   49.425   19.641 10.29964 29.04580 
1 1 1  -45    3   18 o   65.020   13.585  261.600  137.304  507.181  201.706   49.542  187.434   84.331   19.257   45.709   19.165 38.62210 27.16903 
1 1 1  -45    3   19 o   43.968   14.522 -167.5753  192.433 -448.2294  366.644 -60.8707  226.074   44.459   21.475   43.476   19.554 0.9832993 29.04369 
1 1 1  -45    3   20 o   46.475   20.521  -6.5816  237.413   0.0000   0.0000  -6.5816  237.413  ?   ?    46.475   20.521      ?      ? 
1 1 1  -45    5    1 o  227.265   4.3772  3281.77  125.555  3173.51  167.342  3421.20  189.916  223.047   5.9079  231.483   6.4605 -8.436447 8.754473 
1 1 1  -45    5    2 o   57.919   12.355  192.551  106.831   64.462  140.668  367.106  164.213   42.711   17.097   73.127   17.841 -30.41530 24.71061 
1 1 1  -45    5    3 f  109.099   7.9076  783.453  105.735  836.089  135.872  702.635  168.361  114.099   9.3772  104.100   12.735 9.998169 15.81523 
1 1 1  -45    5    4 o   27.967   9.5602 -230.2540  103.690 -164.1406  134.281 -327.9011  163.192   28.527   13.568   27.407   13.472 1.120224 19.12032 
1 1 1  -45    5    5 o  ?   ?  -613.0740  109.997 -556.4750  149.223 -680.4244  162.780  ?   ?   ?   ?       ?      ? 
1 1 1  -45    5    6 o  148.196   6.5347  1400.56  122.555  1267.03  165.965  1560.69  181.747  140.469   9.3037  155.923   9.1786 -15.45428 13.06932 
1 1 1  -45    5    7 o   65.058   18.160  288.858  155.765  288.858  155.765   0.0000   0.0000   65.058   18.160  ?   ?       ?      ? 
1 1 1  -45    5    8 o   38.404   11.649 -132.4898  113.342 -311.8123  147.272  128.024  177.508   25.631   12.637   51.178   19.573 -25.54707 23.29812 
1 1 1  -45    5    9 o   66.228   13.028  306.237  115.111  359.311  150.551  231.542  178.602   72.501   16.696   59.956   20.003 12.54555 26.05526 
1 1 1  -45    5   10 o  154.737   6.4523  1545.12  125.754  1602.60  169.365  1474.50  187.736  158.088   8.4362  151.386   9.7653 6.701889 12.90464 
1 1 1  -45    5   11 o  108.783   8.6947  763.775  119.740  688.355  163.282  851.524  176.123  102.967   12.487  114.599   12.102 -11.63197 17.38935 
1 1 1  -45    5   12 o   70.212   12.673  337.617  118.083  205.931  164.807  476.534  169.271   56.824   19.214   83.599   16.530 -26.77550 25.34571 
1 1 1  -45    5   13 o   71.554   12.901  348.192  126.144  168.917  175.124  541.515  181.856   54.019   19.679   89.089   16.687 -35.06968 25.80149 
1 1 1  -45    5   14 o   43.787   12.499  -8.0685  125.072  182.594  169.832 -234.0188  184.881   54.734   19.449   32.841   15.703 21.89223 24.99706 
1 1 1  -45    5   15 o   43.451   13.207  -5.6273  134.768 -94.7861  195.970   74.372  185.631   39.409   17.916   47.494   19.410 -8.085190 26.41483 
1 1 1  -45    5   16 o   35.320   11.815 -203.7065  140.190 -200.8997  194.790 -206.7226  201.921   34.997   16.556   35.643   16.860 -0.6461525 23.62970 
1 1 1  -45    5   17 o   44.568   13.582 -66.3840  147.323 -227.1508  193.995  152.660  226.442   33.882   16.168   55.254   21.829 -21.37124 27.16438 
1 1 1  -45    5   18 o   82.913   16.368  498.610  169.678  579.799  303.463  461.682  204.660   86.407   25.734   79.419   20.235 6.988014 32.73665 
1 1 1  -45    5   19 o   61.264   22.384  256.068  226.814   0.0000   0.0000  256.068  226.814  ?   ?    61.264   22.384      ?      ? 
1 1 1  -45    7    1 o  153.512   6.0148  1524.70  115.822  1602.44  154.729  1425.64  174.672  158.148   7.7043  148.877   9.2389 9.270966 12.02966 
1 1 1  -45    7    2 o  139.141   6.4856  1249.09  111.445  1264.09  142.460  1225.43  178.907  140.429   7.9883  137.852   10.220 2.576965 12.97130 
1 1 1  -45    7    3 o   96.981   8.4676  601.058  102.734  562.073  132.589  659.624  162.509   93.228   11.199  100.733   12.704 -7.505058 16.93516 
1 1 1  -45    7    4 o   88.087   9.3634  503.150  104.477  458.186  142.915  554.762  153.118   83.848   13.422   92.325   13.059 -8.477623 18.72682 
1 1 1  -45    7    5 o   99.010   8.9831  629.218  110.158  457.336  147.536  845.761  165.598   83.694   13.881  114.326   11.406 -30.63258 17.96621 
1 1 1  -45    7    6 o   58.005   12.728  210.064  104.608  141.520  136.203  308.648  163.343   49.042   17.419   66.968   18.563 -17.92599 25.45555 
1 1 1  -45    7    7 o   37.745   11.841 -76.3059  118.727   34.527  163.615 -199.5753  172.551   42.951   17.950   32.539   15.448 10.41216 23.68208 
1 1 1  -45    7    8 o   63.400   13.653  271.808  122.085  204.258  175.001  335.851  170.398   57.146   19.786   69.654   18.819 -12.50786 27.30605 
1 1 1  -45    7    9 o   54.663   13.374  173.867  120.118   61.845  174.406  274.954  165.674   45.860   18.786   63.465   19.040 -17.60462 26.74807 
1 1 1  -45    7   10 o   95.016   10.359  604.694  120.898  690.410  170.221  517.440  171.742  102.838   13.034   87.195   16.103 15.64318 20.71701 
1 1 1  -45    7   11 o  115.337   8.4684  862.793  123.810  811.818  169.089  921.710  181.785  111.690   11.921  118.983   12.031 -7.292999 16.93684 
1 1 1  -45    7   12 o   46.171   13.432   62.564  126.942   37.959  187.527   83.375  172.464   45.408   19.111   46.934   18.880 -1.525822 26.86440 
1 1 1  -45    7   13 o   51.206   13.950  131.198  128.615  161.191  183.431  102.191  180.386   53.540   20.026   48.871   19.427 4.669342 27.90072 
1 1 1  -45    7   14 o   95.936   11.513  624.991  137.066  573.499  190.148  680.686  197.756   90.932   17.094  100.940   15.427 -10.00800 23.02611 
1 1 1  -45    7   15 o   64.308   14.340  292.061  130.849  309.305  174.664  270.007  197.536   65.963   19.495   62.652   21.036 3.310905 28.68036 
1 1 1  -45    7   16 o   51.920   14.640   63.232  170.728 -301.0156  280.901  276.609  214.995   40.621   19.404   63.220   21.928 -22.59898 29.28056 
1 1 1  -45    7   17 o   79.690   14.900  415.186  168.604  822.830  269.676  153.588  216.033  105.616   20.846   53.765   21.295 51.85137 29.80052 
1 1 1  -45    7   18 o   54.004   21.823  152.467  231.556   0.0000   0.0000  152.467  231.556  ?   ?    54.004   21.823      ?      ? 
1 1 1  -45    9    1 o  208.748   8.1536  2803.71  216.148   0.0000   0.0000  2803.71  216.148  ?   ?   208.748   8.1536      ?      ? 
1 1 1  -45    9    2 o  174.635   5.6025  1903.94  121.530  1708.43  153.725  2229.78  198.458  163.154   7.4194  186.115   8.3967 -22.96129 11.20499 
1 1 1  -45    9    3 o   88.317   10.119  541.312  106.432  649.062  143.114  407.973  159.203   99.885   11.282   76.749   16.800 23.13565 20.23721 
1 1 1  -45    9    4 o   51.405   12.992  157.608  106.293  146.796  139.697  172.473  163.807   49.473   17.633   53.337   19.085 -3.864368 25.98430 
1 1 1  -45    9    5 o   58.481   13.145  211.261  112.963  121.160  148.202  336.186  174.509   47.742   17.972   69.220   19.187 -21.47720 26.28953 
1 1 1  -45    9    6 o   58.593   12.971  214.091  108.375  138.099  139.503  329.768  172.117   48.612   17.586   68.574   19.071 -19.96229 25.94189 
1 1 1  -45    9    7 o   35.783   11.355 -59.7058  108.070 -17.9694  145.792 -110.6078  161.006   37.203   16.264   34.364   15.851 2.838390 22.71090 
1 1 1  -45    9    8 o   92.893   10.572  577.298  117.925  394.481  159.134  799.970  175.625   75.281   17.042  110.504   12.515 -35.22285 21.14388 
1 1 1  -45    9    9 o  119.217   9.0745  933.590  121.256  490.785  160.050  1530.17  185.773   84.662   15.456  153.772   9.5133 -69.11005 18.14909 
1 1 1  -45    9   10 o   38.782   12.029 -23.7681  114.528   15.227  158.242 -66.6638  165.969   40.617   17.343   36.947   16.673 3.669300 24.05775 
1 1 1  -45    9   11 o  148.627   7.1693  1462.25  132.769  1648.39  179.781  1238.94  196.915  159.634   8.8683  137.620   11.267 22.01404 14.33867 
1 1 1  -45    9   12 o   64.669   14.023  279.793  126.592  198.335  163.559  401.498  199.923   55.035   19.124   74.303   20.513 -19.26762 28.04515 
1 1 1  -45    9   13 o   63.720   14.199  285.827  127.757  250.422  170.061  331.693  193.563   59.841   19.497   67.598   20.648 -7.756203 28.39893 
1 1 1  -45    9   14 o   47.859   13.526   91.924  130.545  183.864  175.520 -21.9009  195.296   53.796   19.685   41.922   18.556 11.87347 27.05250 
1 1 1  -45    9   15 o   35.846   17.327 -313.0279  239.774   0.0000   0.0000 -313.0279  239.774  ?   ?    35.846   17.327      ?      ? 
1 1 1  -45    9   16 f   78.788   26.207  515.337  306.672   0.0000   0.0000  515.337  306.672  ?   ?    78.788   26.207      ?      ? 
1 1 1  -45   11    1 o   46.017   15.425 -146.6236  196.884 -64.4361  215.003 -573.5265  490.011   41.937   18.946   50.098   24.346 -8.161758 30.84939 
1 1 1  -45   11    2 o   50.730   16.996 -121.8377  189.385 -132.3716  202.890 -50.5204  527.914   37.947   17.606   63.512   29.077 -25.56532 33.99203 
1 1 1  -45   11    3 o   66.407   20.451  -5.9563  214.499 -102.6627  228.409  716.258  624.192   41.805   19.134   91.008   36.150 -49.20371 40.90195 
1 1 1  -45   11    4 o   66.670   19.787  235.164  209.180  255.386  220.292   49.743  667.060   61.494   22.119   71.846   32.814 -10.35152 39.57325 
1 1 1  -45   11    5 o   67.810   18.719  310.326  225.280  410.014  239.886 -434.2993  655.618   73.979   23.052   61.641   29.499 12.33847 37.43753 
1 1 1  -45   11    6 o   70.713   21.356  130.026  229.481   48.380  244.615  729.276  662.703   49.973   21.457   91.454   36.932 -41.48086 42.71234 
1 1 1  -45   11    7 o   89.797   21.471  596.967  227.732  574.774  242.748  759.887  657.716   87.470   21.902   92.123   36.936 -4.652359 42.94173 
1 1 1  -45   11    8 o   82.292   21.992  419.304  227.189  360.826  242.045  852.314  658.644   69.664   23.286   94.919   37.314 -25.25471 43.98399 
1 1 1  -45   11    9 o   65.435   19.657  196.975  227.492  173.179  249.509  314.241  553.883   56.714   22.746   74.156   32.065 -17.44181 39.31365 
1 1 1  -45   11   10 o   33.108   15.155 -74.4141  143.329 -74.4141  143.329   0.0000   0.0000   33.108   15.155  ?   ?       ?      ? 
1 1 1  -45   11   11 o   24.492   12.237 -392.8704  156.922 -392.8704  156.922   0.0000   0.0000   24.492   12.237  ?   ?       ?      ? 
1 1 1  -45   11   12 f   53.393   21.617  153.319  227.672  153.319  227.672   0.0000   0.0000   53.393   21.617  ?   ?       ?      ? 
1 1 1  -45   13    1 o  ?   ?  -513.9302  134.664 -513.9302  134.664   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -45   13    2 o  ?   ?  -652.7021  138.303 -652.7021  138.303   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -45   13    3 o   27.407   13.469 -290.2151  162.831 -290.2151  162.831   0.0000   0.0000   27.407   13.469  ?   ?       ?      ? 
1 1 1  -45   13    4 o   39.632   17.015   30.748  153.786   30.748  153.786   0.0000   0.0000   39.632   17.015  ?   ?       ?      ? 
1 1 1  -45   13    5 o   32.494   15.247 -121.8729  159.318 -121.8729  159.318   0.0000   0.0000   32.494   15.247  ?   ?       ?      ? 
1 1 1  -45   13    6 o   26.200   12.926 -298.1783  154.875 -298.1783  154.875   0.0000   0.0000   26.200   12.926  ?   ?       ?      ? 
1 1 1  -45   13    7 o  ?   ?  -673.6401  147.397 -673.6401  147.397   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -45   13    8 o   28.868   13.734 -141.2200  137.800 -141.2200  137.800   0.0000   0.0000   28.868   13.734  ?   ?       ?      ? 
1 1 1  -45   13    9 o   30.370   14.368 -131.2795  146.752 -131.2795  146.752   0.0000   0.0000   30.370   14.368  ?   ?       ?      ? 
1 1 1  -45   15    1 o   41.586   17.110   98.762  145.466   98.762  145.466   0.0000   0.0000   41.586   17.110  ?   ?       ?      ? 
1 1 1  -45   15    2 o   39.108   16.848   54.377  151.769   54.377  151.769   0.0000   0.0000   39.108   16.848  ?   ?       ?      ? 
1 1 1  -45   15    3 o   50.690   17.938  204.310  144.320  204.310  144.320   0.0000   0.0000   50.690   17.938  ?   ?       ?      ? 
1 1 1  -45   15    4 o   33.026   15.289 -60.7979  151.787 -60.7979  151.787   0.0000   0.0000   33.026   15.289  ?   ?       ?      ? 
1 1 1  -45   15    5 o   37.223   16.590   10.373  158.824   10.373  158.824   0.0000   0.0000   37.223   16.590  ?   ?       ?      ? 
1 1 1  -45   15    6 o   62.739   17.772  323.387  148.039  323.387  148.039   0.0000   0.0000   62.739   17.772  ?   ?       ?      ? 
1 1 1  -45   15    7 o   56.830   21.833  287.305  221.492  287.305  221.492   0.0000   0.0000   56.830   21.833  ?   ?       ?      ? 
1 1 1  -44    0    1 o  180.043   4.9242  2072.79  158.680  2072.79  158.680  2072.79  158.680  180.043   6.9638  180.043   6.9638 -0.000000 0.000000 
1 1 1  -44    0    2 o  240.488   4.1782  3685.67  180.210  3685.67  180.210  3685.67  180.210  240.488   5.9088  240.488   5.9088 -0.000000 0.000000 
1 1 1  -44    0    3 o   60.999   13.387  298.826  128.453  298.826  128.453  298.826  128.453   60.999   18.932   60.999   18.932 -0.000000 0.000000 
1 1 1  -44    0    4 o  126.006   6.2057  1026.71  138.869  1026.71  138.869  1026.71  138.869  126.006   8.7761  126.006   8.7761 -0.000000 0.000000 
1 1 1  -44    0    5 o   27.980   12.453   25.618  131.742   25.618  131.742   25.618  131.742   27.980   17.611   27.980   17.611 -0.000000 0.000000 
1 1 1  -44    0    6 o   53.069   14.503  247.594  131.245  247.594  131.245  247.594  131.245   53.069   20.511   53.069   20.511 -0.000000 0.000000 
1 1 1  -44    0    7 o   25.036   11.655 -23.2690  133.511 -23.2690  133.511 -23.2690  133.511   25.036   16.483   25.036   16.483 -0.000000 0.000000 
1 1 1  -44    0    8 o   93.051   8.3783  579.782  133.822  579.782  133.822  579.782  133.822   93.051   11.849   93.051   11.849 -0.000000 0.000000 
1 1 1  -44    0    9 o   55.577   15.223  272.436  144.462  272.436  144.462  272.436  144.462   55.577   21.529   55.577   21.529 -0.000000 0.000000 
1 1 1  -44    0   10 o  156.163   5.6243  1565.97  156.805  1565.97  156.805  1565.97  156.805  156.163   7.9539  156.163   7.9539 -0.000000 0.000000 
1 1 1  -44    0   11 o   15.824   8.2265 -454.1786  160.903 -454.1786  160.903 -454.1786  160.903   15.824   11.634   15.824   11.634 -0.000000 0.000000 
1 1 1  -44    0   14 o   16.876   8.8064 -623.8684  199.567 -623.8684  199.567 -623.8684  199.567   16.876   12.454   16.876   12.454 -0.000000 0.000000 
1 1 1  -44    0   15 o   53.547   16.915  271.098  172.909  271.098  172.909  271.098  172.909   53.547   23.921   53.547   23.921 -0.000000 0.000000 
1 1 1  -44    0   16 o   60.810   16.880  331.687  176.665  331.687  176.665  331.687  176.665   60.810   23.872   60.810   23.872 -0.000000 0.000000 
1 1 1  -44    0   17 o  112.324   10.238  852.776  197.098  852.776  197.098  852.776  197.098  112.324   14.479  112.324   14.479 -0.000000 0.000000 
1 1 1  -44    0   18 o   24.298   11.956 -159.9513  186.058 -159.9513  186.058 -159.9513  186.058   24.298   16.909   24.298   16.909 -0.000000 0.000000 
1 1 1  -44    0   19 o   86.823   14.566  568.176  197.167  568.176  197.167  568.176  197.167   86.823   20.600   86.823   20.600 -0.000000 0.000000 
1 1 1  -44    0   20 o   20.232   10.311 -324.7297  187.963 -324.7297  187.963 -324.7297  187.963   20.232   14.582   20.232   14.582 -0.000000 0.000000 
1 1 1  -44    0   21 o   24.877   12.500 -297.2393  239.152 -297.2393  239.152 -297.2393  239.152   24.877   17.678   24.877   17.678 -0.000000 0.000000 
1 1 1  -44    2    1 o   46.315   11.412  123.406   83.911  164.291  118.171   81.825  119.173   50.618   16.232   42.013   16.045 8.605614 22.82311 
1 1 1  -44    2    2 o   70.969   10.607  339.384   94.910  224.493  134.010  455.008  134.436   58.004   17.057   83.934   12.612 -25.93036 21.21376 
1 1 1  -44    2    3 o   47.878   11.807  134.735   88.039  124.279  120.079  146.888  129.461   46.355   16.367   49.401   17.023 -3.045551 23.61457 
1 1 1  -44    2    4 o  185.997   4.8201  2228.35  112.739  2428.69  153.962  1996.74  165.541  195.174   6.2118  176.821   7.3722 18.35275 9.640281 
1 1 1  -44    2    5 o   50.212   12.226  152.137   94.640  166.918  129.689  135.299  138.419   51.529   17.038   48.896   17.539 2.632450 24.45228 
1 1 1  -44    2    6 o   76.340   11.018  406.046  104.626  552.821  143.513  239.544  152.854   92.570   12.208   60.110   18.346 32.46042 22.03681 
1 1 1  -44    2    7 o   46.546   11.940  109.201   96.487  182.951  129.949   18.584  144.044   53.264   17.015   39.828   16.756 13.43577 23.88016 
1 1 1  -44    2    8 o   56.284   12.429  205.965   99.581  164.965  140.582  247.254  141.076   51.930   17.745   60.638   17.407 -8.707436 24.85721 
1 1 1  -44    2    9 o  109.321   7.8988  764.250  108.276  609.614  147.006  947.614  160.080   97.211   11.908  121.430   10.381 -24.21848 15.79759 
1 1 1  -44    2   10 o  111.422   8.3484  770.421  114.730  555.107  148.332  1091.05  181.009   92.656   12.606  130.188   10.948 -37.53164 16.69686 
1 1 1  -44    2   11 o  126.774   11.334  1035.95  182.463  1035.95  182.463   0.0000   0.0000  126.774   11.334  ?   ?       ?      ? 
1 1 1  -44    2   12 o  455.293   6.8665 13239.58  397.014   0.0000   0.0000 13239.58  397.014  ?   ?   455.293   6.8665      ?      ? 
1 1 1  -44    2   13 o   34.598   11.180 -262.4868  130.433   34.658  170.264 -684.5629  202.924   43.838   18.315   25.358   12.828 18.47965 22.36070 
1 1 1  -44    2   14 o   41.945   12.659   9.5842  118.490   24.714  156.840 -10.5333  180.853   41.631   17.497   42.258   18.297 -0.6265755 25.31716 
1 1 1  -44    2   15 o   56.290   12.963  159.499  124.482  365.436  177.771 -38.6293  174.368   72.684   19.034   39.896   17.603 32.78815 25.92583 
1 1 1  -44    2   16 o   43.434   13.251 -22.0216  136.283   70.812  196.147 -108.6636  189.493   48.592   19.916   38.276   17.485 10.31527 26.50241 
1 1 1  -44    2   17 o  111.231   9.7055  813.286  136.577  881.196  191.585  743.112  194.754  116.148   12.989  106.315   14.425 9.833557 19.41108 
1 1 1  -44    2   18 o   45.178   13.366   34.412  131.623 -47.9737  194.467  104.060  178.804   41.412   18.414   48.943   19.378 -7.530739 26.73156 
1 1 1  -44    2   19 o   48.730   14.392   63.322  148.388   47.092  220.008   76.868  200.985   48.694   20.608   48.766   20.094 -0.7178879E-01 28.78311 
1 1 1  -44    2   20 o   43.541   13.228 -105.5522  155.141  164.110  206.863 -452.1992  234.540   54.592   21.066   32.490   16.006 22.10234 26.45655 
1 1 1  -44    2   21 o   77.990   18.447  297.673  189.373  896.258  422.082  146.809  211.898  102.838   30.280   53.142   21.077 49.69592 36.89394 
1 1 1  -44    4    1 o  207.291   5.7937  2738.99  152.516  2738.99  152.516   0.0000   0.0000  207.291   5.7937  ?   ?       ?      ? 
1 1 1  -44    4    2 o  206.788   5.6112  2724.95  147.353  2724.95  147.353   0.0000   0.0000  206.788   5.6112  ?   ?       ?      ? 
1 1 1  -44    4    3 o  162.627   10.154  1698.95  209.700  1698.95  209.700   0.0000   0.0000  162.627   10.154  ?   ?       ?      ? 
1 1 1  -44    4    4 o   77.760   10.345  398.386   98.618  256.708  133.277  569.823  146.608   61.585   16.645   93.934   12.290 -32.34922 20.69056 
1 1 1  -44    4    5 o   90.322   9.8404  526.539  101.596  241.484  132.198  937.783  158.786   59.846   16.739  120.799   10.351 -60.95319 19.68089 
1 1 1  -44    4    6 o  121.596   6.9139  918.342  103.948  824.248  130.332  1082.82  172.318  113.407   9.0497  129.784   10.455 -16.37664 13.82775 
1 1 1  -44    4    7 o  101.412   8.6315  652.881  109.443  510.388  145.615  837.881  165.918   88.809   12.911  114.016   11.459 -25.20705 17.26304 
1 1 1  -44    4    8 o  107.130   8.4663  731.654  113.960  681.326  148.786  803.083  177.253  102.812   11.396  111.449   12.524 -8.636688 16.93250 
1 1 1  -44    4   10 o  453.397   6.7858 13126.99  390.712   0.0000   0.0000 13126.99  390.712  ?   ?   453.397   6.7858      ?      ? 
1 1 1  -44    4   11 o  179.526   7.8846  2062.80  179.756  2062.80  179.756   0.0000   0.0000  179.526   7.8846  ?   ?       ?      ? 
1 1 1  -44    4   12 o   33.444   11.134 -203.6230  126.090 -88.2459  166.278 -359.7400  193.420   36.416   16.535   30.472   14.914 5.943630 22.26784 
1 1 1  -44    4   13 o   73.246   12.995  362.503  124.151  236.615  169.191  509.365  182.742   60.050   19.439   86.442   17.251 -26.39188 25.99051 
1 1 1  -44    4   14 o   52.013   13.827  142.175  123.893  142.057  171.608  142.303  179.052   51.724   19.365   52.302   19.740 -0.5773468 27.65309 
1 1 1  -44    4   15 o   61.061   14.623  240.452  135.208  220.420  191.012  260.569  191.414   59.317   20.664   62.805   20.696 -3.487957 29.24570 
1 1 1  -44    4   16 f   72.919   13.833  349.648  140.128  576.643  210.201  168.081  187.994   91.145   18.785   54.694   20.310 36.45124 27.66520 
1 1 1  -44    4   17 o   59.769   14.693  229.686  136.796  248.675  190.134  209.307  196.966   61.274   20.638   58.263   20.920 3.010765 29.38619 
1 1 1  -44    4   18 f   58.228   14.908  210.107  141.689  218.406  205.397  202.573  195.710   59.089   21.344   57.367   20.818 1.721622 29.81548 
1 1 1  -44    4   19 o   31.528   10.850 -401.2403  144.226 -679.9930  208.946 -147.5658  199.326   25.787   13.042   37.269   17.345 -11.48215 21.70085 
1 1 1  -44    4   20 o   68.631   15.775  360.214  184.468 -84.1286  355.800  523.560  215.726   52.923   24.092   84.338   20.371 -31.41499 31.54966 
1 1 1  -44    4   21 o   29.384   14.681 -547.6763  226.038   0.0000   0.0000 -547.6763  226.038  ?   ?    29.384   14.681      ?      ? 
1 1 1  -44    6    1 o   22.654   8.0517 -407.9688   99.462 -416.6745  131.050 -396.1411  152.752   20.947   10.562   24.362   12.156 -3.414637 16.10349 
1 1 1  -44    6    2 o  105.416   10.266  715.157  137.431  715.157  137.431   0.0000   0.0000  105.416   10.266  ?   ?       ?      ? 
1 1 1  -44    6    6 o   74.204   23.873  372.210  255.472   0.0000   0.0000  372.210  255.472  ?   ?    74.204   23.873      ?      ? 
1 1 1  -44    6    7 o   97.570   11.466  668.176  131.779  827.929  176.079  464.764  198.688  113.097   12.260   82.043   19.379 31.05399 22.93135 
1 1 1  -44    6    8 o   33.392   11.148 -183.2014  122.260 -178.8243  161.459 -189.0841  187.182   31.886   15.081   34.898   16.423 -3.012232 22.29671 
1 1 1  -44    6    9 o   54.375   11.664   32.749  120.658 -258.2100  157.809  442.194  187.203   28.647   13.898   80.103   18.737 -51.45560 23.32820 
1 1 1  -44    6   10 o   32.942   10.890 -164.9197  116.210 -73.3619  153.709 -287.0811  177.549   35.463   16.020   30.421   14.754 5.041851 21.77917 
1 1 1  -44    6   11 o   42.901   12.541   21.554  115.592 -67.6099  161.972  114.100  165.014   36.831   16.559   48.971   18.838 -12.13982 25.08115 
1 1 1  -44    6   12 o  161.937   6.2404  1682.90  128.161  1661.52  176.265  1706.89  186.677  160.887   8.6272  162.987   9.0190 -2.100113 12.48085 
1 1 1  -44    6   13 o   62.622   13.864  264.432  122.885  286.960  171.540  240.685  176.122   64.772   19.361   60.471   19.849 4.300858 27.72763 
1 1 1  -44    6   14 o   48.195   13.458   74.086  129.605 -53.3104  188.809  187.601  178.226   40.674   18.112   55.715   19.911 -15.04106 26.91599 
1 1 1  -44    6   15 o   44.675   13.368 -16.7163  139.796 -167.5860  197.762  133.969  197.641   36.699   17.145   52.651   20.514 -15.95198 26.73557 
1 1 1  -44    6   16 o   51.884   14.440  116.039  140.101   60.815  187.312  186.164  211.073   46.670   19.330   57.097   21.457 -10.42632 28.87992 
1 1 1  -44    6   17 o   49.857   14.116  106.531  135.585   94.813  187.530  119.367  196.261   48.671   19.649   51.043   20.272 -2.372059 28.23206 
1 1 1  -44    6   18 o   43.454   13.860 -329.7775  171.457  176.799  281.712 -627.8337  216.088   59.624   24.079   27.283   13.732 32.34108 27.71905 
1 1 1  -44    6   19 o   48.981   15.896 -104.0540  197.549   25.185  379.926 -151.9436  231.272   57.842   25.728   40.119   18.675 17.72255 31.79157 
1 1 1  -44    6   20 o   58.280   15.889  183.084  180.483 -15.4202  261.048  364.859  249.805   47.538   21.223   69.021   23.654 -21.48332 31.77888 
1 1 1  -44    6   21 o  213.893   11.994  3083.65  325.790   0.0000   0.0000  3083.65  325.790  ?   ?   213.893   11.994      ?      ? 
1 1 1  -44    8    1 o   49.506   11.458   63.101  101.822 -115.8233  131.918  326.806  160.150   30.193   14.071   68.819   18.087 -38.62617 22.91626 
1 1 1  -44    8    2 o   61.352   10.574  207.458  101.899 -13.0862  136.488  485.187  153.164   36.526   15.855   86.178   13.995 -49.65261 21.14856 
1 1 1  -44    8    3 o  234.760   4.5976  3552.60  134.675  3711.27  177.175  3335.47  207.264  241.174   5.7849  228.346   7.1475 12.82817 9.195191 
1 1 1  -44    8    4 o  198.894   5.0247  2542.74  123.901  2590.42  159.704  2470.65  196.369  201.412   6.2439  196.375   7.8742 5.036942 10.04935 
1 1 1  -44    8    5 o   69.442   11.369  313.268  107.361  136.303  145.517  524.665  159.045   49.246   17.939   89.638   13.972 -40.39174 22.73767 
1 1 1  -44    8    6 o   46.743   11.908  104.965  102.509  211.324  130.531 -66.1790  165.580   56.150   16.913   37.336   16.768 18.81391 23.81644 
1 1 1  -44    8    7 o   65.761   12.632  286.340  108.114  223.034  140.988  376.700  168.440   57.681   17.623   73.841   18.102 -16.15959 25.26388 
1 1 1  -44    8    8 o   93.493   12.828  563.044  147.236  820.982  235.722  398.031  188.539  111.376   16.666   75.611   19.506 35.76586 25.65635 
1 1 1  -44    8    9 o   58.738   13.420  198.827  122.970   65.493  165.443  363.420  183.817   45.216   18.384   72.259   19.555 -27.04323 26.83972 
1 1 1  -44    8   10 o  102.370   9.9255  686.934  129.019  689.005  183.928  684.927  181.027  102.500   14.130  102.239   13.943 0.2609024 19.85095 
1 1 1  -44    8   11 o   49.251   13.449  112.533  120.999   61.146  172.365  162.458  169.898   45.486   18.660   53.017   19.372 -7.530823 26.89732 
1 1 1  -44    8   12 o   71.127   13.835  356.233  129.162  327.599  187.051  382.330  178.571   68.457   20.158   73.796   18.955 -5.339401 27.67005 
1 1 1  -44    8   13 o   93.106   11.862  605.585  133.700  695.708  178.889  491.537  201.238  102.776   13.706   83.437   19.365 19.33958 23.72497 
1 1 1  -44    8   14 o  117.054   9.5455  916.657  139.729  1014.49  189.479  800.028  206.879  124.467   11.988  109.641   14.858 14.82554 19.09095 
1 1 1  -44    8   15 o   99.943   11.389  697.401  136.490  765.283  179.078  603.303  210.841  107.562   13.110   92.323   18.626 15.23981 22.77703 
1 1 1  -44    8   16 o   49.778   14.354   98.125  144.052  135.425  195.303   53.624  213.327   51.639   20.313   47.917   20.287 3.721432 28.70843 
1 1 1  -44    8   17 o   52.956   15.607   99.148  170.957  167.253  272.146   54.755  219.721   57.794   23.547   48.118   20.489 9.675743 31.21312 
1 1 1  -44    8   18 o   37.050   12.466 -226.5051  160.749 -174.2761  231.110 -275.4538  223.735   38.966   18.309   35.134   16.922 3.832314 24.93152 
1 1 1  -44    8   19 o   39.497   19.281 -432.2160  317.036   0.0000   0.0000 -432.2160  317.036  ?   ?    39.497   19.281      ?      ? 
1 1 1  -44   10    1 o   64.394   12.478  265.802  110.787  137.338  145.107  445.332  171.541   48.855   17.895   79.933   17.393 -31.07866 24.95546 
1 1 1  -44   10    2 o   71.980   12.348  353.100  110.408  308.133  142.922  419.650  173.870   66.547   16.885   77.414   18.023 -10.86676 24.69653 
1 1 1  -44   10    3 o  127.604   6.9742  1065.07  110.455  1114.41  143.928  994.380  172.281  131.522   8.6172  123.687   10.968 7.835495 13.94841 
1 1 1  -44   10    4 o   52.283   12.958  150.580  108.053   79.063  140.469  254.228  169.105   43.467   17.186   61.099   19.399 -17.63214 25.91654 
1 1 1  -44   10    5 o   37.963   11.727 -28.1698  109.771   36.934  148.263 -107.1544  163.305   41.100   17.124   34.826   16.028 6.273243 23.45485 
1 1 1  -44   10    6 o   95.303   10.886  675.917  117.010  883.053  153.146  385.406  181.367  116.702   10.334   73.905   19.164 42.79736 21.77230 
1 1 1  -44   10    7 o   45.259   12.860   76.585  114.322  121.211  147.167   8.6775  181.542   47.589   17.911   42.930   18.460 4.658745 25.72078 
1 1 1  -44   10    8 o   61.673   13.114  260.479  122.781  394.115  163.777   88.992  185.527   75.041   17.507   48.305   19.529 26.73663 26.22705 
1 1 1  -44   10    9 o   51.715   13.478  156.175  116.604  175.301  153.646  130.198  179.061   52.784   18.524   50.646   19.583 2.137123 26.95679 
1 1 1  -44   10   10 o   63.822   14.095  277.941  126.857  223.943  168.729  348.152  192.399   57.849   19.442   69.794   20.414 -11.94489 28.19033 
1 1 1  -44   10   11 o  110.140   10.547  857.227  135.833  1009.23  178.555  648.420  209.274  124.125   11.328   96.154   17.794 27.97073 21.09334 
1 1 1  -44   10   12 o  123.660   8.5271  1007.84  133.270  1001.12  179.751  1016.05  198.601  123.422   11.468  123.897   12.622 -0.4745865 17.05425 
1 1 1  -44   10   13 o   39.218   12.292 -27.9517  104.770 -50.8034  120.508   42.798  212.041   31.398   14.184   47.037   20.080 -15.63872 24.58494 
1 1 1  -44   10   14 o   40.849   17.940  -8.9271  179.179  -8.9271  179.179   0.0000   0.0000   40.849   17.940  ?   ?       ?      ? 
1 1 1  -44   10   15 o   53.434   14.008  -3.6767  162.431 -366.2272  219.878  431.865  240.997   32.404   15.869   74.465   23.089 -42.06094 28.01635 
1 1 1  -44   10   16 o   32.433   16.361 -878.6994  316.614   0.0000   0.0000 -878.6994  316.614  ?   ?    32.433   16.361      ?      ? 
1 1 1  -44   10   17 o  308.907   13.009  6517.62  510.319   0.0000   0.0000  6517.62  510.319  ?   ?   308.907   13.009      ?      ? 
1 1 1  -44   12    1 o  103.814   17.325  1141.91  208.718  1262.39  219.977   54.529  660.842  137.453   12.602   70.176   32.277 67.27663 34.64986 
1 1 1  -44   12    2 o   73.827   20.817  285.257  202.058  235.845  214.149  686.108  609.950   59.386   21.742   88.267   35.506 -28.88037 41.63412 
1 1 1  -44   12    3 o   92.402   19.356  697.717  206.070  713.277  221.187  595.413  567.150   99.853   18.110   84.951   34.215 14.90227 38.71204 
1 1 1  -44   12    4 o   68.908   19.695  291.773  211.563  303.733  226.163  208.017  598.518   65.041   22.494   72.775   32.335 -7.733994 39.39001 
1 1 1  -44   12    5 o  114.382   16.101  897.983  233.883  897.983  233.883   0.0000   0.0000  114.382   16.101  ?   ?       ?      ? 
1 1 1  -44   12    6 o  113.103   10.185  838.919  146.287  838.919  146.287   0.0000   0.0000  113.103   10.185  ?   ?       ?      ? 
1 1 1  -44   12    7 o   50.578   18.027  165.268  145.997  165.268  145.997   0.0000   0.0000   50.578   18.027  ?   ?       ?      ? 
1 1 1  -44   12    8 o   68.265   17.029  336.245  147.144  336.245  147.144   0.0000   0.0000   68.265   17.029  ?   ?       ?      ? 
1 1 1  -44   12    9 o   32.346   15.122 -121.6547  154.290 -121.6547  154.290   0.0000   0.0000   32.346   15.122  ?   ?       ?      ? 
1 1 1  -44   12   10 o   33.082   15.271 -90.1159  149.799 -90.1159  149.799   0.0000   0.0000   33.082   15.271  ?   ?       ?      ? 
1 1 1  -44   12   11 o   71.846   17.987  382.531  163.740  382.531  163.740   0.0000   0.0000   71.846   17.987  ?   ?       ?      ? 
1 1 1  -44   14    1 o   27.979   13.303 -130.0387  128.898 -130.0387  128.898   0.0000   0.0000   27.979   13.303  ?   ?       ?      ? 
1 1 1  -44   14    2 o   31.026   14.343 -74.9126  132.900 -74.9126  132.900   0.0000   0.0000   31.026   14.343  ?   ?       ?      ? 
1 1 1  -44   14    3 o   49.224   17.331  171.357  134.557  171.357  134.557   0.0000   0.0000   49.224   17.331  ?   ?       ?      ? 
1 1 1  -44   14    4 o   30.127   14.332 -148.0946  149.971 -148.0946  149.971   0.0000   0.0000   30.127   14.332  ?   ?       ?      ? 
1 1 1  -44   14    5 o   23.103   11.580 -378.4232  145.846 -378.4232  145.846   0.0000   0.0000   23.103   11.580  ?   ?       ?      ? 
1 1 1  -44   14    6 o   42.121   17.064   86.568  141.951   86.568  141.951   0.0000   0.0000   42.121   17.064  ?   ?       ?      ? 
1 1 1  -44   14    7 o   32.543   15.144 -93.1414  151.943 -93.1414  151.943   0.0000   0.0000   32.543   15.144  ?   ?       ?      ? 
1 1 1  -44   14    8 o   33.695   15.261 -39.4537  140.529 -39.4537  140.529   0.0000   0.0000   33.695   15.261  ?   ?       ?      ? 
1 1 1  -44   14    9 o   42.507   19.778 -89.2984  258.981 -89.2984  258.981   0.0000   0.0000   42.507   19.778  ?   ?       ?      ? 
1 1 1  -43    1    1 o  216.582   4.3171  2991.64  118.314  3018.29  161.063  2960.39  174.372  217.666   5.8268  215.498   6.3717 2.167679 8.634237 
1 1 1  -43    1    2 o   46.392   11.808  118.185   89.481   90.739  127.538  144.793  125.576   43.793   16.628   48.992   16.771 -5.199181 23.61692 
1 1 1  -43    1    3 o   56.773   10.616  195.175   91.241  382.493  131.340   20.462  126.844   75.731   14.178   37.816   15.804 37.91507 21.23177 
1 1 1  -43    1    4 o   61.681   11.180  262.164   92.891  365.354  126.076  139.630  137.386   74.032   13.921   49.330   17.497 24.70172 22.35943 
1 1 1  -43    1    5 o   98.702   7.8782  625.200   98.614  672.411  141.734  580.899  137.295  102.334   10.906   95.070   11.372 7.264107 15.75644 
1 1 1  -43    1    6 o   73.177   10.216  356.970   92.703  434.740  130.867  278.639  131.338   82.131   12.547   64.222   16.127 17.90903 20.43272 
1 1 1  -43    1    7 o   43.984   11.781   77.114   95.056  -2.0789  134.536  156.057  134.324   37.231   15.947   50.737   17.345 -13.50532 23.56190 
1 1 1  -43    1    8 o   68.010   10.996  299.445   99.308  475.070  146.876  151.542  134.787   85.728   13.491   50.293   17.367 35.43538 21.99160 
1 1 1  -43    1    9 o   66.332   11.664  297.447   98.022  266.742  136.422  330.218  140.938   62.822   16.782   69.843   16.204 -7.020359 23.32773 
1 1 1  -43    1   10 o  147.048   5.8552  1378.43  108.995  1330.11  147.394  1436.74  161.911  144.243   8.0465  149.853   8.5081 -5.610245 11.71042 
1 1 1  -43    1   11 o   46.527   12.132   79.634  106.012 -61.9669  152.716  211.334  147.280   36.054   16.154   57.000   18.104 -20.94579 24.26364 
1 1 1  -43    1   12 o   83.394   10.832  463.792  109.875  442.771  146.579  490.753  166.001   81.347   14.731   85.441   15.884 -4.093781 21.66347 
1 1 1  -43    1   13 o  125.524   8.1757  1012.83  128.518  996.807  167.769  1035.58  199.938  124.479   10.613  126.570   12.439 -2.091377 16.35136 
1 1 1  -43    1   15 o   24.273   12.313 -783.3488  141.221 -701.4774  195.292 -873.0835  204.456   24.273   12.313  ?   ?       ?      ? 
1 1 1  -43    1   16 f   33.950   11.238 -208.9133  125.724 -357.3115  176.987 -57.7570  178.624   28.447   13.992   39.453   17.589 -11.00599 22.47542 
1 1 1  -43    1   17 o   48.136   13.383   93.635  121.432  143.532  171.461   43.423  172.001   51.803   19.365   44.470   18.479 7.333050 26.76665 
1 1 1  -43    1   18 o   72.168   13.986  364.579  132.321  331.927  192.783  393.664  181.947   69.202   20.489   75.135   19.044 -5.933426 27.97254 
1 1 1  -43    1   19 o   75.894   13.691  411.309  138.697  563.976  191.909  244.366  200.681   90.442   17.340   61.345   21.191 29.09690 27.38109 
1 1 1  -43    1   20 o   96.943   12.155  642.116  146.313  695.508  210.109  591.848  203.868  101.830   16.248   92.056   18.084 9.774132 24.31089 
1 1 1  -43    1   21 o   64.674   15.117  253.577  155.052  471.627  235.683   87.188  205.880   79.874   22.354   49.474   20.356 30.39965 30.23312 
1 1 1  -43    1   22 f   49.291   16.596 -242.4834  216.446 -21.5460  480.811 -298.6359  242.396   61.849   28.097   36.733   17.672 25.11600 33.19260 
1 1 1  -43    3    1 o  272.686   3.9320  4728.39  135.947  4601.77  186.181  4873.01  198.974  268.798   5.4542  276.573   5.6651 -7.775299 7.863948 
1 1 1  -43    3    2 o  143.498   6.4426  1352.63  111.091  1435.75  139.026  1205.82  184.768  149.969   7.2999  137.028   10.618 12.94072 12.88524 
1 1 1  -43    3    3 o  118.948   6.2450  905.782   94.093  911.043  128.774  899.755  137.822  119.353   8.4960  118.543   9.1551 0.8101273 12.48993 
1 1 1  -43    3    4 o   50.773   12.311  155.143   95.540  144.040  130.202  168.094  140.627   49.210   17.065   52.335   17.748 -3.124783 24.62127 
1 1 1  -43    3    5 o   93.434   7.9345  564.132   93.545  630.293  131.409  496.163  133.193   99.094   10.442   87.774   11.949 11.31986 15.86905 
1 1 1  -43    3    6 o   90.352   8.8913  528.339  101.557  549.331  138.998  504.301  148.743   92.362   11.850   88.341   13.259 4.021355 17.78267 
1 1 1  -43    3    7 o   49.658   11.187  107.889   95.004 -52.0870  129.337  295.353  140.008   33.305   14.898   66.012   16.691 -32.70739 22.37325 
1 1 1  -43    3    8 o   48.133   10.957  100.996   92.385 -65.7116  129.225  275.279  132.128   32.500   14.685   63.765   16.265 -31.26521 21.91326 
1 1 1  -43    3    9 o  111.420   7.6780  797.932  107.241  637.677  147.750  976.359  155.902   99.489   11.694  123.351   9.9524 -23.86237 15.35603 
1 1 1  -43    3   10 o   37.931   11.765 -60.5643  111.447 -145.0250  150.040   43.389  166.456   31.714   14.854   44.149   18.248 -12.43464 23.52944 
1 1 1  -43    3   11 o   35.455   11.294 -65.2799  105.635 -29.7815  133.320 -125.1591  173.152   35.186   15.463   35.725   16.465 -0.5391273 22.58757 
1 1 1  -43    3   12 o   34.952   11.310 -130.8916  118.377 -18.3232  153.372 -296.7706  186.180   38.580   16.777   31.325   15.172 7.254797 22.62033 
1 1 1  -43    3   14 o   29.648   10.313 -391.3973  135.030 -314.9066  196.229 -460.1915  186.095   32.018   15.524   27.279   13.580 4.738831 20.62617 
1 1 1  -43    3   15 o   47.983   13.461   63.054  128.737  180.976  184.712 -48.3334  179.522   55.908   20.234   40.058   17.758 15.85050 26.92149 
1 1 1  -43    3   16 o   71.923   13.950  354.498  130.585  394.219  197.498  323.643  174.064   75.292   20.225   68.553   19.219 6.739388 27.90074 
1 1 1  -43    3   17 o   42.677   12.751 -56.8322  131.622 -242.4370  183.008  142.056  189.444   32.415   15.532   52.939   20.227 -20.52435 25.50182 
1 1 1  -43    3   18 o   89.963   13.169  582.170  147.123  377.302  219.342  749.723  198.363   73.256   21.892  106.670   14.643 -33.41380 26.33830 
1 1 1  -43    3   19 o   36.040   11.927 -171.0341  135.720 -126.9871  200.871 -208.0320  184.097   38.568   17.760   33.513   15.924 5.055344 23.85312 
1 1 1  -43    3   20 o   59.901   15.110  230.805  145.221  207.381  202.090  255.815  208.823   57.843   21.129   61.960   21.604 -4.117237 30.21910 
1 1 1  -43    3   21 f   76.812   18.038  327.743  183.803  755.464  385.131  201.590  209.159   96.428   29.053   57.197   21.386 39.23074 36.07552 
1 1 1  -43    3   22 o   64.392   18.691  186.310  221.674  438.679  425.342   92.201  259.738   76.010   29.952   52.774   22.366 23.23624 37.38189 
1 1 1  -43    3   23 o   27.519   13.939 -777.6381  244.266   0.0000   0.0000 -777.6381  244.266  ?   ?    27.519   13.939      ?      ? 
1 1 1  -43    5    1 f  101.634   6.9487  655.033   87.554  628.041  111.272  698.909  141.869   99.021   8.8488  104.247   10.716 -5.226479 13.89748 
1 1 1  -43    5    2 o  105.211   7.0279  697.641   92.950  621.486  121.389  805.579  144.517   98.421   9.7121  112.000   10.161 -13.57817 14.05581 
1 1 1  -43    5    3 o  108.837   7.0827  742.649   96.262  669.075  123.252  857.718  154.139  102.147   9.5015  115.528   10.506 -13.38091 14.16547 
1 1 1  -43    5    4 o  147.194   6.9882  1383.06  130.627  1383.06  130.627   0.0000   0.0000  147.194   6.9882  ?   ?       ?      ? 
1 1 1  -43    5    5 o   33.415   10.431 -125.4087   95.747 -279.2012  129.120   62.467  142.712   23.914   11.799   42.915   17.206 -19.00188 20.86271 
1 1 1  -43    5    6 o  182.946   4.8734  2151.25  111.213  2222.64  145.686  2051.55  172.169  186.706   6.1444  179.185   7.5662 7.521271 9.746845 
1 1 1  -43    5    7 o   59.977   11.268  254.693   97.432  376.766  125.709   71.036  154.191   75.150   13.676   44.804   17.912 30.34686 22.53612 
1 1 1  -43    5    8 o   36.917   11.384 -78.3937  104.827 -184.7872  137.260   70.509  162.382   28.225   13.505   45.608   18.329 -17.38239 22.76726 
1 1 1  -43    5    9 o  120.705   7.5129  877.231  111.327  658.583  139.247  1264.57  185.336  101.160   10.839  140.250   10.406 -39.09019 15.02572 
1 1 1  -43    5   10 o  108.555   11.345  759.578  156.397  759.578  156.397   0.0000   0.0000  108.555   11.345  ?   ?       ?      ? 
1 1 1  -43    5   11 o  415.063   6.6180 10997.97  348.833   0.0000   0.0000 10997.97  348.833  ?   ?   415.063   6.6180      ?      ? 
1 1 1  -43    5   12 o   46.422   19.085   56.933  180.805   0.0000   0.0000   56.933  180.805  ?   ?    46.422   19.085      ?      ? 
1 1 1  -43    5   13 f   56.504   12.880  184.126  120.361  342.267  164.062  -0.1878  177.120   70.572   18.191   42.436   18.240 28.13691 25.76070 
1 1 1  -43    5   14 o   87.224   12.479  521.673  133.353  484.929  192.018  555.906  185.340   83.914   18.515   90.534   16.737 -6.620476 24.95894 
1 1 1  -43    5   15 o   70.175   14.139  341.251  132.338  363.973  181.811  315.647  192.998   72.442   19.383   67.907   20.591 4.535202 28.27820 
1 1 1  -43    5   16 o   51.467   14.578  104.018  145.046  126.857  202.334   79.872  208.038   52.769   20.702   50.164   20.530 2.605095 29.15544 
1 1 1  -43    5   17 o   45.599   13.597  -7.5820  144.066 -166.4270  207.891  139.182  199.829   37.962   17.682   53.236   20.659 -15.27418 27.19322 
1 1 1  -43    5   18 o  112.597   9.9434  833.346  141.398  962.497  206.899  720.163  193.687  120.924   13.473  104.270   14.627 16.65351 19.88675 
1 1 1  -43    5   19 o   36.602   12.075 -232.2634  143.534 -419.7896  196.825 -19.2616  209.769   29.099   14.396   44.105   19.389 -15.00566 24.14939 
1 1 1  -43    5   20 o   77.702   22.100  449.305  228.446   0.0000   0.0000  449.305  228.446  ?   ?    77.702   22.100      ?      ? 
1 1 1  -43    5   21 o   40.594   13.961 -309.8662  187.980 -322.7485  379.363 -305.6737  216.418   47.494   22.649   33.695   16.329 13.79945 27.92171 
1 1 1  -43    5   22 o   41.112   13.597 -149.8429  174.822 -122.5424  227.896 -188.8804  272.517   40.203   18.655   42.020   19.787 -1.817017 27.19449 
1 1 1  -43    5   23 o   45.388   21.246 -141.4064  306.151   0.0000   0.0000 -141.4064  306.151  ?   ?    45.388   21.246      ?      ? 
1 1 1  -43    7    1 o  205.165   7.6575  2692.81  199.510   0.0000   0.0000  2692.81  199.510  ?   ?   205.165   7.6575      ?      ? 
1 1 1  -43    7    2 o  381.481   5.8091  9279.80  281.422  9279.80  281.422   0.0000   0.0000  381.481   5.8091  ?   ?       ?      ? 
1 1 1  -43    7    8 o   63.644   13.652  232.511  128.654   86.224  167.173  445.002  201.480   47.118   18.711   80.171   19.886 -33.05274 27.30471 
1 1 1  -43    7    9 o   46.109   12.993   57.839  119.284 -34.7233  165.848  157.036  171.689   39.127   17.220   53.091   19.463 -13.96393 25.98690 
1 1 1  -43    7   10 o   32.413   10.836 -207.9304  119.587 -307.9885  167.018 -102.6667  171.307   28.445   13.909   36.381   16.621 -7.936159 21.67298 
1 1 1  -43    7   11 o   79.473   11.964  432.114  123.894  195.402  172.346  685.253  178.226   56.381   19.629  102.565   13.683 -46.18377 23.92751 
1 1 1  -43    7   12 o   84.405   11.663  467.404  121.889  366.091  160.978  603.533  186.599   72.930   17.586   95.880   15.325 -22.95040 23.32649 
1 1 1  -43    7   13 o  139.199   7.8621  1251.71  138.873  1199.68  192.019  1308.76  201.088  136.175   11.104  142.224   11.134 -6.048828 15.72417 
1 1 1  -43    7   14 o   63.152   14.475  262.490  136.031  344.479  191.774  179.461  192.987   70.345   20.325   55.959   20.616 14.38603 28.95069 
1 1 1  -43    7   15 o   71.508   13.436  349.591  134.685  159.158  188.379  548.735  192.639   53.892   20.268   89.123   17.645 -35.23034 26.87232 
1 1 1  -43    7   16 o   54.013   14.315  157.132  134.903  221.982  191.759   93.587  189.820   58.942   20.694   49.083   19.785 9.859547 28.63055 
1 1 1  -43    7   17 o   53.932   14.234  123.837  143.513  302.742  206.942 -41.9245  199.196   65.899   21.510   41.966   18.650 23.93351 28.46892 
1 1 1  -43    7   18 o   46.893   14.541 -15.1506  169.700 -245.3969  299.295   93.943  206.017   43.955   20.710   49.832   20.416 -5.876801 29.08152 
1 1 1  -43    7   19 o   52.876   15.865   80.787  182.894  118.203  283.376   54.075  239.441   56.009   23.529   49.742   21.289 6.266918 31.73078 
1 1 1  -43    7   20 o   54.142   15.500   9.6455  203.931 -471.0659  311.730  369.287  269.632   38.740   18.955   69.544   24.528 -30.80333 30.99919 
1 1 1  -43    7   21 o  101.903   10.396  324.132  199.067 -709.3263  249.771  2123.64  329.589   28.886   14.567  174.920   14.837 -146.0342 20.79263 
1 1 1  -43    7   22 o   32.681   16.391 -693.6445  294.341   0.0000   0.0000 -693.6445  294.341  ?   ?    32.681   16.391      ?      ? 
1 1 1  -43    9    1 o  226.045   4.7843  3323.18  133.021  3523.20  171.341  3019.72  211.044  234.972   5.7421  217.118   7.6542 17.85352 9.568577 
1 1 1  -43    9    2 o  113.434   7.5699  825.239  108.271  786.213  143.451  876.898  165.045  110.421   10.230  116.447   11.161 -6.025322 15.13989 
1 1 1  -43    9    3 o  103.456   8.4719  696.109  109.941  708.949  145.441  678.989  167.935  104.752   10.933  102.161   12.944 2.590141 16.94372 
1 1 1  -43    9    4 o   58.962   12.716  237.124  103.827  266.562  131.102  187.598  170.049   62.447   16.342   55.478   19.487 6.968708 25.43267 
1 1 1  -43    9    5 f   61.887   12.410  231.899  109.685   97.025  143.712  420.092  169.758   45.603   17.569   78.171   17.533 -32.56730 24.82072 
1 1 1  -43    9    6 o  147.448   6.1848  1417.09  113.415  1523.66  149.745  1273.72  173.695  154.242   7.6449  140.654   9.7243 13.58871 12.36955 
1 1 1  -43    9    7 o   73.743   11.640  373.277  105.472  380.899  139.645  363.155  160.928   74.917   15.198   72.569   17.635 2.347641 23.28036 
1 1 1  -43    9    8 o  111.226   11.407  801.252  161.125  801.252  161.125   0.0000   0.0000  111.226   11.407  ?   ?       ?      ? 
1 1 1  -43    9    9 o   62.127   12.671  239.985  131.065 -54.3991  198.639  466.963  174.422   41.805   18.599   82.449   17.214 -40.64380 25.34273 
1 1 1  -43    9   10 f  123.293   8.3403  982.973  130.266  901.390  177.715  1077.71  191.505  117.769   11.883  128.817   11.707 -11.04774 16.68061 
1 1 1  -43    9   11 o   75.839   13.244  406.761  127.144  453.246  171.021  349.322  190.106   81.037   17.153   70.641   20.185 10.39658 26.48849 
1 1 1  -43    9   12 o   96.880   11.607  648.683  136.178  774.304  187.488  508.406  198.123  108.550   13.601   85.209   18.812 23.34068 23.21391 
1 1 1  -43    9   13 o   61.419   14.134  253.747  132.120  341.186  177.299  144.564  198.121   69.577   19.359   53.261   20.598 16.31666 28.26714 
1 1 1  -43    9   14 o   89.430   12.425  553.152  137.609  768.653  201.203  363.758  188.623  107.457   14.744   71.403   20.003 36.05357 24.84977 
1 1 1  -43    9   15 o   36.536   16.883 -120.6261  183.814 -120.6261  183.814   0.0000   0.0000   36.536   16.883  ?   ?       ?      ? 
1 1 1  -43    9   16 o   80.116   13.681  450.601  137.415  351.651  179.237  591.690  214.027   69.624   19.497   90.608   19.197 -20.98355 27.36180 
1 1 1  -43    9   17 o   67.381   14.234  310.329  170.344 -126.5832  270.536  597.340  219.269   44.572   20.556   90.190   19.696 -45.61728 28.46887 
1 1 1  -43    9   18 o   51.792   15.195 -253.7273  193.158 -659.1529  242.847  444.494  318.694   29.154   14.658   74.429   26.622 -45.27444 30.39068 
1 1 1  -43    9   19 o  235.639   8.2798  3835.28  236.675  4182.54  303.448  3295.93  378.172  251.878   9.4867  219.400   13.573 32.47827 16.55969 
1 1 1  -43    9   20 o   39.086   12.955 -132.4964  153.302 -165.4238  190.926 -72.7471  257.190   34.401   16.308   43.770   20.133 -9.369476 25.90949 
1 1 1  -43    9   21 o   42.770   20.093 -127.8039  278.102   0.0000   0.0000 -127.8039  278.102  ?   ?    42.770   20.093      ?      ? 
1 1 1  -43   11    1 o   42.714   12.471   44.689  109.994   7.6332  148.275   90.035  164.024   39.014   16.727   46.415   18.502 -7.400871 24.94184 
1 1 1  -43   11    2 o   67.394   10.209  351.399  107.020  608.320  136.382 -60.3378  172.651   96.636   11.113   38.153   17.130 58.48340 20.41886 
1 1 1  -43   11    3 o   56.260   13.080  213.495  109.205  251.303  138.058  150.294  178.496   60.244   17.196   52.276   19.715 7.967766 26.16069 
1 1 1  -43   11    4 o   60.090   12.238  246.497  107.192  369.658  146.993  106.620  156.652   73.046   16.264   47.135   18.292 25.91019 24.47659 
1 1 1  -43   11    5 o   48.726   12.213  104.586  110.373  260.353  151.039 -73.9147  161.686   61.313   18.131   36.139   16.369 25.17344 24.42668 
1 1 1  -43   11    6 o  113.666   8.3239  858.064  116.852  916.321  152.112  774.188  182.520  118.878   10.076  108.453   13.252 10.42526 16.64774 
1 1 1  -43   11    7 o   38.410   11.896 -37.8577  111.736 -102.0881  148.889   44.959  169.064   33.053   15.245   43.766   18.265 -10.71373 23.79115 
1 1 1  -43   11    8 o  116.229   8.7412  907.510  125.409  1100.51  173.105  694.320  181.934  130.081   10.479  102.377   13.994 27.70419 17.48241 
1 1 1  -43   11    9 o   68.638   12.664  325.939  101.611  322.749  117.496  335.402  202.373   68.648   13.953   68.629   21.138 0.1872253E-01 25.32810 
1 1 1  -43   11   10 o   56.904   13.653  213.750  111.449  217.949  132.237  203.455  207.066   56.178   17.046   57.630   21.332 -1.452858 27.30608 
1 1 1  -43   11   11 o   56.336   13.261  213.125  104.231  219.444  121.914  195.958  200.944   56.126   16.202   56.545   20.998 -0.4183502 26.52185 
1 1 1  -43   11   12 o   41.339   12.587   5.5475  110.404 -23.6590  131.865   74.017  201.901   34.636   15.293   48.042   19.997 -13.40566 25.17460 
1 1 1  -43   11   13 o   35.741   11.747 -108.6184  121.980 -83.2881  148.535 -161.0842  213.770   33.500   15.369   37.981   17.771 -4.481503 23.49460 
1 1 1  -43   11   14 o   35.452   11.823 -162.7003  135.954 -117.6746  171.637 -238.5244  222.733   34.711   16.135   36.194   17.286 -1.482151 23.64590 
1 1 1  -43   11   15 o   68.837   16.373  366.932  164.000  384.090  195.224  325.787  302.312   71.002   20.505   66.671   25.532 4.330475 32.74675 
1 1 1  -43   11   16 o  217.466   8.7716  2869.66  222.289  2424.32  259.508  4096.78  430.777  190.783   10.711  244.148   13.894 -53.36543 17.54324 
1 1 1  -43   11   17 o   43.932   21.091 -286.7126  341.117   0.0000   0.0000 -286.7126  341.117  ?   ?    43.932   21.091      ?      ? 
1 1 1  -43   11   18 o   43.773   19.920 -31.2801  243.023   0.0000   0.0000 -31.2801  243.023  ?   ?    43.773   19.920      ?      ? 
1 1 1  -43   13    1 o  139.685   8.1673  1268.87  144.879  1268.87  144.879   0.0000   0.0000  139.685   8.1673  ?   ?       ?      ? 
1 1 1  -43   13    2 o   25.578   12.410 -194.7867  125.926 -194.7867  125.926   0.0000   0.0000   25.578   12.410  ?   ?       ?      ? 
1 1 1  -43   13    3 o   33.319   15.128 -59.3332  139.130 -59.3332  139.130   0.0000   0.0000   33.319   15.128  ?   ?       ?      ? 
1 1 1  -43   13    4 o   40.948   16.537   68.135  132.886   68.135  132.886   0.0000   0.0000   40.948   16.537  ?   ?       ?      ? 
1 1 1  -43   13    5 o   38.207   16.401   15.728  142.881   15.728  142.881   0.0000   0.0000   38.207   16.401  ?   ?       ?      ? 
1 1 1  -43   13    6 o   85.619   13.537  495.322  147.191  495.322  147.191   0.0000   0.0000   85.619   13.537  ?   ?       ?      ? 
1 1 1  -43   13    7 o   23.581   11.760 -347.4180  142.099 -347.4180  142.099   0.0000   0.0000   23.581   11.760  ?   ?       ?      ? 
1 1 1  -43   13    8 o   96.841   12.035  627.576  148.003  627.576  148.003   0.0000   0.0000   96.841   12.035  ?   ?       ?      ? 
1 1 1  -43   13    9 f   50.663   17.849  172.989  142.736  172.989  142.736   0.0000   0.0000   50.663   17.849  ?   ?       ?      ? 
1 1 1  -43   13   10 o  ?   ?  -719.8723  146.947 -719.8723  146.947   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -43   15    1 o   39.977   16.418   73.706  133.629   73.706  133.629   0.0000   0.0000   39.977   16.418  ?   ?       ?      ? 
1 1 1  -43   15    2 o   28.837   13.740 -138.7724  138.993 -138.7724  138.993   0.0000   0.0000   28.837   13.740  ?   ?       ?      ? 
1 1 1  -43   15    3 o   97.290   11.370  646.796  140.476  646.796  140.476   0.0000   0.0000   97.290   11.370  ?   ?       ?      ? 
1 1 1  -43   15    4 o   24.779   12.298 -310.0414  147.928 -310.0414  147.928   0.0000   0.0000   24.779   12.298  ?   ?       ?      ? 
1 1 1  -43   15    5 o   38.074   16.628   18.960  152.035   18.960  152.035   0.0000   0.0000   38.074   16.628  ?   ?       ?      ? 
1 1 1  -43   15    6 o   51.878   18.322  201.025  150.487  201.025  150.487   0.0000   0.0000   51.878   18.322  ?   ?       ?      ? 
1 1 1  -43   15    7 o   43.269   17.985   88.100  162.981   88.100  162.981   0.0000   0.0000   43.269   17.985  ?   ?       ?      ? 
1 1 1  -43   15    8 o   31.243   14.820 -135.0439  158.154 -135.0439  158.154   0.0000   0.0000   31.243   14.820  ?   ?       ?      ? 
1 1 1  -43   15    9 o   38.642   18.499 -195.8458  258.263 -195.8458  258.263   0.0000   0.0000   38.642   18.499  ?   ?       ?      ? 
1 1 1  -42    0    1 o  150.764   5.1338  1456.49  138.270  1456.49  138.270  1456.49  138.270  150.764   7.2603  150.764   7.2603 -0.000000 0.000000 
1 1 1  -42    0    2 o   34.834   13.481  109.648  120.614  109.648  120.614  109.648  120.614   34.834   19.065   34.834   19.065 -0.000000 0.000000 
1 1 1  -42    0    3 o  178.446   4.6590  2033.80  148.849  2033.80  148.849  2033.80  148.849  178.446   6.5888  178.446   6.5888 -0.000000 0.000000 
1 1 1  -42    0    4 o   54.500   14.262  255.453  129.501  255.453  129.501  255.453  129.501   54.500   20.170   54.500   20.170 -0.000000 0.000000 
1 1 1  -42    0    5 f   51.117   14.412  232.056  128.035  232.056  128.035  232.056  128.035   51.117   20.382   51.117   20.382 -0.000000 0.000000 
1 1 1  -42    0    6 o   36.216   13.815  120.434  124.919  120.434  124.919  120.434  124.919   36.216   19.538   36.216   19.538 -0.000000 0.000000 
1 1 1  -42    0    7 o  148.818   5.5904  1421.83  148.450  1421.83  148.450  1421.83  148.450  148.818   7.9060  148.818   7.9060 -0.000000 0.000000 
1 1 1  -42    0    8 o   83.712   9.3979  480.263  130.624  480.263  130.624  480.263  130.624   83.712   13.291   83.712   13.291 -0.000000 0.000000 
1 1 1  -42    0    9 o   54.175   15.159  260.433  142.023  260.433  142.023  260.433  142.023   54.175   21.438   54.175   21.438 -0.000000 0.000000 
1 1 1  -42    0   10 o   29.786   13.220   31.693  147.299   31.693  147.299   31.693  147.299   29.786   18.695   29.786   18.695 -0.000000 0.000000 
1 1 1  -42    0   11 o   17.004   8.7193 -295.3734  144.997 -295.3734  144.997 -295.3734  144.997   17.004   12.331   17.004   12.331 -0.000000 0.000000 
1 1 1  -42    0   12 o  189.308   5.4135  2293.57  183.368  2293.57  183.368  2293.57  183.368  189.308   7.6559  189.308   7.6559 -0.000000 0.000000 
1 1 1  -42    0   13 o  206.990   5.2904  2739.37  196.085  2739.37  196.085  2739.37  196.085  206.990   7.4818  206.990   7.4818 -0.000000 0.000000 
1 1 1  -42    0   14 o   17.161   8.8992 -473.4144  179.538 -473.4144  179.538 -473.4144  179.538   17.161   12.585   17.161   12.585 -0.000000 0.000000 
1 1 1  -42    0   17 o   25.378   12.278 -107.8150  177.041 -107.8150  177.041 -107.8150  177.041   25.378   17.364   25.378   17.364 -0.000000 0.000000 
1 1 1  -42    0   18 o   46.086   16.720  205.963  175.908  205.963  175.908  205.963  175.908   46.086   23.646   46.086   23.646 -0.000000 0.000000 
1 1 1  -42    0   19 o   72.279   17.070  438.832  197.544  438.832  197.544  438.832  197.544   72.279   24.140   72.279   24.140 -0.000000 0.000000 
1 1 1  -42    0   20 o   42.167   17.123  157.276  206.705  157.276  206.705  157.276  206.705   42.167   24.216   42.167   24.216 -0.000000 0.000000 
1 1 1  -42    0   21 o   27.096   13.155 -128.0492  207.202 -128.0492  207.202 -128.0492  207.202   27.096   18.604   27.096   18.604 -0.000000 0.000000 
1 1 1  -42    0   22 f   56.026   20.120  324.796  253.222  324.796  253.222  324.796  253.222   56.026   28.453   56.026   28.453 -0.000000 0.000000 
1 1 1  -42    0   23 o   92.227   17.757  687.114  254.253  687.114  254.253  687.114  254.253   92.227   25.112   92.227   25.112 -0.000000 0.000000 
1 1 1  -42    2    1 o  276.180   3.8467  4861.67  134.749  5076.83  189.114  4639.79  192.049  282.416   5.2730  269.944   5.6022 12.47180 7.693454 
1 1 1  -42    2    2 o  197.425   4.3687  2483.48  109.492  2501.40  153.172  2464.76  156.573  198.163   6.0867  196.687   6.2685 1.475830 8.737390 
1 1 1  -42    2    3 o   38.356   11.031   32.905   85.921   76.805  120.922 -11.8595  122.107   41.854   16.118   34.857   15.064 6.997448 22.06182 
1 1 1  -42    2    4 o   35.996   10.815   4.4252   86.254   14.089  118.299  -6.5435  126.032   36.201   15.205   35.791   15.385 0.4109116 21.63077 
1 1 1  -42    2    5 o   85.826   8.3599  473.583   91.007  479.414  126.120  467.248  131.452   86.405   11.494   85.246   12.143 1.158722 16.71984 
1 1 1  -42    2    6 o  121.019   6.4331  936.591   98.769  936.354  136.663  936.850  142.906  121.022   8.8922  121.016   9.2989 0.6431580E-02 12.86623 
1 1 1  -42    2    7 o   59.219   12.239  232.923   97.740  237.080  141.844  229.165  134.871   59.736   17.544   58.702   17.069 1.033123 24.47729 
1 1 1  -42    2    8 o  132.936   6.0877  1129.93  102.696  1121.50  147.805  1137.80  142.791  132.438   8.7882  133.434   8.4267 -0.9960480 12.17543 
1 1 1  -42    2    9 o   38.540   11.531   10.741   97.205   11.823  133.274   9.5113  142.085   38.045   16.067   39.036   16.543 -0.9908714 23.06140 
1 1 1  -42    2   10 o  130.438   6.4077  1085.94  105.984  1032.40  145.166  1147.04  155.094  127.012   9.0000  133.864   9.1233 -6.852058 12.81546 
1 1 1  -42    2   11 o  143.001   6.2466  1326.49  111.878  1486.28  152.883  1142.26  164.155  152.513   7.8936  133.490   9.6834 19.02275 12.49312 
1 1 1  -42    2   12 o   51.711   12.667  147.530  107.878   46.251  155.341  241.875  149.929   43.137   17.707   60.286   18.119 -17.14941 25.33442 
1 1 1  -42    2   13 o   53.979   12.929  180.312  105.671  166.595  149.606  193.968  149.276   52.650   18.290   55.308   18.279 -2.658493 25.85852 
1 1 1  -42    2   14 o   28.088   9.6690 -315.5654  114.532 -505.0987  171.161 -161.8912  154.121   24.597   12.358   31.580   14.874 -6.983194 19.33805 
1 1 1  -42    2   16 o   32.226   11.015 -297.8295  137.192 -365.0682  206.132 -244.3603  183.818   31.886   15.561   32.567   15.594 -0.6809902 22.03035 
1 1 1  -42    2   17 o   51.439   14.103   93.483  136.268  221.290  204.945  -7.7920  182.436   60.304   21.372   42.574   18.406 17.73092 28.20544 
1 1 1  -42    2   18 o   58.088   14.502  206.605  134.129  165.045  201.376  239.744  179.822   55.585   20.945   60.592   20.064 -5.007229 29.00454 
1 1 1  -42    2   19 o   82.774   13.439  481.313  138.615  416.756  201.135  539.709  191.298   77.001   20.286   88.546   17.632 -11.54436 26.87749 
1 1 1  -42    2   20 o   69.177   15.539  334.056  153.913  300.007  227.822  362.646  208.757   66.688   22.590   71.666   21.344 -4.978798 31.07862 
1 1 1  -42    2   21 o   48.631   13.840   41.330  146.898 -173.9759  218.490  218.942  198.445   38.588   18.025   58.674   21.005 -20.08623 27.67924 
1 1 1  -42    2   22 f   62.822   15.544  241.682  170.172  431.681  232.925   24.171  249.219   76.210   22.510   49.434   21.442 26.77608 31.08765 
1 1 1  -42    2   23 o   70.344   19.925  284.891  219.046  510.853  519.680  236.073  241.552   80.425   32.625   60.263   22.884 20.16122 39.85050 
1 1 1  -42    2   24 o  ?   ?  -1240.5811  228.958   0.0000   0.0000 -1240.5811  228.958  ?   ?   ?   ?       ?      ? 
1 1 1  -42    4    1 o   99.363   6.9634  634.223   86.932  643.107  115.333  622.537  132.283  100.242   9.0600   98.485   10.577 1.756912 13.92671 
1 1 1  -42    4    2 o  106.042   7.0993  704.496   93.436  520.900  123.225  952.843  143.316   90.079   10.772  122.005   9.2500 -31.92654 14.19856 
1 1 1  -42    4    3 o  227.156   4.1277  3291.40  118.764  3357.13  163.177  3217.35  173.184  229.600   5.5964  224.712   6.0688 4.888443 8.255319 
1 1 1  -42    4    4 o  217.702   4.3840  3018.23  121.127  2968.20  167.855  3072.59  174.964  215.830   6.1241  219.573   6.2747 -3.743454 8.767935 
1 1 1  -42    4    5 o  105.102   7.0177  710.109   93.324  742.285  128.572  674.280  135.675  107.675   9.4027  102.528   10.420 5.147125 14.03544 
1 1 1  -42    4    6 o  110.797   7.1559  787.970  100.565  754.224  143.471  820.563  141.001  108.430   10.419  113.164   9.8115 -4.733490 14.31177 
1 1 1  -42    4    7 o   36.776   10.605 -44.8916   90.694 -197.4825  124.529  127.465  132.349   25.825   12.484   47.726   17.147 -21.90117 21.21031 
1 1 1  -42    4    8 o   60.498   11.804  239.029   96.886  151.684  132.524  339.317  142.003   50.155   17.226   70.841   16.144 -20.68612 23.60896 
1 1 1  -42    4    9 o   57.064   12.609  212.828  101.462  220.569  141.520  204.641  145.541   57.828   17.654   56.301   18.009 1.527172 25.21884 
1 1 1  -42    4   10 o  112.776   8.2684  822.578  116.109  625.897  160.635  1037.76  168.019   98.432   12.851  127.120   10.408 -28.68757 16.53683 
1 1 1  -42    4   11 o   81.933   10.630  441.831  106.603  431.656  138.801  456.463  166.458   81.658   13.385   82.208   16.518 -0.5501022 21.26009 
1 1 1  -42    4   12 o   35.481   11.286 -66.4299  106.318 -39.3204  140.462 -102.7976  162.688   35.618   15.753   35.344   16.167 0.2742615 22.57228 
1 1 1  -42    4   13 o   28.700   9.9261 -322.9854  119.584 -391.1227  164.001 -245.6288  174.744   26.003   12.913   31.396   15.079 -5.393116 19.85216 
1 1 1  -42    4   14 o  411.227   6.6271 10796.22  346.082   0.0000   0.0000 10796.22  346.082  ?   ?   411.227   6.6271      ?      ? 
1 1 1  -42    4   15 o  ?   ?  -749.5743  127.127 -671.7426  177.689 -831.1896  181.956  ?   ?   ?   ?       ?      ? 
1 1 1  -42    4   16 o   49.645   13.658  102.972  125.751  166.225  180.511   43.331  175.281   54.400   19.954   44.890   18.654 9.509827 27.31583 
1 1 1  -42    4   17 o   71.879   13.681  350.762  132.669  219.356  182.949  496.505  192.671   58.919   20.240   84.839   18.412 -25.91948 27.36149 
1 1 1  -42    4   18 o   98.222   11.169  636.496  138.909  653.143  205.426  622.471  188.552   99.279   16.294   97.165   15.281 2.114059 22.33801 
1 1 1  -42    4   19 o   44.983   13.578   8.7195  140.713 -96.0646  214.554   87.807  186.399   41.463   18.810   48.502   19.587 -7.038776 27.15641 
1 1 1  -42    4   20 o   59.733   14.234  210.613  140.817  380.470  199.489   41.923  198.803   72.968   20.617   46.498   19.629 26.46945 28.46704 
1 1 1  -42    4   21 o   52.890   15.457   94.108  171.568   13.678  246.682  169.467  238.780   48.891   21.269   56.890   22.434 -7.999462 30.91416 
1 1 1  -42    4   22 o   70.569   16.990   89.585  190.714  868.817  389.881 -155.5125  218.659  102.431   28.781   38.706   18.065 63.72451 33.98017 
1 1 1  -42    4   23 o   90.196   15.270  606.769  208.166  150.520  288.012  1105.81  301.215   56.713   23.767  123.679   19.178 -66.96538 30.53970 
1 1 1  -42    4   24 o  276.411   11.043  5116.57  387.631   0.0000   0.0000  5116.57  387.631  ?   ?   276.411   11.043      ?      ? 
1 1 1  -42    6    1 o  129.905   5.8110  1086.61   94.435  1125.40  124.641  1034.34  144.693  132.735   7.3943  127.075   8.9663 5.660553 11.62193 
1 1 1  -42    6    2 o  305.959   5.1992  5961.25  202.010  5961.25  202.010   0.0000   0.0000  305.959   5.1992  ?   ?       ?      ? 
1 1 1  -42    6    3 o  138.431   5.7650  1233.54   99.316  1268.91  129.306  1182.66  155.093  140.972   7.2229  135.890   8.9873 5.081589 11.52999 
1 1 1  -42    6    4 o  114.828   6.8885  812.849   98.405  643.034  126.223  1076.01  157.132  100.108   9.9287  129.548   9.5511 -29.43957 13.77690 
1 1 1  -42    6    5 o  115.482   6.6749  854.027   97.468  845.969  131.584  863.824  145.083  114.927   9.0158  116.037   9.8456 -1.110283 13.34988 
1 1 1  -42    6    6 o   82.109   10.183  445.762  102.074  451.408  133.651  437.860  158.124   83.605   12.588   80.612   16.011 2.993217 20.36667 
1 1 1  -42    6    7 o  171.630   7.1369  1880.80  155.554  1880.80  155.554   0.0000   0.0000  171.630   7.1369  ?   ?       ?      ? 
1 1 1  -42    6    8 o   46.947   12.206   69.500  104.285 -46.9702  137.353  228.026  160.243   34.735   15.459   59.159   18.894 -24.42493 24.41237 
1 1 1  -42    6    9 o  180.817   6.9449  2087.32  159.471  2087.32  159.471   0.0000   0.0000  180.817   6.9449  ?   ?       ?      ? 
1 1 1  -42    6   10 o   21.946   7.8670 -530.7271  107.953 -528.1840  142.935 -534.1036  164.705   20.610   10.463   23.281   11.751 -2.670227 15.73406 
1 1 1  -42    6   12 o  347.927   6.0891  7722.45  269.039  7722.45  269.039   0.0000   0.0000  347.927   6.0891  ?   ?       ?      ? 
1 1 1  -42    6   13 o   30.273   10.321 -255.7448  119.518 -171.6461  154.892 -379.5003  187.896   31.246   14.776   29.300   14.413 1.946041 20.64117 
1 1 1  -42    6   14 o   41.340   12.661 -24.7895  125.711   51.410  172.398 -111.3118  183.704   45.125   18.604   37.554   17.178 7.571323 25.32182 
1 1 1  -42    6   15 o  128.818   8.3017  1077.36  135.103  1104.83  183.466  1044.83  199.692  130.760   11.049  126.876   12.394 3.884056 16.60349 
1 1 1  -42    6   16 o   50.126   12.880   54.980  130.658  297.409  181.911 -203.3647  187.787   65.921   19.991   34.330   16.245 31.59030 25.75927 
1 1 1  -42    6   17 o   54.206   14.595  152.344  140.108  112.416  199.632  191.104  196.687   51.423   20.438   56.988   20.841 -5.564213 29.19011 
1 1 1  -42    6   18 o   52.661   14.203   93.191  147.346  282.865  207.461 -99.8770  209.309   64.657   21.558   40.665   18.499 23.99180 28.40646 
1 1 1  -42    6   19 o   41.994   13.254 -60.6935  144.759   4.7899  210.297 -119.6636  199.564   45.452   19.706   38.536   17.729 6.915203 26.50720 
1 1 1  -42    6   20 o   51.780   15.622   55.460  183.723 -157.6043  327.528  153.280  221.925   48.879   22.568   54.680   21.607 -5.800541 31.24437 
1 1 1  -42    6   21 o   72.767   16.033  404.739  212.672 -230.3371  388.088  677.308  254.247   50.514   23.733   95.019   21.564 -44.50424 32.06646 
1 1 1  -42    6   22 o   63.167   16.741  253.053  199.029   21.076  290.915  457.171  272.888   50.967   22.599   75.367   24.705 -24.39970 33.48244 
1 1 1  -42    6   23 f  229.620   7.6940  3575.37  215.020  4822.87  309.819  2416.14  298.656  270.681   9.0131  188.560   12.472 82.12114 15.38807 
1 1 1  -42    6   24 o   38.027   18.421 -301.0489  274.696   0.0000   0.0000 -301.0489  274.696  ?   ?    38.027   18.421      ?      ? 
1 1 1  -42    8    1 o  257.818   5.6877  4238.03  186.220  4238.03  186.220   0.0000   0.0000  257.818   5.6877  ?   ?       ?      ? 
1 1 1  -42    8    8 o   37.167   11.827 -136.1553  126.365 -317.3609  182.595   30.396  175.056   30.239   14.733   44.095   18.507 -13.85554 23.65492 
1 1 1  -42    8    9 o  142.243   6.9959  1293.27  125.897  1212.86  169.299  1392.75  188.304  137.361   9.7054  147.125   10.078 -9.764206 13.99184 
1 1 1  -42    8   10 o   97.406   13.822  617.872  170.971  617.872  170.971   0.0000   0.0000   97.406   13.822  ?   ?       ?      ? 
1 1 1  -42    8   11 o   43.190   12.641   31.284  115.227 -29.3871  159.996   96.661  166.085   38.655   16.965   47.725   18.745 -9.069916 25.28211 
1 1 1  -42    8   12 o   49.185   13.405  105.780  120.823   41.914  169.498  171.756  172.275   44.125   18.340   54.244   19.555 -10.11966 26.80993 
1 1 1  -42    8   13 o  102.136   9.9242  682.346  128.292  756.501  183.822  611.927  179.133  107.670   13.444   96.603   14.602 11.06720 19.84830 
1 1 1  -42    8   14 o  102.065   10.327  684.792  133.823  702.402  189.984  667.451  188.533  103.400   14.468  100.731   14.738 2.668877 20.65310 
1 1 1  -42    8   15 o   76.708   13.414  424.390  133.515  282.834  199.008  540.260  180.049   64.619   21.093   88.796   16.577 -24.17728 26.82743 
1 1 1  -42    8   16 o   96.543   19.662  641.698  189.646  635.138  200.343  698.260  588.251   97.493   16.182   95.592   35.841 1.901299 39.32494 
1 1 1  -42    8   17 o   52.051   14.366  134.653  137.523  111.646  193.876  157.952  195.103   50.356   20.101   53.746   20.528 -3.389755 28.73126 
1 1 1  -42    8   18 o   52.139   15.749   63.226  179.910   31.963  299.281   80.916  225.128   53.732   23.401   50.545   21.084 3.186474 31.49825 
1 1 1  -42    8   19 o   63.557   17.325  201.093  188.764  448.806  338.596   89.388  227.376   76.424   27.430   50.690   21.170 25.73417 34.64915 
1 1 1  -42    8   20 o   44.287   13.975 -136.1737  180.490 -495.2935  274.258  138.188  239.718   34.962   17.240   53.612   22.001 -18.65035 27.95071 
1 1 1  -42    8   21 o  249.235   7.8274  3288.04  216.139  1802.25  251.985  7424.46  420.445  163.421   12.142  335.050   9.8815 -171.6290 15.65476 
1 1 1  -42    8   22 o   33.094   11.586 -431.2136  172.924 -408.9548  218.158 -468.8387  283.634   30.694   15.180   35.494   17.508 -4.800402 23.17240 
1 1 1  -42    8   23 o   41.641   13.793 -105.5548  178.984 -102.8615  229.576 -109.7291  285.808   39.638   18.503   43.645   20.461 -4.007084 27.58631 
1 1 1  -42   10    1 o   34.724   11.067 -71.3807  104.507 -19.1178  140.236 -136.6553  156.724   36.613   15.980   32.834   15.314 3.778904 22.13314 
1 1 1  -42   10    2 o   53.161   12.905  173.446  109.733  239.449  143.869   81.642  169.675   59.484   17.720   46.839   18.767 12.64570 25.81085 
1 1 1  -42   10    3 o   75.534   11.552  393.819  107.185  427.203  144.352  352.794  160.021   79.551   14.835   71.517   17.712 8.034721 23.10373 
1 1 1  -42   10    4 o   96.227   9.5795  579.451  108.167  365.564  138.112  918.778  173.960   73.334   15.324  119.119   11.500 -45.78553 19.15909 
1 1 1  -42   10    5 o   83.533   10.536  453.828  108.279  372.760  141.969  566.568  167.419   73.993   15.600   93.072   14.165 -19.07836 21.07132 
1 1 1  -42   10    6 o   57.005   13.265  209.831  114.846  274.309  154.179  129.462  172.134   63.325   18.203   50.686   19.301 12.63976 26.53056 
1 1 1  -42   10    7 o  117.995   8.1191  918.802  117.784  980.520  152.099  826.349  186.159  123.373   9.7080  112.617   13.017 10.75571 16.23819 
1 1 1  -42   10    8 o   53.873   12.041  126.074  110.161 -57.4430  146.542  364.548  167.049   35.219   15.799   72.526   18.174 -37.30721 24.08118 
1 1 1  -42   10    9 o   98.926   9.9297  672.867  116.503  793.263  155.491  518.767  175.914  110.664   11.064   87.189   16.492 23.47500 19.85941 
1 1 1  -42   10   10 o   49.704   13.714  113.599  125.313   93.001  178.120  133.787  176.334   48.254   19.266   51.154   19.521 -2.899475 27.42724 
1 1 1  -42   10   11 o   67.074   13.392  307.483  121.507  221.823  166.402  405.327  177.842   58.054   19.305   76.095   18.568 -18.04165 26.78475 
1 1 1  -42   10   12 o  104.757   8.8380  683.427  109.234  629.471  129.973  813.201  201.570   98.536   10.387  110.978   14.302 -12.44183 17.67608 
1 1 1  -42   10   13 o   41.670   12.399 -15.8265  108.961 -90.0948  132.990  135.835  190.044   31.389   14.453   51.951   20.151 -20.56195 24.79799 
1 1 1  -42   10   14 o  104.843   8.8673  648.281  111.089  510.386  132.485  974.807  203.869   88.230   11.824  121.457   13.218 -33.22708 17.73466 
1 1 1  -42   10   15 o   45.315   12.794   92.855  105.407  115.698  123.810   32.685  200.936   44.862   16.515   45.768   19.543 -0.9060173 25.58709 
1 1 1  -42   10   16 o   42.373   13.306 -34.9075  144.933   41.465  182.735 -164.4256  237.968   44.278   18.763   40.467   18.872 3.811874 26.61218 
1 1 1  -42   10   17 o   34.971   12.162 -559.5890  198.186 -1027.2310  314.298 -250.9139  255.350   30.821   15.633   39.121   18.635 -8.300070 24.32393 
1 1 1  -42   10   18 o   53.900   15.475  149.308  170.718  236.070  208.531 -27.0192  297.279   58.319   21.439   49.481   22.323 8.837555 30.95059 
1 1 1  -42   10   19 o  390.441   7.0550 10289.47  341.530 12376.92  474.240  8040.40  492.256  434.476   8.5952  346.406   11.190 88.06992 14.10999 
1 1 1  -42   10   20 o   32.511   11.557 -501.5079  166.597 -546.8817  197.713 -390.4154  309.368   25.996   13.090   39.027   19.050 -13.03148 23.11393 
1 1 1  -42   10   21 o   44.801   14.238   9.7367  170.306 -51.1832  251.960   60.982  231.089   43.186   19.888   46.417   20.379 -3.230408 28.47535 
1 1 1  -42   10   22 o   46.925   20.815   73.335  247.022   0.0000   0.0000   73.335  247.022  ?   ?    46.925   20.815      ?      ? 
1 1 1  -42   12    1 o   51.678   14.037  141.907  126.999  134.234  206.830  146.550  160.903   52.817   20.863   50.539   18.785 2.278893 28.07408 
1 1 1  -42   12    2 o  106.197   8.0754  722.670  107.330  656.613  138.292  822.731  170.204  100.364   10.850  112.031   11.963 -11.66766 16.15090 
1 1 1  -42   12    3 o   69.243   11.748  366.905  111.336  501.933  139.659  131.459  184.419   87.384   12.585   51.101   19.842 36.28245 23.49686 
1 1 1  -42   12    4 o  158.294   6.0610  1628.47  103.885  1639.53  119.397  1593.99  210.760  160.079   5.8733  156.508   10.604 3.571564 12.12197 
1 1 1  -42   12    5 o   95.539   10.559  690.499  100.417  760.617  116.240  484.263  199.354  108.595   8.4289   82.484   19.363 26.11037 21.11828 
1 1 1  -42   12    6 o   91.791   9.3552  584.746   95.226  619.054  114.718  508.720  170.771   97.802   9.2364   85.781   16.272 12.02177 18.71048 
1 1 1  -42   12    7 o   51.660   12.730  137.359   97.759   80.896  116.890  268.758  178.317   41.054   15.837   62.267   19.936 -21.21225 25.46091 
1 1 1  -42   12    8 o   79.640   11.245  431.184  101.466  426.733  120.009  442.342  190.014   80.661   11.716   78.618   19.198 2.042770 22.49065 
1 1 1  -42   12    9 o   39.282   11.933   9.6141   99.135  -3.1661  118.658   39.154  180.397   34.313   14.839   44.251   18.691 -9.937996 23.86506 
1 1 1  -42   12   10 o  131.792   6.9771  1102.06  105.748  1063.50  124.464  1202.13  200.517  128.425   7.6316  135.158   11.682 -6.733383 13.95422 
1 1 1  -42   12   11 o   42.459   12.556   53.971  107.536   84.226  125.990 -27.2135  206.383   41.961   16.371   42.956   19.042 -0.9955368 25.11140 
1 1 1  -42   12   12 o   78.985   12.034  370.695  109.617  256.059  128.193  682.505  211.421   60.018   16.368   97.953   17.645 -37.93541 24.06761 
1 1 1  -42   12   13 o   55.475   11.661 -141.8800  114.865 -387.5772  132.527  600.021  230.291   21.445   10.788   89.505   20.677 -68.06018 23.32207 
1 1 1  -42   12   14 o   58.029   15.407   19.310  175.751 -253.9049  216.931  541.191  299.816   34.949   16.789   81.110   25.838 -46.16115 30.81365 
1 1 1  -42   12   15 o   40.780   20.099 -1025.4840  210.328 -1234.8330  255.262 -582.8134  371.187  ?   ?    40.780   20.099      ?      ? 
1 1 1  -42   12   16 o  193.425   14.157  3587.40  225.911  5039.50  283.075  1040.30  374.908  277.657   8.0281  109.193   27.151 168.4635 28.31336 
1 1 1  -42   12   17 o   58.142   15.262  253.047  159.456  347.268  201.613   95.661  260.572   65.653   21.217   50.631   21.943 15.02206 30.52308 
1 1 1  -42   12   18 o   41.206   19.601 -182.5516  280.483   0.0000   0.0000 -182.5516  280.483  ?   ?    41.206   19.601      ?      ? 
1 1 1  -42   12   19 o   58.680   21.865  287.949  218.245   0.0000   0.0000  287.949  218.245  ?   ?    58.680   21.865      ?      ? 
1 1 1  -42   14    1 o   20.350   10.273 -394.5032  126.166 -394.5032  126.166   0.0000   0.0000   20.350   10.273  ?   ?       ?      ? 
1 1 1  -42   14    2 o   63.119   17.042  291.856  139.793  291.856  139.793   0.0000   0.0000   63.119   17.042  ?   ?       ?      ? 
1 1 1  -42   14    3 o   98.357   11.056  643.527  138.092  643.527  138.092   0.0000   0.0000   98.357   11.056  ?   ?       ?      ? 
1 1 1  -42   14    4 o   55.492   17.615  221.235  139.447  221.235  139.447   0.0000   0.0000   55.492   17.615  ?   ?       ?      ? 
1 1 1  -42   14    5 o   49.958   17.345  169.081  134.534  169.081  134.534   0.0000   0.0000   49.958   17.345  ?   ?       ?      ? 
1 1 1  -42   14    6 o   37.406   16.086   16.184  137.859   16.184  137.859   0.0000   0.0000   37.406   16.086  ?   ?       ?      ? 
1 1 1  -42   14    7 o  ?   ?  -619.7379  142.389 -619.7379  142.389   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -42   14    8 o  ?   ?  -721.4811  153.633 -721.4811  153.633   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -42   14   10 o  292.833   6.2106  5540.04  230.957  5540.04  230.957   0.0000   0.0000  292.833   6.2106  ?   ?       ?      ? 
1 1 1  -42   14   11 o   49.600   21.490   78.709  249.786   78.709  249.786   0.0000   0.0000   49.600   21.490  ?   ?       ?      ? 
1 1 1  -42   16    1 o  105.242   11.135  763.935  148.820  763.935  148.820   0.0000   0.0000  105.242   11.135  ?   ?       ?      ? 
1 1 1  -42   16    2 o   53.509   17.936  225.266  143.611  225.266  143.611   0.0000   0.0000   53.509   17.936  ?   ?       ?      ? 
1 1 1  -42   16    3 o   42.067   17.280   91.862  148.072   91.862  148.072   0.0000   0.0000   42.067   17.280  ?   ?       ?      ? 
1 1 1  -42   16    4 o   53.594   18.344  225.685  150.250  225.685  150.250   0.0000   0.0000   53.594   18.344  ?   ?       ?      ? 
1 1 1  -42   16    5 o   53.437   18.540  224.380  153.689  224.380  153.689   0.0000   0.0000   53.437   18.540  ?   ?       ?      ? 
1 1 1  -42   16    6 o   63.381   17.819  321.650  149.410  321.650  149.410   0.0000   0.0000   63.381   17.819  ?   ?       ?      ? 
1 1 1  -42   16    7 o   54.273   19.020  235.941  161.951  235.941  161.951   0.0000   0.0000   54.273   19.020  ?   ?       ?      ? 
1 1 1  -42   16    8 o   65.139   18.594  348.953  161.414  348.953  161.414   0.0000   0.0000   65.139   18.594  ?   ?       ?      ? 
1 1 1  -41    1    1 o   69.760   9.9048  324.498   84.697  329.925  119.725  319.061  119.834   70.379   13.889   69.142   14.125 1.236557 19.80953 
1 1 1  -41    1    2 o  102.441   6.6242  671.284   86.090  703.763  121.521  638.559  121.981  104.949   9.1180   99.934   9.6117 5.014679 13.24846 
1 1 1  -41    1    3 o  124.519   5.8710  989.727   92.805  1022.06  131.497  957.635  130.997  126.555   8.1820  122.483   8.4219 4.071907 11.74198 
1 1 1  -41    1    4 o  105.798   6.6700  715.065   89.583  701.309  124.704  729.734  128.774  104.751   9.3744  106.844   9.4907 -2.093071 13.33992 
1 1 1  -41    1    5 o  176.542   4.6139  1976.66  103.187  1863.95  140.046  2110.52  152.620  171.068   6.4465  182.017   6.6027 -10.94928 9.227850 
1 1 1  -41    1    6 f  182.065   4.6669  2106.29  107.725  1947.23  148.527  2282.83  156.475  174.823   6.6900  189.307   6.5088 -14.48389 9.333857 
1 1 1  -41    1    7 o   50.846   12.150  157.015   93.131  149.480  128.923  165.238  134.681   49.838   16.993   51.853   17.370 -2.014610 24.29969 
1 1 1  -41    1    8 o   52.467   11.110  154.460   91.080   17.216  125.751  305.901  132.095   37.495   15.708   67.439   15.715 -29.94464 22.21976 
1 1 1  -41    1    9 o   84.079   9.8379  464.682  101.002  576.188  145.897  362.059  139.965   94.691   12.133   73.467   15.490 21.22408 19.67588 
1 1 1  -41    1   10 o  201.216   4.7488  2578.96  121.298  2519.84  168.650  2642.30  174.586  198.833   6.6791  203.599   6.7524 -4.765594 9.497636 
1 1 1  -41    1   11 o  112.932   7.4655  816.277  106.890  844.617  156.646  791.584  146.222  114.742   10.750  111.121   10.362 3.620285 14.93108 
1 1 1  -41    1   12 o   60.184   11.998  223.515  104.668  386.439  153.957   83.494  142.726   75.647   16.491   44.720   17.430 30.92723 23.99548 
1 1 1  -41    1   13 o   87.284   9.9693  501.735  107.097  426.147  149.907  580.536  153.059   79.716   15.365   94.852   12.707 -15.13570 19.93864 
1 1 1  -41    1   14 o  198.898   5.1964  2526.33  131.244  2565.79  186.083  2487.27  185.135  200.449   7.3101  197.347   7.3872 3.102814 10.39273 
1 1 1  -41    1   15 o  134.853   7.3287  1191.90  122.843  1012.06  184.242  1335.84  164.828  125.312   11.578  144.393   8.9889 -19.08089 14.65745 
1 1 1  -41    1   16 o  111.645   9.9624  823.801  138.638  703.193  206.078  923.516  187.381  103.755   15.640  119.534   12.344 -15.77994 19.92474 
1 1 1  -41    1   18 o   33.040   11.099 -214.7126  126.403 -169.7005  182.870 -255.8947  174.917   35.055   16.412   31.024   14.947 4.030806 22.19884 
1 1 1  -41    1   19 o   57.493   14.701  195.001  137.614  170.193  210.024  213.663  182.167   56.583   21.374   58.403   20.189 -1.820591 29.40116 
1 1 1  -41    1   20 o   46.137   14.042 -13.8773  150.589   85.826  224.528 -95.3965  203.023   51.905   21.295   40.369   18.308 11.53613 28.08314 
1 1 1  -41    1   21 o   52.276   14.618  119.502  143.542  161.389  213.447   84.917  193.949   55.618   21.416   48.934   19.901 6.683914 29.23532 
1 1 1  -41    1   22 o   90.617   14.323  598.863  162.702  472.208  252.268  689.072  212.900   80.166   23.354  101.068   16.588 -20.90221 28.64568 
1 1 1  -41    1   23 o   63.225   15.626  256.931  167.680  416.254  229.286   73.758  245.849   74.862   22.386   51.588   21.806 23.27382 31.25110 
1 1 1  -41    1   24 o   60.299   23.298  232.187  253.270   0.0000   0.0000  232.187  253.270  ?   ?    60.299   23.298      ?      ? 
1 1 1  -41    3    1 o   72.546   9.9629  351.456   88.265  362.002  120.914  339.426  129.144   73.874   13.381   71.217   14.764 2.657768 19.92585 
1 1 1  -41    3    2 o  197.089   4.2767  2479.47  106.786  2621.76  149.159  2329.86  152.948  202.927   5.7880  191.250   6.2974 11.67676 8.553312 
1 1 1  -41    3    3 o  105.639   6.6366  712.365   88.657  626.101  122.687  806.641  128.258   98.926   9.7658  112.351   8.9893 -13.42526 13.27328 
1 1 1  -41    3    4 o  167.051   4.7654  1777.88  101.011  1768.31  139.843  1788.31  146.061  166.593   6.6101  167.510   6.8662 -0.9170380 9.530894 
1 1 1  -41    3    5 o  133.861   5.7016  1140.69   96.798  1076.55  133.068  1212.77  141.068  129.874   8.0681  137.847   8.0585 -7.972824 11.40326 
1 1 1  -41    3    6 o  140.744   5.4396  1260.28   96.668  1232.63  129.323  1295.30  145.524  139.030   7.3247  142.458   8.0440 -3.427841 10.87918 
1 1 1  -41    3    7 o  148.922   5.5188  1415.74  103.899  1420.82  140.559  1409.63  154.266  149.252   7.4159  148.592   8.1752 0.6604309 11.03759 
1 1 1  -41    3    8 o   99.645   7.8738  637.551   98.322  779.487  142.538  508.710  135.804  110.319   10.174   88.970   12.020 21.34936 15.74756 
1 1 1  -41    3    9 o  217.761   4.3903  3023.91  121.157  3069.50  166.781  2972.97  176.299  219.526   5.9825  215.995   6.4273 3.530838 8.780679 
1 1 1  -41    3   10 o   67.276   11.833  304.316  100.437  283.714  135.976  329.052  148.994   64.822   16.481   69.729   16.983 -4.906494 23.66584 
1 1 1  -41    3   11 o   41.382   12.126   26.069  106.286   77.876  147.653 -29.6449  153.117   44.770   17.646   37.994   16.637 6.776501 24.25223 
1 1 1  -41    3   12 o   53.210   13.149  167.815  109.684  149.265  157.293  185.372  153.028   51.666   18.676   54.754   18.514 -3.088013 26.29792 
1 1 1  -41    3   13 o  147.858   6.4425  1395.88  120.042  1649.47  175.171  1171.35  164.829  160.551   8.5916  135.165   9.6026 25.38545 12.88510 
1 1 1  -41    3   14 o   51.082   12.838  137.808  107.309  221.558  159.849   69.101  144.783   58.508   18.890   43.657   17.389 14.85061 25.67520 
1 1 1  -41    3   15 o   55.837   13.250  195.858  110.856  205.027  158.314  187.038  155.278   56.780   18.827   54.894   18.650 1.885899 26.50030 
1 1 1  -41    3   16 o  429.513   6.7675 11780.70  369.131   0.0000   0.0000 11780.70  369.131  ?   ?   429.513   6.7675      ?      ? 
1 1 1  -41    3   17 o   36.945   12.144 -164.2515  138.589 -242.9890  208.277 -101.6888  185.656   35.638   16.935   38.253   17.409 -2.614941 24.28704 
1 1 1  -41    3   18 o   43.014   13.347 -31.2329  139.857 -54.2631  207.219 -11.9656  189.536   42.915   19.049   43.114   18.700 -0.1989708 26.69348 
1 1 1  -41    3   19 o   40.550   12.618 -87.8787  136.941 -294.9647  208.039   70.452  181.908   33.899   16.324   47.201   19.244 -13.30267 25.23500 
1 1 1  -41    3   20 o   74.316   14.488  388.620  156.555  147.755  229.946  596.739  213.745   56.004   22.038   92.628   18.813 -36.62353 28.97553 
1 1 1  -41    3   21 o   48.448   14.460   46.878  151.973   56.144  225.244   39.136  205.902   49.799   20.952   47.097   19.935 2.702579 28.91988 
1 1 1  -41    3   22 o   36.316   12.087 -181.6054  142.343 -203.1702  216.921 -165.2978  188.637   37.271   17.582   35.361   16.592 1.909527 24.17490 
1 1 1  -41    3   23 o   47.664   15.799 -170.2366  210.754 -126.9491  406.675 -186.1313  246.428   54.813   25.251   40.514   18.995 14.29982 31.59809 
1 1 1  -41    3   24 o   37.738   12.976 -459.8427  209.003 -1033.0510  362.751 -175.0047  255.712   34.299   17.328   41.178   19.320 -6.878750 25.95208 
1 1 1  -41    3   25 o  265.350   7.9006  4759.72  263.497  4319.90  388.326  5135.02  358.715  252.677   12.102  278.024   10.160 -25.34698 15.80127 
1 1 1  -41    5    1 o  227.476   4.0455  3293.95  116.529  3274.96  158.679  3316.17  171.682  226.789   5.5096  228.162   5.9252 -1.372543 8.090973 
1 1 1  -41    5    2 o  128.288   5.7971  1061.53   93.511  1164.36  128.045  944.015  136.885  135.076   7.4646  121.500   8.8716 13.57611 11.59421 
1 1 1  -41    5    3 o  101.814   9.1335  648.381  109.996  722.198  199.623  616.197  131.811  105.607   14.885   98.021   10.589 7.586136 18.26694 
1 1 1  -41    5    4 o   56.421   11.435  205.908   88.326  140.046  120.672  281.912  129.631   48.190   16.440   64.652   15.899 -16.46191 22.87079 
1 1 1  -41    5    5 o   91.081   7.9415  535.011   91.419  583.621  127.782  484.042  130.845   95.398   10.548   86.765   11.875 8.633339 15.88299 
1 1 1  -41    5    6 o   56.905   9.9522  166.906   92.856 -49.3613  126.376  420.656  136.890   33.065   14.764   80.744   13.350 -47.67960 19.90437 
1 1 1  -41    5    7 o  203.263   4.7250  2640.82  121.133  2694.86  163.038  2574.23  180.978  205.643   6.2431  200.883   7.0942 4.760284 9.450069 
1 1 1  -41    5    8 o  104.696   7.8573  712.618  102.727  568.902  146.027  853.423  144.541   93.990   12.234  115.402   9.8628 -21.41174 15.71455 
1 1 1  -41    5    9 o   45.463   12.391   89.143  101.410  120.574  148.614   61.755  138.726   48.444   18.044   42.482   16.988 5.962051 24.78265 
1 1 1  -41    5   10 o   74.121   11.517  368.999  108.451  472.745  153.241  264.895  153.504   85.424   14.126   62.818   18.194 22.60630 23.03399 
1 1 1  -41    5   11 o   77.245   11.641  407.340  113.603  263.462  162.748  544.057  158.647   62.820   18.877   91.670   13.628 -28.85031 23.28206 
1 1 1  -41    5   12 o  152.061   6.4114  1482.50  122.956  1490.70  164.793  1472.21  184.672  152.617   8.5027  151.504   9.5984 1.113174 12.82285 
1 1 1  -41    5   13 o   36.464   11.712 -102.5570  118.080 -154.2796  158.578 -38.1915  176.901   32.521   15.244   40.407   17.784 -7.886139 23.42327 
1 1 1  -41    5   14 o  224.581   7.0828  3221.67  202.003  3221.67  202.003   0.0000   0.0000  224.581   7.0828  ?   ?       ?      ? 
1 1 1  -41    5   15 o  168.206   8.7113  1814.00  186.080  1814.00  186.080   0.0000   0.0000  168.206   8.7113  ?   ?       ?      ? 
1 1 1  -41    5   16 o   77.784   13.472  421.156  132.991  489.388  184.086  346.668  192.340   84.592   17.704   70.976   20.311 13.61560 26.94370 
1 1 1  -41    5   17 o   58.309   13.469  196.210  126.816   38.980  178.754  355.539  179.942   44.927   18.768   71.691   19.326 -26.76337 26.93896 
1 1 1  -41    5   18 o   62.895   14.914  257.276  140.133  285.631  207.329  233.429  190.139   65.441   21.538   60.349   20.636 5.091713 29.82870 
1 1 1  -41    5   19 o  118.128   9.8720  917.601  147.983  885.793  210.453  948.709  208.125  116.008   14.285  120.248   13.629 -4.239929 19.74401 
1 1 1  -41    5   20 o   76.974   14.925  427.174  150.301  387.922  227.694  457.485  200.088   73.703   22.369   80.245   19.765 -6.541794 29.84970 
1 1 1  -41    5   21 f   62.223   15.260  257.864  150.508  177.457  218.385  330.607  207.717   56.381   21.675   68.065   21.488 -11.68433 30.52083 
1 1 1  -41    5   22 o   44.308   14.955 -237.1987  210.011 -558.7176  437.355 -140.8474  239.419   47.173   22.942   41.443   19.191 5.729755 29.91091 
1 1 1  -41    5   23 o   56.847   17.112  128.155  211.305  131.185  346.362  126.359  266.681   59.100   25.456   54.595   22.874 4.505501 34.22331 
1 1 1  -41    5   24 o  114.758   11.429  888.236  179.720 -57.9441  230.389  2358.96  287.237   42.610   19.393  186.907   12.101 -144.2979 22.85863 
1 1 1  -41    5   25 o   46.462   14.981 -31.6783  189.093 -80.9807  239.780   49.418  307.523   41.770   19.294   51.154   22.921 -9.383957 29.96109 
1 1 1  -41    7    1 o  234.474   4.1694  3512.47  122.477  3557.61  161.138  3450.72  188.474  236.337   5.3689  232.611   6.3803 3.726318 8.338722 
1 1 1  -41    7    2 o  126.935   6.2639  1018.51   99.849  949.442  130.157  1117.29  155.655  121.823   8.4132  132.046   9.2824 -10.22330 12.52772 
1 1 1  -41    7    3 o  121.350   6.3644  945.516   97.738  979.947  134.335  906.790  142.468  123.754   8.5478  118.946   9.4317 4.807961 12.72879 
1 1 1  -41    7    4 o   86.244   8.6877  468.658   93.520  423.318  119.627  539.922  149.977   81.076   11.619   91.413   12.919 -10.33657 17.37536 
1 1 1  -41    7    5 f  185.279   4.9157  2181.56  114.773  2119.43  152.183  2263.50  174.781  182.283   6.5742  188.275   7.3101 -5.992386 9.831433 
1 1 1  -41    7    6 o   43.791   11.969   78.284   98.669  139.489  124.062 -27.0723  162.770   48.258   16.662   39.325   17.188 8.933071 23.93885 
1 1 1  -41    7    7 o  179.261   5.2133  2047.35  117.572  2016.41  155.451  2088.72  179.722  177.749   6.8867  180.773   7.8287 -3.024445 10.42665 
1 1 1  -41    7    8 o   88.762   10.024  518.768  108.125  520.347  140.118  516.443  170.001   89.784   12.289   87.740   15.840 2.043663 20.04823 
1 1 1  -41    7    9 o   97.114   8.9931  601.110  108.731  452.898  145.387  789.224  163.792   83.580   13.698  110.647   11.657 -27.06722 17.98621 
1 1 1  -41    7   10 o   23.015   11.627 -575.6995  101.535 -598.7952  129.674 -539.1022  163.235  ?   ?    23.015   11.627      ?      ? 
1 1 1  -41    7   11 o  103.331   11.906  689.301  156.227  689.301  156.227   0.0000   0.0000  103.331   11.906  ?   ?       ?      ? 
1 1 1  -41    7   13 o   47.509   13.498   79.590  123.779   73.967  165.435   86.740  186.563   46.038   18.501   48.979   19.660 -2.940594 26.99647 
1 1 1  -41    7   14 o   42.640   12.925   3.0479  125.138 -10.8207  173.554   18.066  180.602   41.391   17.923   43.890   18.629 -2.499771 25.85089 
1 1 1  -41    7   15 o   75.378   12.912  391.146  124.898  272.462  173.894  517.611  179.504   63.546   19.598   87.210   16.817 -23.66422 25.82456 
1 1 1  -41    7   16 o   65.389   14.337  287.483  134.901  199.878  192.363  372.259  189.233   57.674   20.677   73.104   19.865 -15.42990 28.67374 
1 1 1  -41    7   17 o   96.764   21.265  595.214  204.605  570.425  215.554  820.802  650.251   90.389   19.362  103.139   37.867 -12.74969 42.52967 
1 1 1  -41    7   18 o   43.843   13.310 -48.1382  144.514  124.533  200.496 -234.8480  208.487   52.107   20.554   35.579   16.917 16.52765 26.62095 
1 1 1  -41    7   19 o   84.825   12.427  482.832  117.726  466.443  136.968  529.182  230.337   84.172   12.814   85.479   21.297 -1.306969 24.85475 
1 1 1  -41    7   20 o   60.769   17.374  157.008  188.036  312.000  361.293   99.429  220.211   70.317   27.638   51.222   21.061 19.09587 34.74819 
1 1 1  -41    7   21 o   53.314   16.399   2.8204  184.483  242.062  360.128 -82.2982  214.808   65.535   26.938   41.092   18.711 24.44292 32.79885 
1 1 1  -41    7   22 o   39.077   12.987 -190.1041  167.600 -81.0076  228.948 -316.0729  246.016   41.987   19.195   36.168   17.499 5.818851 25.97470 
1 1 1  -41    7   23 o  252.958   7.4915  4384.06  229.809  4756.28  293.772  3797.05  368.913  269.260   8.5913  236.655   12.275 32.60426 14.98307 
1 1 1  -41    7   24 o   43.258   14.271 -108.1048  193.159 -39.2060  251.561 -207.0788  301.508   44.069   20.137   42.447   20.228 1.622440 28.54250 
1 1 1  -41    7   25 o   45.748   14.265   53.122  164.066  128.070  228.399 -26.7816  235.829   49.046   20.887   42.451   19.435 6.594124 28.53019 
1 1 1  -41    9    1 o   96.364   15.966  608.922  195.381   0.0000   0.0000  608.922  195.381  ?   ?    96.364   15.966      ?      ? 
1 1 1  -41    9    8 o  110.949   11.537  795.152  162.545  795.152  162.545   0.0000   0.0000  110.949   11.537  ?   ?       ?      ? 
1 1 1  -41    9    9 o   44.822   12.648 -18.1311  119.178 -166.7253  153.472  207.592  189.155   31.235   14.751   58.408   20.550 -27.17326 25.29675 
1 1 1  -41    9   10 o  175.780   8.2842  1980.19  184.925  1980.19  184.925   0.0000   0.0000  175.780   8.2842  ?   ?       ?      ? 
1 1 1  -41    9   11 o   45.259   12.909   67.885  113.886   51.137  153.193   88.578  170.277   43.020   17.613   47.498   18.877 -4.477489 25.81767 
1 1 1  -41    9   12 o   69.845   13.569  337.600  125.922  264.461  180.179  407.429  176.055   62.907   20.029   76.783   18.312 -13.87618 27.13874 
1 1 1  -41    9   13 o   55.306   12.143   89.796  127.796  425.528  183.825 -224.2490  177.788   78.271   18.742   32.342   15.446 45.92889 24.28637 
1 1 1  -41    9   14 o  105.974   10.863  746.496  144.911  791.446  196.655  693.089  214.359  109.808   14.102  102.139   16.526 7.669456 21.72538 
1 1 1  -41    9   15 f   72.072   13.340  321.607  113.048  263.789  131.785  482.675  219.958   61.807   16.486   82.337   20.977 -20.52940 26.68009 
1 1 1  -41    9   16 f   88.338   11.722  415.118  126.796  152.876  150.603  1053.54  234.983   50.636   18.279  126.041   14.681 -75.40521 23.44461 
1 1 1  -41    9   17 o   57.053   13.611  154.451  110.583   73.492  128.930  379.751  215.080   41.600   16.460   72.506   21.681 -30.90686 27.22099 
1 1 1  -41    9   18 o   77.319   15.641  472.793  175.783  201.080  295.935  620.924  218.507   61.598   24.748   93.039   19.132 -31.44078 31.28146 
1 1 1  -41    9   19 o   54.262   14.454  146.901  162.782 -339.2105  318.116  319.337  189.466   42.536   20.407   65.987   20.474 -23.45119 28.90719 
1 1 1  -41    9   20 o   46.681   14.465   5.5152  166.235 -80.5743  232.195   96.039  238.099   42.355   19.351   51.007   21.505 -8.652897 28.92934 
1 1 1  -41    9   21 o  316.609   6.4331  6123.71  244.900  5232.80  294.401  8125.27  441.270  282.952   8.1931  350.266   9.9204 -67.31415 12.86627 
1 1 1  -41    9   22 f   37.850   12.752 -198.0364  167.678 -201.3315  223.294 -193.7758  253.909   36.364   17.351   39.336   18.693 -2.971493 25.50486 
1 1 1  -41    9   23 o   49.364   15.401   72.392  179.795  181.540  305.649   14.640  222.329   55.170   23.838   43.558   19.506 11.61161 30.80110 
1 1 1  -41    9   24 o   44.749   14.138   13.425  178.745 -347.4181  323.019  172.681  214.594   39.222   19.213   50.276   20.745 -11.05449 28.27543 
1 1 1  -41   11    1 o   80.885   10.714  444.701  105.034  471.689  136.421  405.415  164.595   85.101   12.623   76.669   17.314 8.432213 21.42744 
1 1 1  -41   11    2 f  114.816   7.7640  839.854  111.812  774.201  145.096  935.841  175.443  109.481   10.436  120.151   11.498 -10.66987 15.52800 
1 1 1  -41   11    3 o   57.277   13.069  214.869  113.593  292.162  150.460  112.419  173.223   65.149   17.718   49.406   19.218 15.74296 26.13872 
1 1 1  -41   11    4 o   60.778   12.069  231.870  106.346   87.178  144.234  404.231  157.421   44.764   17.502   76.791   16.625 -32.02686 24.13877 
1 1 1  -41   11    5 o   99.323   9.3184  655.256  115.223  749.771  156.893  544.591  169.768  107.559   11.486   91.087   14.677 16.47262 18.63690 
1 1 1  -41   11    6 o  188.221   5.6167  2257.24  133.241  2158.98  176.333  2388.01  203.417  183.564   7.5643  192.878   8.3048 -9.313202 11.23333 
1 1 1  -41   11    7 o   69.792   12.540  322.405  112.141  232.118  146.198  451.453  174.785   58.663   17.949   80.920   17.517 -22.25771 25.08009 
1 1 1  -41   11    8 o   43.934   12.417   73.675   95.020   71.437  110.687   79.946  185.266   39.814   15.396   48.053   19.484 -8.238773 24.83331 
1 1 1  -41   11    9 o  117.423   7.6851  825.949  103.084  748.370  119.433  1052.56  204.124  107.853   8.7200  126.993   12.657 -19.14051 15.37015 
1 1 1  -41   11   10 o   45.599   12.597   94.757  106.217  147.267  125.043 -41.3159  201.291   48.645   16.732   42.554   18.837 6.090969 25.19492 
1 1 1  -41   11   11 o  100.070   9.6940  654.774  112.443  648.708  133.963  669.237  206.859  100.007   10.548  100.133   16.267 -0.1269302 19.38797 
1 1 1  -41   11   12 o  120.753   9.2036  1054.42  117.423  1159.72  137.576  771.906  225.351  134.244   8.0699  107.262   16.544 26.98238 18.40711 
1 1 1  -41   11   13 o   84.165   11.548  455.379  110.571  401.966  130.874  588.596  206.684   76.854   13.922   91.477   18.429 -14.62249 23.09637 
1 1 1  -41   11   14 o   38.362   12.139 -69.0177  107.442 -113.0677  125.357   52.910  208.557   29.024   13.589   47.699   20.119 -18.67584 24.27824 
1 1 1  -41   11   15 o   49.668   13.402   40.818  109.491 -45.1855  125.177  320.911  225.901   32.436   14.573   66.900   22.495 -34.46410 26.80315 
1 1 1  -41   11   16 o   61.567   16.508  219.363  182.830  380.822  273.861   89.541  245.568   71.247   24.747   51.886   21.855 19.36160 33.01604 
1 1 1  -41   11   17 o   40.903   13.288 -115.0980  157.616 -194.1232  211.463 -16.3138  236.426   36.284   17.190   45.521   20.269 -9.236141 26.57654 
1 1 1  -41   11   18 o   32.606   11.651 -429.3924  156.251 -355.3635  171.408 -793.3019  380.039   26.996   13.370   38.216   19.086 -11.21989 23.30282 
1 1 1  -41   11   19 o   68.745   12.205  322.018  187.213  748.868  216.135 -960.4268  374.634  102.125   16.665   35.365   17.835 66.75977 24.40931 
1 1 1  -41   11   20 f   45.780   14.135 -52.7070  172.669 -328.5711  242.047  233.149  246.392   34.554   16.863   57.007   22.691 -22.45326 28.27087 
1 1 1  -41   11   21 o   60.382   16.583  267.733  179.483  476.272  297.412  148.283  225.092   70.577   25.655   50.187   21.021 20.39047 33.16697 
1 1 1  -41   11   22 o  150.744   12.204  2384.63  192.895  178.010  290.673  4121.11  257.855   52.700   23.004  248.787   8.1615 -196.0874 24.40879 
1 1 1  -41   13    1 o  144.493   6.4904  1325.39  116.437  1225.42  147.591  1490.16  189.484  137.668   8.4421  151.318   9.8606 -13.65044 12.98072 
1 1 1  -41   13    2 o   52.399   13.036  158.909  106.171  106.922  134.083  246.298  173.841   44.927   17.052   59.870   19.723 -14.94371 26.07221 
1 1 1  -41   13    3 o   58.373   12.460  224.388   91.769  210.012  107.045  264.249  178.250   55.074   14.931   61.672   19.952 -6.598389 24.91992 
1 1 1  -41   13    4 o  119.336   7.3810  950.378  101.288  983.775  121.388  873.826  183.781  123.570   7.7355  115.102   12.573 8.467697 14.76209 
1 1 1  -41   13    5 o   55.045   12.724  181.032   94.098  144.665  110.430  277.434  179.793   47.166   15.728   62.923   20.005 -15.75736 25.44741 
1 1 1  -41   13    6 o   54.163   11.381   18.404   96.964 -132.8620  111.544  486.248  196.166   25.950   12.349   82.377   19.120 -56.42686 22.76126 
1 1 1  -41   13    7 o   62.970   12.337  302.676  101.667  352.122  118.726  166.732  196.859   71.766   13.523   54.174   20.638 17.59200 24.67362 
1 1 1  -41   13    8 o   61.992   13.036  249.546   98.798  224.965  113.682  325.416  199.721   56.770   15.385   67.214   21.048 -10.44393 26.07147 
1 1 1  -41   13    9 o   81.143   11.560  437.286  106.469  410.690  125.202  506.754  202.346   78.708   12.526   83.579   19.432 -4.870834 23.11973 
1 1 1  -41   13   10 o   93.975   11.807  795.852  111.397  967.356  129.650  312.118  217.739  122.164   8.3570   65.785   22.086 56.37820 23.61375 
1 1 1  -41   13   11 o   43.207   12.708   24.229  104.628 -25.5456  122.236  160.634  202.354   33.066   14.656   53.348   20.765 -20.28167 25.41638 
1 1 1  -41   13   12 o  110.520   9.5645  740.858  114.825  670.006  129.595  999.621  247.665  100.947   10.109  120.093   16.239 -19.14600 19.12891 
1 1 1  -41   13   13 o   86.103   13.068  384.806  147.296  119.127  172.448  1101.55  283.245   47.881   19.007  124.324   17.940 -76.44321 26.13647 
1 1 1  -41   13   14 o   35.981   12.520 -423.8410  190.863 -373.1146  236.508 -518.5691  323.198   33.657   16.477   38.305   18.855 -4.648796 25.03972 
1 1 1  -41   13   15 o  239.980   8.9694  4443.49  233.154  5596.29  293.958  2488.23  382.833  292.741   7.9072  187.219   16.102 105.5219 17.93882 
1 1 1  -41   13   16 o   37.694   12.809 -193.5632  156.025 -193.1500  182.963 -194.6650  298.729   32.502   15.562   42.886   20.350 -10.38387 25.61832 
1 1 1  -41   13   17 o   53.091   15.453  146.312  168.159   37.393  217.089  309.702  265.888   44.556   19.651   61.625   23.854 -17.06890 30.90580 
1 1 1  -41   13   18 o   46.978   20.474   85.227  229.457   0.0000   0.0000   85.227  229.457  ?   ?    46.978   20.474      ?      ? 
1 1 1  -41   13   19 o   35.439   17.111 -218.7848  232.166   0.0000   0.0000 -218.7848  232.166  ?   ?    35.439   17.111      ?      ? 
1 1 1  -41   15    1 o  198.320   6.3927  2543.84  161.002  2543.84  161.002   0.0000   0.0000  198.320   6.3927  ?   ?       ?      ? 
1 1 1  -41   15    2 o  249.037   6.0276  4001.80  190.628  4001.80  190.628   0.0000   0.0000  249.037   6.0276  ?   ?       ?      ? 
1 1 1  -41   15    3 o  298.682   5.7600  5747.41  218.478  5747.41  218.478   0.0000   0.0000  298.682   5.7600  ?   ?       ?      ? 
1 1 1  -41   15    4 o  227.982   6.2168  3356.32  179.988  3356.32  179.988   0.0000   0.0000  227.982   6.2168  ?   ?       ?      ? 
1 1 1  -41   15    5 o  248.770   6.3356  3999.16  200.153  3999.16  200.153   0.0000   0.0000  248.770   6.3356  ?   ?       ?      ? 
1 1 1  -41   15    6 o  241.061   6.2651  3754.45  191.792  3754.45  191.792   0.0000   0.0000  241.061   6.2651  ?   ?       ?      ? 
1 1 1  -41   15    7 o  251.437   6.1783  4084.27  197.276  4084.27  197.276   0.0000   0.0000  251.437   6.1783  ?   ?       ?      ? 
1 1 1  -41   15    8 o   50.700   18.407  176.419  153.024  176.419  153.024   0.0000   0.0000   50.700   18.407  ?   ?       ?      ? 
1 1 1  -41   15    9 o   25.995   12.740 -245.5099  142.559 -245.5099  142.559   0.0000   0.0000   25.995   12.740  ?   ?       ?      ? 
1 1 1  -41   15   10 o   26.348   12.949 -267.5031  150.495 -267.5031  150.495   0.0000   0.0000   26.348   12.949  ?   ?       ?      ? 
1 1 1  -41   17    1 o   93.532   12.740  627.695  151.330  627.695  151.330   0.0000   0.0000   93.532   12.740  ?   ?       ?      ? 
1 1 1  -41   17    2 o   79.031   16.073  486.206  155.821  486.206  155.821   0.0000   0.0000   79.031   16.073  ?   ?       ?      ? 
1 1 1  -41   17    3 o   43.157   17.038  121.952  137.881  121.952  137.881   0.0000   0.0000   43.157   17.038  ?   ?       ?      ? 
1 1 1  -41   17    4 o   56.894   18.335  268.407  150.639  268.407  150.639   0.0000   0.0000   56.894   18.335  ?   ?       ?      ? 
1 1 1  -41   17    5 o   45.097   18.022  136.231  156.020  136.231  156.020   0.0000   0.0000   45.097   18.022  ?   ?       ?      ? 
1 1 1  -41   17    6 o   31.867   15.130 -123.6179  165.571 -123.6179  165.571   0.0000   0.0000   31.867   15.130  ?   ?       ?      ? 
1 1 1  -41   17    7 o   26.993   13.232 -234.1259  154.061 -234.1259  154.061   0.0000   0.0000   26.993   13.232  ?   ?       ?      ? 
1 1 1  -41   17    8 o   48.774   21.690  130.213  269.859  130.213  269.859   0.0000   0.0000   48.774   21.690  ?   ?       ?      ? 
1 1 1  -40    0    1 o   92.293   7.2291  562.329  116.068  562.329  116.068  562.329  116.068   92.293   10.224   92.293   10.224 -0.000000 0.000000 
1 1 1  -40    0    2 o  159.662   4.5957  1628.98  131.283  1628.98  131.283  1628.98  131.283  159.662   6.4993  159.662   6.4993 -0.000000 0.000000 
1 1 1  -40    0    3 o   29.849   12.694   57.537  123.059   57.537  123.059   57.537  123.059   29.849   17.953   29.849   17.953 -0.000000 0.000000 
1 1 1  -40    0    4 o  264.106   3.8321  4438.94  181.594  4438.94  181.594  4438.94  181.594  264.106   5.4195  264.106   5.4195 -0.000000 0.000000 
1 1 1  -40    0    5 o   48.736   14.458  215.033  127.134  215.033  127.134  215.033  127.134   48.736   20.447   48.736   20.447 -0.000000 0.000000 
1 1 1  -40    0    6 o  142.238   5.3401  1297.93  135.534  1297.93  135.534  1297.93  135.534  142.238   7.5520  142.238   7.5520 -0.000000 0.000000 
1 1 1  -40    0    7 o   78.274   9.4023  423.129  120.720  423.129  120.720  423.129  120.720   78.274   13.297   78.274   13.297 -0.000000 0.000000 
1 1 1  -40    0    8 o   29.926   12.973   48.027  133.867   48.027  133.867   48.027  133.867   29.926   18.346   29.926   18.346 -0.000000 0.000000 
1 1 1  -40    0    9 f   35.661   14.113  110.960  135.575  110.960  135.575  110.960  135.575   35.661   19.958   35.661   19.958 -0.000000 0.000000 
1 1 1  -40    0   10 o  193.167   4.9943  2383.24  172.735  2383.24  172.735  2383.24  172.735  193.167   7.0630  193.167   7.0630 -0.000000 0.000000 
1 1 1  -40    0   11 o   48.326   14.674  213.881  130.458  213.881  130.458  213.881  130.458   48.326   20.753   48.326   20.753 -0.000000 0.000000 
1 1 1  -40    0   12 o   61.504   14.114  308.494  137.881  308.494  137.881  308.494  137.881   61.504   19.960   61.504   19.960 -0.000000 0.000000 
1 1 1  -40    0   13 o  175.543   5.3469  1972.53  167.859  1972.53  167.859  1972.53  167.859  175.543   7.5617  175.543   7.5617 -0.000000 0.000000 
1 1 1  -40    0   14 o   98.155   9.4866  649.950  158.373  649.950  158.373  649.950  158.373   98.155   13.416   98.155   13.416 -0.000000 0.000000 
1 1 1  -40    0   16 o  125.405   7.3036  1024.44  161.924  1024.44  161.924  1024.44  161.924  125.405   10.329  125.405   10.329 -0.000000 0.000000 
1 1 1  -40    0   17 o   15.289   7.9476 -422.7919  149.957 -422.7919  149.957 -422.7919  149.957   15.289   11.240   15.289   11.240 -0.000000 0.000000 
1 1 1  -40    0   19 o   30.593   13.998   0.2820  181.027   0.2820  181.027   0.2820  181.027   30.593   19.796   30.593   19.796 -0.000000 0.000000 
1 1 1  -40    0   20 o   39.785   16.391  130.364  193.675  130.364  193.675  130.364  193.675   39.785   23.180   39.785   23.180 -0.000000 0.000000 
1 1 1  -40    0   21 o   52.493   19.263  272.962  235.245  272.962  235.245  272.962  235.245   52.493   27.242   52.493   27.242 -0.000000 0.000000 
1 1 1  -40    0   22 o   85.534   16.790  578.872  223.102  578.872  223.102  578.872  223.102   85.534   23.745   85.534   23.745 -0.000000 0.000000 
1 1 1  -40    0   23 o   92.877   17.695  684.348  255.089  684.348  255.089  684.348  255.089   92.877   25.025   92.877   25.025 -0.000000 0.000000 
1 1 1  -40    0   24 o   73.173   21.050  516.399  271.545  516.399  271.545  516.399  271.545   73.173   29.770   73.173   29.770 -0.000000 0.000000 
1 1 1  -40    0   25 o   17.010   8.9048 -740.0982  220.647 -740.0982  220.647 -740.0982  220.647   17.010   12.593   17.010   12.593 -0.000000 0.000000 
1 1 1  -40    2    1 o   98.462   6.6202  619.434   82.773  628.033  117.061  610.835  117.055   99.150   9.2970   97.775   9.4273 1.375381 13.24041 
1 1 1  -40    2    2 o  188.790   4.3362  2260.66  103.767  2427.86  152.250  2115.63  141.804  195.284   6.1392  182.296   6.1254 12.98785 8.672375 
1 1 1  -40    2    3 o   44.759   11.505  106.497   84.611   95.123  117.328  118.821  122.132   43.332   16.054   46.186   16.485 -2.853722 23.01028 
1 1 1  -40    2    4 o   87.960   7.9497  498.605   87.463  607.061  125.191  395.195  122.244   97.435   10.118   78.486   12.265 18.94921 15.89947 
1 1 1  -40    2    5 o  106.754   6.4593  725.755   87.444  684.374  120.011  772.590  127.674  103.520   9.1289  109.989   9.1407 -6.468910 12.91855 
1 1 1  -40    2    6 o   68.275   10.717  311.994   90.505  295.246  126.542  329.534  129.497   66.353   15.326   70.197   14.983 -3.843697 21.43323 
1 1 1  -40    2    7 o  127.235   5.9045  1040.05   94.743  1125.65  130.394  944.325  137.894  132.863   7.7281  121.606   8.9292 11.25700 11.80905 
1 1 1  -40    2    8 o  292.925   3.9556  5456.96  146.957  5390.13  202.201  5531.79  213.952  291.039   5.4708  294.810   5.7148 -3.770416 7.911294 
1 1 1  -40    2    9 o  288.749   4.0527  5310.81  148.418  5387.58  205.638  5227.34  214.427  290.949   5.5656  286.549   5.8925 4.399567 8.105390 
1 1 1  -40    2   10 o   98.930   7.9787  636.179   98.846  716.468  135.389  544.528  144.650  105.804   10.076   92.055   12.374 13.74961 15.95736 
1 1 1  -40    2   11 o   75.284   10.319  374.222   96.299  453.509  138.082  299.143  134.368   83.935   12.954   66.634   16.066 17.30151 20.63837 
1 1 1  -40    2   12 o   70.547   11.698  335.795  103.059  362.412  147.219  310.216  144.318   73.334   16.237   67.759   16.844 5.575111 23.39568 
1 1 1  -40    2   13 o  126.781   6.9288  1029.87  111.495  1035.14  155.387  1024.27  160.071  127.135   9.6244  126.426   9.9701 0.7082596 13.85755 
1 1 1  -40    2   14 o   84.255   10.764  469.900  112.412  503.902  157.260  434.373  160.746   88.224   14.036   80.286   16.322 7.937088 21.52746 
1 1 1  -40    2   15 o  126.396   7.4766  1031.33  119.280  908.987  169.676  1150.86  167.715  118.853   11.242  133.939   9.8602 -15.08624 14.95322 
1 1 1  -40    2   16 o  125.346   7.7060  989.575  121.306  1168.48  189.274  864.863  158.027  134.732   11.062  115.960   10.731 18.77230 15.41198 
1 1 1  -40    2   18 o   29.048   10.169 -480.1096  140.616 -691.1352  201.994 -281.6884  195.869   25.162   12.737   32.934   15.855 -7.772171 20.33717 
1 1 1  -40    2   19 o   40.113   12.747 -82.9568  137.268 -176.9017  211.745 -14.8562  180.281   38.298   17.841   41.927   18.211 -3.628952 25.49452 
1 1 1  -40    2   20 o   76.371   13.926  415.380  139.826  282.365  208.215  524.638  188.708   65.273   21.589   87.469   17.598 -22.19592 27.85280 
1 1 1  -40    2   21 o   62.849   15.284  256.921  149.146  199.608  223.322  303.065  200.385   59.162   22.103   66.535   21.116 -7.373310 30.56826 
1 1 1  -40    2   22 f   79.416   14.980  448.448  155.257  545.175  226.193  362.281  213.489   87.356   20.706   71.475   21.652 15.88098 29.95907 
1 1 1  -40    2   23 o   43.305   13.684 -74.2035  158.160 -192.9662  227.447   36.990  220.080   38.749   18.194   47.860   20.445 -9.110939 27.36806 
1 1 1  -40    2   24 f   45.781   14.270 -11.3940  161.996 -47.7807  225.250   27.590  233.149   43.670   19.589   47.891   20.756 -4.221157 28.54022 
1 1 1  -40    2   25 f   48.263   15.681 -92.8182  209.914  -3.9747  349.928 -142.7610  262.363   53.785   24.246   42.741   19.894 11.04456 31.36280 
1 1 1  -40    2   26 o  134.515   16.128  1287.23  275.508   0.0000   0.0000  1287.23  275.508  ?   ?   134.515   16.128      ?      ? 
1 1 1  -40    4    1 o  159.650   4.7830  1630.31   96.252  1680.94  129.676  1568.19  143.632  162.459   6.2855  156.841   7.2113 5.618271 9.566080 
1 1 1  -40    4    2 o   34.162   10.429 -18.3988   84.837   34.634  109.022 -99.8077  135.076   36.629   14.911   31.694   14.583 4.934435 20.85712 
1 1 1  -40    4    3 o  205.287   4.2882  2679.92  111.701  2603.18  154.227  2764.59  161.998  202.205   6.0061  208.368   6.1221 -6.163483 8.576303 
1 1 1  -40    4    4 o  150.236   5.1385  1438.99   97.948  1442.98  135.774  1434.65  141.439  150.466   7.1056  150.005   7.4248 0.4611359 10.27706 
1 1 1  -40    4    5 o   55.415   10.836  171.183   90.635   22.354  120.917  362.026  136.925   37.253   15.488   73.577   15.159 -36.32392 21.67175 
1 1 1  -40    4    6 o  166.725   4.9382  1769.42  104.464  1722.89  144.141  1820.91  151.612  164.426   6.9030  169.024   7.0633 -4.598206 9.876324 
1 1 1  -40    4    7 o   61.973   11.371  254.653   92.972  167.932  128.988  348.420  134.126   51.807   16.985   72.140   15.124 -20.33256 22.74287 
1 1 1  -40    4    8 o   33.176   10.241 -70.5499   87.750 -180.2593  120.944   51.396  127.511   25.924   12.475   40.429   16.244 -14.50435 20.48167 
1 1 1  -40    4    9 o   65.485   11.384  294.186   97.629  175.536  141.840  401.004  134.583   53.295   17.826   77.676   14.165 -24.38037 22.76875 
1 1 1  -40    4   10 o  121.542   7.0776  947.810  108.703  833.215  152.583  1065.92  154.903  114.012   10.538  129.072   9.4504 -15.06062 14.15519 
1 1 1  -40    4   11 o  118.606   7.6298  912.355  113.034  1098.32  159.700  725.669  160.008  130.977   9.6013  106.234   11.860 24.74366 15.25961 
1 1 1  -40    4   12 o   52.113   13.128  153.476  109.886  123.850  152.049  185.866  158.987   49.046   18.255   55.180   18.870 -6.134361 26.25506 
1 1 1  -40    4   13 o   62.069   12.632  239.723  116.695  413.980  167.125   73.931  163.015   78.122   17.302   46.015   18.410 32.10772 25.26425 
1 1 1  -40    4   14 o  116.596   8.2827  885.862  120.991  735.841  173.567  1027.67  168.749  106.718   12.807  126.474   10.507 -19.75596 16.56533 
1 1 1  -40    4   15 o   92.608   9.2800  555.879  108.777  565.492  148.733  544.824  159.498   93.549   12.520   91.667   13.701 1.882507 18.55990 
1 1 1  -40    4   16 o   88.373   17.158  529.026  185.617  529.026  185.617   0.0000   0.0000   88.373   17.158  ?   ?       ?      ? 
1 1 1  -40    4   17 o  111.760   14.514  814.621  205.994  814.621  205.994   0.0000   0.0000  111.760   14.514  ?   ?       ?      ? 
1 1 1  -40    4   18 o   58.134   14.503  195.494  136.006  120.664  187.350  278.866  197.755   51.402   19.988   64.866   21.018 -13.46400 29.00509 
1 1 1  -40    4   19 o   54.266   13.981  104.754  138.837  321.610  209.133 -66.1351  185.649   68.720   21.542   39.812   17.827 28.90755 27.96114 
1 1 1  -40    4   20 f   74.870   15.490  387.442  160.439  274.682  222.037  510.639  232.085   64.876   22.297   84.865   21.508 -19.98903 30.97939 
1 1 1  -40    4   21 o   47.989   13.590 -47.7552  149.606  261.897  218.196 -322.4764  205.521   63.328   22.084   32.651   15.844 30.67723 27.17963 
1 1 1  -40    4   22 o   56.711   14.909  185.294  151.013   32.577  244.643  279.307  191.947   49.924   21.447   63.499   20.715 -13.57592 29.81781 
1 1 1  -40    4   23 o   47.233   14.586  -0.7167  167.950   73.871  226.999 -90.9306  249.648   50.077   21.049   44.389   20.196 5.688648 29.17102 
1 1 1  -40    4   24 o   48.141   15.784 -86.0124  198.037 -140.5240  410.589 -69.4865  226.071   53.822   24.997   42.460   19.280 11.36222 31.56829 
1 1 1  -40    4   25 o  152.657   15.864 -177.6342  205.337 -1638.7080  275.814  1639.03  307.551  ?   ?   152.657   15.864      ?      ? 
1 1 1  -40    4   26 o   34.837   11.993 -362.7548  177.245 -156.1387  220.324 -741.7496  298.398   37.474   17.691   32.200   16.197 5.274059 23.98564 
1 1 1  -40    6    1 o  206.967   4.3032  2730.16  112.473  2741.24  151.465  2716.53  167.926  207.472   5.7488  206.462   6.4047 1.010254 8.606329 
1 1 1  -40    6    2 o   53.628   11.618  184.080   88.831  125.676  124.909  243.846  126.356   47.006   16.682   60.250   16.175 -13.24385 23.23613 
1 1 1  -40    6    3 o  278.173   4.0174  4944.32  140.274  5046.96  185.902  4808.61  213.756  281.600   5.1985  274.745   6.1265 6.854889 8.034781 
1 1 1  -40    6    4 o  156.089   6.1027  1538.32  117.007  1629.46  194.038  1486.24  146.674  159.563   9.5759  152.615   7.5680 6.948013 12.20538 
1 1 1  -40    6    5 o  239.341   4.1832  3652.28  125.780  3675.52  166.435  3621.33  192.065  240.284   5.4543  238.398   6.3441 1.886337 8.366426 
1 1 1  -40    6    6 o  202.416   4.6593  2613.94  119.657  2699.30  167.606  2525.21  170.882  205.810   6.4128  199.023   6.7611 6.787582 9.318567 
1 1 1  -40    6    7 o   96.540   8.0038  606.207   96.841  674.982  132.227  526.636  142.227  102.630   10.145   90.451   12.382 12.17928 16.00764 
1 1 1  -40    6    8 o   68.081   11.831  314.801  105.939  445.951  149.580  182.803  150.063   81.756   14.958   54.406   18.334 27.34990 23.66228 
1 1 1  -40    6    9 o  217.100   4.8026  2996.80  131.767  2918.04  176.833  3095.13  197.582  213.941   6.5086  220.258   7.0638 -6.317154 9.605171 
1 1 1  -40    6   10 o   85.993   10.458  485.053  111.137  562.495  162.405  416.846  152.413   93.253   13.714   78.733   15.793 14.52045 20.91622 
1 1 1  -40    6   11 o  168.721   5.5115  1821.27  117.899  1871.52  163.628  1767.02  170.026  171.180   7.5271  166.262   8.0528 4.917877 11.02291 
1 1 1  -40    6   12 o  122.163   7.2974  946.623  112.436  857.874  148.785  1064.79  171.679  115.595   10.135  128.731   10.502 -13.13589 14.59487 
1 1 1  -40    6   13 o  146.873   6.4013  1384.00  118.866  1400.69  161.266  1364.14  175.889  147.912   8.5854  145.835   9.4973 2.077042 12.80266 
1 1 1  -40    6   14 o   30.638   14.626 -205.2314  159.107 -205.2314  159.107   0.0000   0.0000   30.638   14.626  ?   ?       ?      ? 
1 1 1  -40    6   15 o  386.776   6.2615  9545.80  307.551  9545.80  307.551   0.0000   0.0000  386.776   6.2615  ?   ?       ?      ? 
1 1 1  -40    6   16 o   30.100   14.728 -348.9903  188.232 -348.9903  188.232   0.0000   0.0000   30.100   14.728  ?   ?       ?      ? 
1 1 1  -40    6   17 o   46.847   13.509  -0.3475  141.582 -199.8398  202.850  189.148  197.703   36.391   17.117   57.302   20.904 -20.91165 27.01752 
1 1 1  -40    6   18 o   42.026   13.299 -75.3860  147.567 -10.4471  197.898 -156.7145  221.467   44.003   19.097   40.049   18.515 3.953434 26.59840 
1 1 1  -40    6   19 o   69.355   14.809  325.885  148.868  185.210  210.120  467.667  210.946   57.332   21.436   81.378   20.440 -24.04622 29.61861 
1 1 1  -40    6   20 o   97.395   12.725  657.660  151.575  650.675  212.658  664.874  216.101   96.878   17.946   97.911   18.045 -1.033386 25.44958 
1 1 1  -40    6   21 o   37.527   12.596 -236.8048  161.518 -246.9863  238.689 -228.2043  219.375   38.274   18.170   36.780   17.449 1.493279 25.19166 
1 1 1  -40    6   22 f   66.558   16.720  315.547  198.714 -128.6010  400.775  460.331  228.822   54.663   25.140   78.452   22.051 -23.78884 33.43998 
1 1 1  -40    6   23 o   50.943   15.384   69.908  179.586 -347.1544  384.999  185.890  203.027   47.050   22.540   54.835   20.942 -7.785236 30.76704 
1 1 1  -40    6   24 o  166.160   14.176  133.040  177.626 -831.1299  220.759  1903.36  299.135  ?   ?   166.160   14.176      ?      ? 
1 1 1  -40    6   25 o   40.659   13.157 -320.7978  165.808 -677.1982  215.923  191.376  258.845   25.872   13.104   55.446   22.820 -29.57396 26.31487 
1 1 1  -40    6   26 o   44.323   13.664 -116.1363  169.685 -488.3033  237.726  270.426  242.280   30.535   15.225   58.110   22.693 -27.57488 27.32733 
1 1 1  -40    6   27 o   40.478   18.577 -22.5799  217.265   0.0000   0.0000 -22.5799  217.265  ?   ?    40.478   18.577      ?      ? 
1 1 1  -40    8    1 o   42.018   11.452   76.983   84.308   68.925  106.943   90.215  137.034   39.411   15.164   44.625   17.166 -5.214108 22.90438 
1 1 1  -40    8    2 o  184.265   4.6880  2150.43  108.162  2077.17  140.562  2256.78  169.361  180.508   6.1319  188.023   7.0929 -7.515610 9.376027 
1 1 1  -40    8    3 o  171.884   5.2313  1891.17  112.090  1910.34  145.676  1863.33  175.494  173.052   6.6288  170.716   8.0949 2.336090 10.46269 
1 1 1  -40    8    4 o  125.674   8.0743  1009.76  128.863  1009.76  128.863   0.0000   0.0000  125.674   8.0743  ?   ?       ?      ? 
1 1 1  -40    8    5 o   67.499   11.329  318.777   96.329  381.677  126.857  233.113  148.043   75.680   13.704   59.319   18.044 16.36036 22.65830 
1 1 1  -40    8    6 o  129.693   6.5114  1069.82  104.447  1043.94  132.648  1112.04  169.435  127.767   8.1753  131.619   10.137 -3.851196 13.02283 
1 1 1  -40    8    7 o   85.398   10.289  477.486  104.890  467.607  131.422  494.823  174.092   85.138   12.155   85.658   16.604 -0.5201492 20.57746 
1 1 1  -40    8    8 o   42.569   11.937   33.553  100.793 -54.2106  133.505  149.887  153.706   33.766   15.118   51.373   18.476 -17.60647 23.87353 
1 1 1  -40    8    9 o  111.569   7.7637  792.624  109.406  715.076  145.976  892.015  165.260  105.419   10.904  117.719   11.055 -12.30067 15.52748 
1 1 1  -40    8   10 o  216.985   6.2606  3003.09  172.514  3003.09  172.514   0.0000   0.0000  216.985   6.2606  ?   ?       ?      ? 
1 1 1  -40    8   11 o  206.642   7.2038  2728.02  189.040  2728.02  189.040   0.0000   0.0000  206.642   7.2038  ?   ?       ?      ? 
1 1 1  -40    8   13 o  120.032   11.357  930.257  173.117  930.257  173.117   0.0000   0.0000  120.032   11.357  ?   ?       ?      ? 
1 1 1  -40    8   14 o   46.287   13.181  -8.4659  130.141 -165.7456  171.263  206.453  200.200   33.694   15.810   58.881   21.096 -25.18630 26.36261 
1 1 1  -40    8   15 o   44.186   12.336 -32.0671  128.623  209.369  169.702 -358.0038  197.175   57.444   19.497   30.928   15.121 26.51619 24.67287 
1 1 1  -40    8   16 o   53.870   14.039  139.860  135.995  267.108  188.439   1.5448  196.463   63.263   20.519   44.477   19.165 18.78554 28.07709 
1 1 1  -40    8   17 o   65.679   13.250  305.950  113.762  334.718  138.401  246.027  199.748   69.767   15.966   61.591   21.149 8.176014 26.49938 
1 1 1  -40    8   18 o   44.307   13.057   21.411  114.669 -27.6976  137.822  131.873  206.701   35.564   15.673   53.051   20.888 -17.48705 26.11403 
1 1 1  -40    8   19 o   58.744   14.987  191.672  152.201   50.766  211.684  342.474  218.991   48.069   20.272   69.419   22.079 -21.35017 29.97387 
1 1 1  -40    8   20 o   55.350   15.107  122.523  177.795 -299.8394  313.525  322.733  215.860   43.612   20.739   67.088   21.972 -23.47645 30.21376 
1 1 1  -40    8   21 o   50.397   15.677   34.745  182.087 -135.7530  363.567   91.831  210.373   51.399   23.748   49.396   20.474 2.002728 31.35499 
1 1 1  -40    8   22 f   38.265   12.935 -252.8846  175.912 -288.9355  237.714 -209.2428  261.546   36.021   17.373   40.509   19.170 -4.488117 25.87058 
1 1 1  -40    8   23 o  213.390   10.093  3529.82  229.645  5094.20  309.355  1609.60  342.738  278.408   8.7498  148.372   18.190 130.0365 20.18505 
1 1 1  -40    8   24 o   36.251   12.440 -308.3982  180.627 -415.4313  265.095 -215.6449  246.778   34.667   17.066   37.835   18.104 -3.168236 24.87999 
1 1 1  -40    8   25 o   49.074   15.226  102.581  182.560   67.669  268.968  132.403  248.591   48.111   21.506   50.036   21.559 -1.924347 30.45139 
1 1 1  -40    8   26 o   45.900   14.192   47.629  164.493 -125.4612  223.300  253.003  243.235   37.056   17.587   54.744   22.278 -17.68731 28.38327 
1 1 1  -40   10    1 o  101.559   8.9490  666.230  112.757  657.688  144.423  679.566  180.452  100.943   11.266  102.175   13.907 -1.231262 17.89804 
1 1 1  -40   10    2 o  100.472   9.8251  668.619  119.254  698.618  149.522  616.177  197.692  104.036   11.317   96.908   16.064 7.127708 19.65014 
1 1 1  -40   10    5 o  196.976   8.3632  2485.78  209.202   0.0000   0.0000  2485.78  209.202  ?   ?   196.976   8.3632      ?      ? 
1 1 1  -40   10    6 o   28.704   9.9394 -306.1690  117.695 -300.9126  151.468 -314.1788  186.977   26.525   13.027   30.884   15.016 -4.358442 19.87878 
1 1 1  -40   10    7 o   33.533   15.218 -75.6200  140.581 -75.6200  140.581   0.0000   0.0000   33.533   15.218  ?   ?       ?      ? 
1 1 1  -40   10    8 o   25.401   8.9300 -362.5860  105.583 -429.1877  138.226 -269.2951  163.594   21.697   10.928   29.105   14.127 -7.408279 17.86008 
1 1 1  -40   10    9 o  134.256   7.8263  1160.60  132.672  1339.95  192.745  999.117  182.895  144.193   10.526  124.318   11.585 19.87524 15.65256 
1 1 1  -40   10   10 o   40.948   12.505  -6.6904  118.514  -8.0653  161.316  -5.0780  174.691   40.066   17.315   41.831   18.048 -1.764771 25.01039 
1 1 1  -40   10   11 o   55.931   12.626  211.557   95.919  236.338  109.764  131.491  197.300   58.964   14.708   52.897   20.528 6.067242 25.25299 
1 1 1  -40   10   12 o   44.841   12.434   86.815  103.649  139.184  121.756 -51.0336  197.539   47.780   16.506   41.902   18.599 5.878471 24.86700 
1 1 1  -40   10   13 o   51.356   13.588  131.804  111.384  108.724  133.014  185.971  203.775   45.558   17.051   57.153   21.160 -11.59497 27.17528 
1 1 1  -40   10   14 o  131.005   7.5735  1158.05  112.918  1225.80  135.295  1002.53  204.985  138.214   7.7082  123.795   13.039 14.41905 15.14695 
1 1 1  -40   10   15 o  131.807   9.2190  655.431  113.459   46.703  126.079  3247.47  260.167   39.275   16.018  224.338   9.1321 -185.0621 18.43793 
1 1 1  -40   10   16 o  117.433   9.1034  890.655  121.170  870.667  141.778  944.812  233.374  115.935   9.6298  118.932   15.452 -2.997139 18.20686 
1 1 1  -40   10   17 o   43.845   13.196   5.7188  107.072 -30.0240  120.413  140.738  234.034   32.788   14.539   54.902   22.026 -22.11431 26.39153 
1 1 1  -40   10   18 o  136.201   10.275  1227.84  175.776  1399.12  274.461  1108.73  228.874  143.844   15.025  128.557   14.019 15.28636 20.54953 
1 1 1  -40   10   19 f   57.201   15.568  194.941  167.968   21.413  277.719  295.028  210.917   50.678   22.294   63.723   21.735 -13.04461 31.13544 
1 1 1  -40   10   20 o   35.719   12.322 -338.6482  173.815 -271.6727  212.934 -472.3899  300.899   33.912   16.377   37.525   18.415 -3.612583 24.64385 
1 1 1  -40   10   21 o  154.102   12.486  2689.02  229.007  4391.87  289.791 -142.9482  373.715  258.414   8.8306   49.791   23.359 208.6235 24.97289 
1 1 1  -40   10   22 o   45.338   14.391   3.3366  173.978 -172.2224  301.812   90.704  212.912   43.394   20.552   47.282   20.152 -3.888138 28.78292 
1 1 1  -40   10   23 o   83.933   16.734  662.250  191.482  522.887  315.724  743.338  240.830   72.700   26.432   95.166   20.530 -22.46545 33.46869 
1 1 1  -40   10   24 o   48.295   15.015   80.752  168.891  266.802  291.572 -13.1924  207.188   56.462   23.801   40.129   18.312 16.33344 30.03018 
1 1 1  -40   12    1 o   89.565   10.136  522.166  111.035  414.332  146.161  669.327  170.746   77.995   15.303  101.134   13.295 -23.13925 20.27151 
1 1 1  -40   12    2 o   94.033   9.3089  572.552  110.607  523.485  147.735  635.138  166.848   89.526   12.994   98.540   13.333 -9.014015 18.61781 
1 1 1  -40   12    3 o   52.818   12.367  158.275   88.663  125.346  103.916  246.394  169.995   44.958   15.257   60.678   19.469 -15.72014 24.73493 
1 1 1  -40   12    4 o  167.112   5.5336  1794.61  103.541  1798.35  120.838  1784.28  200.833  167.842   5.6692  166.382   9.5050 1.460388 11.06727 
1 1 1  -40   12    5 o  105.290   8.9067  762.474  101.682  806.046  118.722  642.523  196.984  112.016   8.3459   98.565   15.737 13.45146 17.81343 
1 1 1  -40   12    6 o  123.191   7.5825  965.648  104.553  947.127  121.427  1018.74  205.593  121.493   7.8702  124.890   12.963 -3.397377 15.16503 
1 1 1  -40   12    7 o  155.017   5.9379  1494.94  107.273  1424.31  127.051  1670.31  200.202  149.186   6.7061  160.847   9.8012 -11.66022 11.87582 
1 1 1  -40   12    8 o  166.046   5.7686  1771.84  113.683  1772.05  138.178  1771.43  199.995  166.414   6.5384  165.679   9.5055 0.7354584 11.53710 
1 1 1  -40   12    9 o   98.012   8.7942  598.643  101.086  555.567  119.823  704.982  188.264   92.639   10.185  103.386   14.339 -10.74780 17.58844 
1 1 1  -40   12   10 o   75.378   10.310  521.065  100.864  741.932  120.880   14.805  183.011  107.268   8.8737   43.487   18.612 63.78086 20.61942 
1 1 1  -40   12   11 o   39.396   12.157 -10.1060  107.945 -17.0256  131.212   4.3838  189.874   35.278   15.426   43.513   18.795 -8.235474 24.31445 
1 1 1  -40   12   12 o   48.885   12.953  133.302  103.411  141.923  123.742  113.339  188.298   47.726   16.631   50.044   19.863 -2.318417 25.90608 
1 1 1  -40   12   13 o   75.286   12.719  413.547  111.768  438.602  129.814  341.754  219.741   81.534   12.537   69.039   22.134 12.49445 25.43779 
1 1 1  -40   12   14 o   90.003   11.546  520.862  113.046  480.099  129.864  648.377  229.686   85.281   11.991   94.725   19.734 -9.443993 23.09171 
1 1 1  -40   12   15 o   81.910   13.881  482.189  140.307  434.863  180.432  554.582  223.159   77.350   18.597   86.470   20.613 -9.119675 27.76297 
1 1 1  -40   12   16 o   44.154   13.727 -20.1298  151.152 -111.8894  207.183   84.283  221.008   38.866   17.947   49.442   20.775 -10.57551 27.45318 
1 1 1  -40   12   17 o   28.972   14.344 -598.9153  166.842 -399.8963  196.716 -1108.9980  314.929   28.972   14.344  ?   ?       ?      ? 
1 1 1  -40   12   18 f  303.992   8.0006  6673.11  282.360  8588.74  374.666  4154.80  429.579  362.431   8.1403  245.553   13.776 116.8773 16.00124 
1 1 1  -40   12   19 o   34.640   11.862 -270.3995  158.214 -289.9332  209.618 -244.5397  241.185   32.515   15.829   36.764   17.672 -4.248913 23.72498 
1 1 1  -40   12   20 o   54.735   15.417  210.377  167.936   76.870  267.106  297.649  215.958   49.167   21.735   60.303   21.870 -11.13584 30.83388 
1 1 1  -40   12   21 o   58.380   15.461  290.570  170.868   61.004  297.202  403.913  208.831   48.904   22.167   67.857   21.558 -18.95261 30.92189 
1 1 1  -40   12   22 o   60.995   16.230  358.036  176.643  256.648  289.896  417.911  222.776   55.343   23.549   66.647   22.340 -11.30377 32.45939 
1 1 1  -40   14    1 o  149.434   8.0541  1444.75  152.842  1444.75  152.842   0.0000   0.0000  149.434   8.0541  ?   ?       ?      ? 
1 1 1  -40   14    2 o  106.938   10.127  747.319  137.533  747.319  137.533   0.0000   0.0000  106.938   10.127  ?   ?       ?      ? 
1 1 1  -40   14    3 o  110.541   8.5307  796.155  115.564  765.130  144.406  851.415  192.725  108.108   10.518  112.974   13.433 -4.865433 17.06135 
1 1 1  -40   14    4 o   76.299   12.513  399.118  117.681  318.867  150.940  523.516  187.925   66.822   17.558   85.775   17.834 -18.95318 25.02675 
1 1 1  -40   14    5 o   83.642   10.885  487.085   99.164  494.084  115.856  467.909  191.768   86.874   10.501   80.410   19.069 6.464119 21.76915 
1 1 1  -40   14    6 o   82.291   10.867  460.182  102.142  450.719  122.156  482.174  186.223   82.664   11.636   81.917   18.356 0.7473373 21.73361 
1 1 1  -40   14    7 o   51.655   12.506  175.991   94.169  182.599  112.160  160.205  173.353   51.428   15.719   51.882   19.456 -0.4547234 25.01262 
1 1 1  -40   14    8 o   40.350   12.218   10.259  102.359 -19.1785  121.639   81.678  189.464   33.436   14.730   47.265   19.496 -13.82921 24.43518 
1 1 1  -40   14    9 o   42.289   12.319   53.373   98.121   31.761  116.301  106.750  182.775   36.315   15.152   48.263   19.429 -11.94733 24.63817 
1 1 1  -40   14   10 o   31.520   10.864 -207.5405  106.616 -220.9779  120.888 -160.4998  226.184   23.971   11.745   39.069   18.279 -15.09777 21.72727 
1 1 1  -40   14   11 o   97.999   11.895  530.943  126.599  395.625  142.195  1048.31  278.038   74.569   15.521  121.429   18.030 -46.86060 23.79041 
1 1 1  -40   14   12 o  105.702   14.039  987.879  149.448  1126.01  171.390  549.656  305.278  130.418   10.348   80.987   26.101 49.43115 28.07781 
1 1 1  -40   14   13 o  234.478   7.5267  3562.86  215.345  3321.88  266.075  4020.44  366.644  224.559   9.3303  244.398   11.813 -19.83835 15.05348 
1 1 1  -40   14   14 o   60.740   12.777  243.473  160.261  543.470  190.309 -487.9500  297.157   85.039   18.174   36.440   17.964 48.59936 25.55355 
1 1 1  -40   14   15 o   34.708   12.015 -330.7564  160.580 -398.3218  198.626 -203.2725  272.835   28.826   14.296   40.590   19.315 -11.76412 24.03043 
1 1 1  -40   14   16 o   47.852   13.981   60.068  158.358  270.634  211.141 -210.6779  239.420   58.523   21.564   37.181   17.802 21.34218 27.96267 
1 1 1  -40   14   17 o   56.784   15.063  236.613  157.986  399.380  224.180   76.018  222.679   67.427   22.406   46.141   20.138 21.28638 30.12574 
1 1 1  -40   14   18 o   45.766   14.127   75.668  156.434  161.658  228.270  -0.4756  214.804   50.077   21.081   41.454   18.812 8.622673 28.25457 
1 1 1  -40   14   19 o   47.536   20.698  127.118  234.007   0.0000   0.0000  127.118  234.007  ?   ?    47.536   20.698      ?      ? 
1 1 1  -40   16    1 o   29.603   13.636 -64.7472  118.573 -64.7472  118.573   0.0000   0.0000   29.603   13.636  ?   ?       ?      ? 
1 1 1  -40   16    2 o   38.167   16.000   47.009  130.603   47.009  130.603   0.0000   0.0000   38.167   16.000  ?   ?       ?      ? 
1 1 1  -40   16    3 o   71.106   16.613  377.823  147.304  377.823  147.304   0.0000   0.0000   71.106   16.613  ?   ?       ?      ? 
1 1 1  -40   16    4 o   20.797   10.548 -484.8387  142.936 -484.8387  142.936   0.0000   0.0000   20.797   10.548  ?   ?       ?      ? 
1 1 1  -40   16    5 o   22.207   11.162 -388.5246  140.346 -388.5246  140.346   0.0000   0.0000   22.207   11.162  ?   ?       ?      ? 
1 1 1  -40   16    6 o   38.300   16.565   23.519  147.889   23.519  147.889   0.0000   0.0000   38.300   16.565  ?   ?       ?      ? 
1 1 1  -40   16    7 f   34.569   15.786 -55.4563  154.294 -55.4563  154.294   0.0000   0.0000   34.569   15.786  ?   ?       ?      ? 
1 1 1  -40   16    8 o   28.841   13.895 -185.4651  151.155 -185.4651  151.155   0.0000   0.0000   28.841   13.895  ?   ?       ?      ? 
1 1 1  -40   16    9 o   27.029   13.143 -208.4254  143.384 -208.4254  143.384   0.0000   0.0000   27.029   13.143  ?   ?       ?      ? 
1 1 1  -40   16   10 o   42.318   20.039 -151.3168  286.721 -151.3168  286.721   0.0000   0.0000   42.318   20.039  ?   ?       ?      ? 
1 1 1  -39    1    1 o  115.430   6.0968  851.674   88.996  757.525  125.223  947.761  126.505  108.944   9.0511  121.916   8.1709 -12.97221 12.19366 
1 1 1  -39    1    2 o  106.678   6.2358  724.731   84.254  653.751  116.623  802.227  121.857  101.210   9.0737  112.147   8.5563 -10.93718 12.47165 
1 1 1  -39    1    3 o  168.935   4.6334  1817.14   99.387  1782.31  140.647  1851.88  140.463  167.313   6.6195  170.557   6.4851 -3.243576 9.266805 
1 1 1  -39    1    4 o   42.245   10.708   53.018   84.120 -69.6307  115.578  191.168  122.664   30.272   13.761   54.219   16.410 -23.94704 21.41620 
1 1 1  -39    1    5 o  239.542   3.9136  3650.75  118.960  3839.72  169.133  3465.74  167.351  245.686   5.4209  233.397   5.6462 12.28922 7.827216 
1 1 1  -39    1    6 o  102.192   6.9542  667.559   90.122  676.143  124.667  658.161  130.433  102.899   9.5403  101.485   10.121 1.413597 13.90845 
1 1 1  -39    1    7 o   58.737   11.176  226.806   86.550  168.639  119.078  291.947  126.016   51.451   16.272   66.023   15.325 -14.57186 22.35260 
1 1 1  -39    1    8 o  124.378   6.0987  995.081   95.177  820.445  134.764  1168.88  134.439  113.348   9.3623  135.408   7.8181 -22.06094 12.19737 
1 1 1  -39    1    9 o  172.791   4.8947  1907.50  107.061  1755.10  152.789  2054.51  150.062  165.963   7.2494  179.618   6.5787 -13.65488 9.789479 
1 1 1  -39    1   10 o  182.963   4.6208  2129.54  107.239  1988.56  149.199  2280.22  154.244  176.696   6.6491  189.230   6.4186 -12.53441 9.241688 
1 1 1  -39    1   11 o   54.953   12.163  190.791   97.247  256.341  136.535  123.299  138.544   61.895   16.897   48.010   17.501 13.88575 24.32670 
1 1 1  -39    1   12 o   64.118   11.536  282.704  100.142  140.319  147.929  403.156  136.059   50.333   18.123   77.903   14.279 -27.56992 23.07283 
1 1 1  -39    1   13 o   72.718   12.254  357.527  111.553  365.371  155.865  349.289  159.726   73.570   17.021   71.866   17.634 1.703545 24.50840 
1 1 1  -39    1   14 o  267.996   4.4898  4573.53  152.749  4692.87  219.635  4461.74  212.576  271.376   6.3731  264.616   6.3259 6.760071 8.979641 
1 1 1  -39    1   15 o   69.845   12.963  323.694  118.308  431.896  175.789  234.106  159.955   79.787   17.801   59.903   18.849 19.88430 25.92658 
1 1 1  -39    1   16 o  137.495   7.1932  1212.49  125.551  1260.75  179.804  1166.56  175.390  140.174   10.101  134.816   10.244 5.357712 14.38649 
1 1 1  -39    1   17 o   98.292   9.1192  622.034  113.528  688.085  166.300  564.383  155.365  103.186   12.691   93.398   13.099 9.787674 18.23849 
1 1 1  -39    1   18 o   54.340   11.359  103.284  119.449 -254.0312  176.200  407.145  162.486   31.320   15.068   77.360   17.003 -46.04032 22.71877 
1 1 1  -39    1   20 o   56.335   14.374  184.108  131.857  209.325  189.939  160.650  183.192   58.536   20.593   54.133   20.059 4.403111 28.74815 
1 1 1  -39    1   21 o  114.116   10.981  855.427  158.939  915.097  230.527  801.362  219.431  117.937   15.392  110.296   15.666 7.641273 21.96224 
1 1 1  -39    1   22 o   66.742   16.008  297.294  161.789  298.780  229.362  295.823  228.250   66.876   22.666   66.608   22.611 0.2679672 32.01590 
1 1 1  -39    1   23 o   75.519   16.975  410.046  183.097  423.434  251.347  394.909  267.261   76.574   23.553   74.464   24.451 2.110092 33.94968 
1 1 1  -39    1   24 f   64.979   15.437  281.452  161.399  117.591  233.205  432.095  223.602   53.335   21.772   76.623   21.890 -23.28770 30.87323 
1 1 1  -39    1   25 o   51.520   15.771   50.162  188.985   36.446  254.652   66.977  281.960   49.836   21.645   53.204   22.942 -3.367355 31.54127 
1 1 1  -39    1   26 o   38.418   13.321 -566.2087  211.169 -132.2507  324.322 -885.5743  278.225   47.647   22.158   29.190   14.795 18.45739 26.64298 
1 1 1  -39    3    1 o  184.032   4.1667  2149.18   97.230  2312.54  141.700  2003.83  133.659  190.624   5.8535  177.439   5.9316 13.18428 8.333487 
1 1 1  -39    3    2 o  146.068   4.8825  1356.89   90.254  1520.48  130.409  1206.49  125.036  154.522   6.6457  137.614   7.1548 16.90804 9.765053 
1 1 1  -39    3    3 o  160.186   4.6662  1638.15   94.673  1729.79  131.883  1540.72  135.987  164.840   6.3001  155.532   6.8849 9.308182 9.332411 
1 1 1  -39    3    4 o  106.020   6.7883  719.367   90.919  703.586  134.838  732.524  123.119  104.917   10.120  107.124   9.0503 -2.206741 13.57664 
1 1 1  -39    3    5 o   82.750   8.2971  436.055   86.906  405.969  117.279  472.695  129.424   79.611   11.600   85.888   11.866 -6.276558 16.59425 
1 1 1  -39    3    6 o  309.210   3.8658  6074.32  151.554  5941.63  207.586  6225.79  221.777  305.612   5.3487  312.808   5.5829 -7.196259 7.731620 
1 1 1  -39    3    7 o  160.676   5.0985  1647.47  103.119  1664.46  137.438  1625.60  155.981  161.663   6.6945  159.688   7.6917 1.974747 10.19698 
1 1 1  -39    3    8 o  168.876   4.9333  1809.12  105.539  1708.61  143.228  1928.54  156.112  163.773   6.8867  173.979   7.0658 -10.20616 9.866693 
1 1 1  -39    3    9 f   95.381   7.9370  584.867   95.785  619.581  132.724  547.135  138.374   98.389   10.622   92.373   11.796 6.016319 15.87391 
1 1 1  -39    3   10 o   33.115   10.328 -90.6380   93.750   43.875  128.596 -243.2283  136.965   39.974   16.224   26.256   12.785 13.71731 20.65662 
1 1 1  -39    3   11 o   81.734   10.246  438.328  103.966  452.278  144.752  423.464  149.421   83.802   13.602   79.666   15.326 4.136078 20.49109 
1 1 1  -39    3   12 o  130.824   6.4840  1094.94  107.442  1196.61  153.090  996.258  150.827  136.847   8.8092  124.800   9.5167 12.04630 12.96801 
1 1 1  -39    3   13 o   76.865   11.001  396.845  103.681  439.633  146.796  354.253  146.458   81.247   14.772   72.482   16.306 8.765633 22.00203 
1 1 1  -39    3   14 o   47.801   12.837  108.969  107.763   87.666  157.280  127.818  147.947   46.539   18.254   49.063   18.055 -2.524525 25.67430 
1 1 1  -39    3   15 o  114.936   8.0995  856.251  116.858  709.424  165.373  1002.68  165.152  104.889   12.415  124.983   10.405 -20.09380 16.19900 
1 1 1  -39    3   16 o   59.930   13.257  236.235  112.289  217.681  162.016  253.385  155.770   58.251   19.033   61.608   18.458 -3.357300 26.51304 
1 1 1  -39    3   17 o   26.346   9.2692 -415.7689  120.389 -420.3759  180.270 -412.0601  161.744   27.448   13.614   25.245   12.583 2.202869 18.53847 
1 1 1  -39    3   18 o  464.415   6.9715 13777.19  411.157   0.0000   0.0000 13777.19  411.157  ?   ?   464.415   6.9715      ?      ? 
1 1 1  -39    3   19 o   46.613   13.581   0.0034  141.699  169.513  199.179 -173.7028  201.629   55.979   20.882   37.247   17.371 18.73187 27.16264 
1 1 1  -39    3   20 o   81.774   13.082  469.203  138.188  291.257  202.337  624.759  189.179   65.978   21.248   97.571   15.268 -31.59317 26.16462 
1 1 1  -39    3   21 o  111.341   20.352  846.002  210.521  830.754  223.365  967.269  629.918  112.162   15.682  110.521   37.563 1.641357 40.70451 
1 1 1  -39    3   22 o  114.531   10.503  850.982  151.119  990.743  235.689  753.412  196.926  122.257   15.181  106.805   14.519 15.45251 21.00589 
1 1 1  -39    3   23 o   50.569   15.118   42.662  167.738  134.389  252.372 -29.9248  224.502   56.030   22.733   45.108   19.934 10.92191 30.23530 
1 1 1  -39    3   24 o   46.382   14.236 -65.2707  163.936  165.370  248.370 -243.3246  218.226   56.836   22.730   35.929   17.146 20.90741 28.47131 
1 1 1  -39    3   25 o   70.359   19.618  292.420  221.737  571.519  470.986  212.943  251.333   81.889   31.734   58.830   23.075 23.05865 39.23618 
1 1 1  -39    3   26 o  136.658   11.828  1662.07  202.370 -58.9925  285.719  3394.63  286.671   46.932   21.451  226.384   9.9715 -179.4522 23.65539 
1 1 1  -39    3   27 o   38.346   12.863 -193.5072  172.282 -57.5773  212.821 -451.9404  293.448   40.304   18.456   36.388   17.922 3.916039 25.72543 
1 1 1  -39    5    1 o   54.831   10.565  202.657   79.295  275.213  107.399  115.710  117.569   64.219   13.593   45.443   16.179 18.77596 21.13098 
1 1 1  -39    5    2 o   96.245   7.1523  608.358   84.682  675.694  111.026  514.702  130.939  102.888   8.4973   89.603   11.507 13.28478 14.30455 
1 1 1  -39    5    3 f  136.241   5.4428  1179.80   93.959  1076.09  129.186  1296.27  136.906  129.895   7.8315  142.587   7.5608 -12.69197 10.88565 
1 1 1  -39    5    4 o   67.764   10.092  305.202   85.766  374.985  120.472  233.488  122.127   76.425   12.413   59.103   15.916 17.32272 20.18443 
1 1 1  -39    5    5 o  137.375   5.5413  1201.31   96.531  1163.03  132.281  1244.90  141.185  135.048   7.7131  139.701   7.9581 -4.653030 11.08260 
1 1 1  -39    5    6 f  191.680   4.5698  2340.45  110.748  2344.25  149.825  2335.88  164.434  191.879   6.1487  191.481   6.7622 0.3981171 9.139668 
1 1 1  -39    5    7 o  251.173   4.1084  4015.22  130.863  4002.40  180.234  4029.51  190.315  250.766   5.6597  251.581   5.9569 -0.8155975 8.216803 
1 1 1  -39    5    8 o   68.278   10.560  323.647   94.135  478.422  128.938  146.990  137.752   86.347   11.759   50.209   17.545 36.13801 21.12064 
1 1 1  -39    5    9 o   93.172   8.4631  556.462   99.994  516.610  138.505  599.845  144.511   89.677   12.162   96.667   11.772 -6.989944 16.92615 
1 1 1  -39    5   10 o  177.149   5.1521  2001.23  115.893  2039.96  164.545  1963.10  163.258  178.854   7.2445  175.444   7.3276 3.410675 10.30417 
1 1 1  -39    5   11 o   82.197   10.580  445.361  107.886  409.019  152.993  481.308  152.159   78.048   15.974   86.346   13.876 -8.298180 21.15948 
1 1 1  -39    5   12 o  110.667   8.0160  807.350  109.384  986.070  150.907  609.503  158.777  124.095   9.5758   97.238   12.858 26.85741 16.03195 
1 1 1  -39    5   13 o   84.145   10.972  470.951  114.122  412.318  163.411  526.775  159.449   78.059   16.969   90.231   13.915 -12.17251 21.94478 
1 1 1  -39    5   14 o  215.362   5.1495  2967.88  140.124  3032.86  190.091  2890.55  207.363  218.016   6.8659  212.709   7.6766 5.306381 10.29904 
1 1 1  -39    5   15 o   46.697   12.770   86.567  108.487   36.923  144.485  150.728  164.258   41.174   17.009   52.220   19.053 -11.04579 25.54039 
1 1 1  -39    5   16 o   23.054   11.616 -591.3263  115.012 -491.3480  157.008 -707.0958  168.953   23.054   11.616  ?   ?       ?      ? 
1 1 1  -39    5   18 o   37.350   12.020 -163.6226  135.316 -380.1409  202.471   11.148  181.907   31.059   15.214   43.641   18.614 -12.58207 24.04018 
1 1 1  -39    5   19 o  106.805   11.082  750.542  149.576  659.597  209.120  845.809  214.031   99.984   16.470  113.626   14.833 -13.64198 22.16453 
1 1 1  -39    5   20 o   65.082   15.554  277.542  152.086  293.376  227.521  264.752  204.482   66.643   22.575   63.522   21.402 3.121452 31.10776 
1 1 1  -39    5   21 f   44.591   13.695  -9.8429  143.225   30.228  216.961 -40.7927  190.676   47.808   20.358   41.373   18.323 6.435131 27.38973 
1 1 1  -39    5   22 o   56.419   14.188  173.579  113.436  138.369  130.304  283.776  230.522   47.815   17.031   65.023   22.698 -17.20794 28.37695 
1 1 1  -39    5   23 o  102.566   13.988  755.923  177.227  664.874  259.036  836.053  243.006   94.782   21.952  110.350   17.341 -15.56808 27.97503 
1 1 1  -39    5   24 o   55.647   17.105 -30.1614  183.934  387.814  412.576 -133.8431  205.485   73.350   29.309   37.944   17.643 35.40568 34.20926 
1 1 1  -39    5   25 o   26.299   13.349 -1022.2120  182.756 -782.7587  232.228 -1411.7710  296.204   26.299   13.349  ?   ?       ?      ? 
1 1 1  -39    5   26 o   35.881   12.358 -357.3339  184.572 -205.9512  237.148 -589.9271  293.955   37.580   17.917   34.182   17.025 3.398071 24.71613 
1 1 1  -39    5   27 o   55.011   15.016  192.661  173.111 -102.3055  271.576  394.541  224.672   42.619   19.969   67.403   22.432 -24.78398 30.03254 
1 1 1  -39    5   28 o   41.604   19.306 -41.7359  244.154   0.0000   0.0000 -41.7359  244.154  ?   ?    41.604   19.306      ?      ? 
1 1 1  -39    7    1 o  187.325   4.5461  2238.36  107.357  2254.43  143.700  2218.08  161.506  188.128   6.0149  186.521   6.8184 1.606979 9.092249 
1 1 1  -39    7    2 o  200.775   4.3713  2539.73  109.912  2408.31  142.470  2732.95  172.749  194.472   5.7688  207.077   6.5691 -12.60497 8.742551 
1 1 1  -39    7    3 o  411.268   4.2298 10788.58  220.589 11242.80  308.380 10312.65  315.666  420.187   5.7792  402.348   6.1780 17.83881 8.459699 
1 1 1  -39    7    5 o  122.676   6.3088  960.841   98.215  926.591  135.881  998.310  142.124  120.393   8.8875  124.959   8.9562 -4.565895 12.61751 
1 1 1  -39    7    6 o  118.372   6.4169  885.350   95.801  806.492  126.751  990.423  146.310  112.315   8.8866  124.429   9.2593 -12.11379 12.83377 
1 1 1  -39    7    7 o  129.275   6.4687  1065.20  105.974  977.910  145.362  1164.23  154.825  123.631   9.2586  134.919   9.0363 -11.28841 12.93742 
1 1 1  -39    7    8 o  222.415   4.5664  3141.46  128.462  3031.59  172.877  3276.93  191.962  218.117   6.2413  226.714   6.6674 -8.597107 9.132794 
1 1 1  -39    7    9 o  152.006   6.1531  1482.65  118.099  1298.46  166.686  1668.30  167.351  142.429   9.2156  161.584   8.1555 -19.15463 12.30611 
1 1 1  -39    7   10 f  107.273   8.1031  737.984  110.196  704.106  150.511  777.125  161.779  104.644   11.326  109.903   11.591 -5.259682 16.20612 
1 1 1  -39    7   11 o   42.408   12.212   33.111  109.101  116.222  144.878 -75.7622  165.819   47.694   17.806   37.123   16.717 10.57100 24.42320 
1 1 1  -39    7   12 o  213.788   4.9428  2893.11  132.354  2778.34  171.964  3059.91  207.306  208.707   6.4882  218.869   7.4585 -10.16165 9.885612 
1 1 1  -39    7   13 o  151.647   6.2647  1469.47  120.462  1410.07  164.879  1537.48  176.425  148.384   8.7498  154.910   8.9681 -6.525696 12.52944 
1 1 1  -39    7   14 o  ?   ?  -768.6217  154.423 -768.6217  154.423   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -39    7   15 o  413.082   6.3367 10889.51  332.410 10889.51  332.410   0.0000   0.0000  413.082   6.3367  ?   ?       ?      ? 
1 1 1  -39    7   16 o  159.135   7.3733  1627.68  148.792  1570.39  203.874  1692.97  217.648  156.177   10.279  162.093   10.573 -5.915955 14.74657 
1 1 1  -39    7   17 o   44.940   13.424 -14.1714  139.993  124.585  195.483 -160.2519  200.576   52.299   20.395   37.580   17.459 14.71954 26.84733 
1 1 1  -39    7   18 o   45.126   13.464   10.809  136.847  105.000  188.884 -93.2554  198.538   50.225   19.906   40.026   18.133 10.19934 26.92704 
1 1 1  -39    7   19 o   41.276   12.681  -5.5964  114.103 -13.6359  136.262   13.270  208.742   36.329   15.806   46.223   19.833 -9.893909 25.36104 
1 1 1  -39    7   20 o   98.659   13.278  676.298  160.796  972.520  235.473  417.485  220.103  120.952   15.330   76.365   21.684 44.58641 26.55554 
1 1 1  -39    7   21 o   32.463   11.238 -390.9305  155.983 -449.1493  225.611 -337.6180  215.895   31.686   15.627   33.240   16.155 -1.554752 22.47639 
1 1 1  -39    7   22 o   62.887   17.193  247.372  176.503  139.379  393.768  274.525  197.449   63.309   27.204   62.466   21.031 0.8431511 34.38549 
1 1 1  -39    7   23 o   63.205   16.649   93.682  209.787  614.714  332.478 -250.9850  270.415   86.018   27.189   40.393   19.224 45.62490 33.29814 
1 1 1  -39    7   24 o  122.646   9.6952  803.093  190.208 -495.4417  238.426  3076.20  315.454   31.266   15.533  214.026   11.606 -182.7602 19.39045 
1 1 1  -39    7   25 o   45.123   14.199   1.3871  167.189 -99.9911  240.705   95.888  232.397   41.219   19.142   49.027   20.978 -7.807922 28.39888 
1 1 1  -39    7   26 o   42.631   14.002 -67.3058  179.918 -59.9884  278.108 -72.5725  235.944   44.329   20.583   40.933   18.989 3.395107 28.00410 
1 1 1  -39    7   27 o   52.943   15.310  197.103  170.031  340.668  244.112   61.819  236.967   60.691   23.015   45.196   20.196 15.49528 30.61918 
1 1 1  -39    9    1 o  164.148   5.0921  1702.72  102.893  1650.57  129.484  1792.06  169.486  160.877   6.3379  167.419   7.9717 -6.541443 10.18417 
1 1 1  -39    9    2 o  177.983   7.7428  2024.41  175.007   0.0000   0.0000  2024.41  175.007  ?   ?   177.983   7.7428      ?      ? 
1 1 1  -39    9    3 o  105.217   7.7261  711.433  101.465  709.287  131.818  714.554  158.946  105.144   9.8722  105.289   11.887 -0.1454620 15.45222 
1 1 1  -39    9    4 o  239.948   5.6919  3668.46  173.441  3668.46  173.441   0.0000   0.0000  239.948   5.6919  ?   ?       ?      ? 
1 1 1  -39    9    5 o  106.766   7.3392  737.497   97.261  759.307  126.053  705.410  152.896  108.870   9.1174  104.661   11.504 4.208397 14.67849 
1 1 1  -39    9    6 o   52.250   11.771  125.961   99.272  -8.5707  129.279  319.280  154.972   36.012   15.532   68.487   17.693 -32.47513 23.54288 
1 1 1  -39    9    7 o   64.241   12.055  281.665   98.689  293.900  126.108  262.332  158.522   65.915   15.351   62.568   18.592 3.346302 24.11044 
1 1 1  -39    9    8 o   53.203   12.721  141.900  104.130   58.764  130.824  285.628  172.013   41.254   16.497   65.151   19.368 -23.89713 25.44174 
1 1 1  -39    9    9 o  138.312   8.2946  1224.22  145.691  1224.22  145.691   0.0000   0.0000  138.312   8.2946  ?   ?       ?      ? 
1 1 1  -39    9   10 o   85.753   11.460  471.854  120.321  296.288  156.816  723.150  187.613   65.989   18.147  105.517   14.001 -39.52837 22.92052 
1 1 1  -39    9   11 f  442.961   7.0611 12534.35  397.205   0.0000   0.0000 12534.35  397.205  ?   ?   442.961   7.0611      ?      ? 
1 1 1  -39    9   13 o   68.974   13.440  314.871  127.040  184.996  173.186  466.167  186.924   55.574   19.652   82.375   18.340 -26.80172 26.88031 
1 1 1  -39    9   14 o   93.822   10.238  486.640  109.243  349.126  127.118  875.073  213.643   71.929   14.418  115.714   14.539 -43.78459 20.47591 
1 1 1  -39    9   15 o   65.558   12.973  251.969  105.812  181.266  125.108  429.625  198.315   52.594   16.684   78.522   19.871 -25.92787 25.94640 
1 1 1  -39    9   16 o   68.072   12.041  337.108  105.154  397.433  127.685  209.957  185.376   78.075   12.878   58.070   20.349 20.00505 24.08195 
1 1 1  -39    9   17 o   58.520   13.551   93.513  119.751 -40.0116  138.856  481.063  236.563   35.042   15.572   81.997   22.181 -46.95478 27.10174 
1 1 1  -39    9   18 f   97.556   11.795  669.311  125.190  696.530  147.732  599.972  235.793  103.411   11.249   91.702   20.734 11.70885 23.58928 
1 1 1  -39    9   19 o   43.376   13.547 -41.7579  148.316   38.064  213.055 -116.8134  206.596   47.385   20.176   39.368   18.085 8.016865 27.09486 
1 1 1  -39    9   20 o   49.539   15.412   10.652  179.327 -25.7077  313.072   28.408  218.773   52.127   23.259   46.951   20.227 5.176582 30.82369 
1 1 1  -39    9   21 o   46.333   14.966 -85.4424  195.116 -257.1187  332.946   4.3564  240.798   45.586   21.589   47.080   20.733 -1.494286 29.93230 
1 1 1  -39    9   22 o   41.208   13.213 -122.0773  164.413   75.390  206.611 -463.0059  271.481   47.317   19.995   35.099   17.277 12.21791 26.42558 
1 1 1  -39    9   23 o   36.773   12.378 -323.9219  171.588 -13.2352  232.455 -695.8754  254.345   44.249   19.871   29.296   14.764 14.95263 24.75541 
1 1 1  -39    9   24 o   43.027   14.010 -62.6965  176.542   4.0824  259.390 -120.3247  240.963   45.960   20.782   40.095   18.794 5.864807 28.01961 
1 1 1  -39    9   25 o   43.585   14.299 -44.2622  188.805 -166.1915  313.080   25.424  236.688   42.883   20.485   44.286   19.954 -1.402695 28.59722 
1 1 1  -39    9   26 o   31.665   15.890 -576.3647  278.796 -576.3647  278.796   0.0000   0.0000   31.665   15.890  ?   ?       ?      ? 
1 1 1  -39   11    1 o   28.177   9.6371 -256.9561  104.878 -355.2281  142.551 -140.9921  154.852   23.879   11.888   32.475   15.172 -8.595682 19.27411 
1 1 1  -39   11    2 o  109.407   8.6378  760.040  118.744  672.844  154.846  884.516  185.010  101.982   11.956  116.833   12.470 -14.85133 17.27552 
1 1 1  -39   11    3 o  110.380   10.951  785.822  153.499  785.822  153.499   0.0000   0.0000  110.380   10.951  ?   ?       ?      ? 
1 1 1  -39   11    4 o  116.559   8.1623  870.519  119.996  819.392  158.971  938.229  182.945  112.688   11.109  120.430   11.962 -7.741806 16.32462 
1 1 1  -39   11    6 o   30.088   10.162 -260.1500  109.439 -403.2564  145.916 -76.1397  165.460   23.276   11.654   36.900   16.650 -13.62402 20.32326 
1 1 1  -39   11    7 o   48.629   11.728   31.844   82.587 -43.8283   92.412  332.043  184.062   27.721   12.481   69.537   19.858 -41.81644 23.45505 
1 1 1  -39   11    8 o   77.680   11.198  374.225   93.751  347.565  106.583  465.377  197.078   73.333   11.445   82.027   19.250 -8.693787 22.39535 
1 1 1  -39   11    9 o  101.262   8.6402  568.929   96.312  486.835  108.588  871.692  208.533   86.976   9.8311  115.547   14.211 -28.57076 17.28049 
1 1 1  -39   11   10 o   76.421   14.732  407.064  146.946  388.937  206.153  425.787  209.513   74.756   20.901   78.086   20.767 -3.329704 29.46430 
1 1 1  -39   11   11 o   55.018   13.218  121.597  109.028   28.356  128.926  355.678  204.277   38.406   15.982   71.630   21.058 -33.22376 26.43646 
1 1 1  -39   11   12 o   61.191   13.583  243.762  107.952  238.824  125.378  257.917  212.260   59.122   16.213   63.260   21.797 -4.138630 27.16581 
1 1 1  -39   11   13 o   99.999   10.075  628.505  121.982  567.760  148.538  754.323  213.773   93.292   12.538  106.707   15.775 -13.41497 20.15088 
1 1 1  -39   11   14 o   67.020   13.814  284.920  114.593  244.032  134.327  394.226  219.628   59.545   16.951   74.494   21.817 -14.94920 27.62773 
1 1 1  -39   11   15 o   43.409   13.023   19.695  109.794  -4.3694  126.867   91.489  219.134   35.525   15.354   51.293   21.040 -15.76757 26.04667 
1 1 1  -39   11   16 o   63.639   13.605  263.124  110.746  228.058  131.099  350.496  206.940   57.361   16.872   69.916   21.348 -12.55500 27.21055 
1 1 1  -39   11   17 o   43.726   13.607 -24.0493  147.737 -84.1781  206.857   38.554  211.070   40.530   18.419   46.922   20.033 -6.391563 27.21343 
1 1 1  -39   11   18 o   46.206   14.685 -43.5008  177.815 -110.2541  286.886  -1.8589  226.588   46.596   21.370   45.817   20.146 0.7794151 29.36957 
1 1 1  -39   11   19 o   41.216   13.723 -191.8497  181.440 -229.6087  236.800 -138.1628  282.362   37.733   17.966   44.700   20.749 -6.966274 27.44689 
1 1 1  -39   11   20 o  183.230   9.3119  2190.45  201.233  2030.27  239.972  2569.94  369.376  174.489   10.830  191.972   15.151 -17.48253 18.62382 
1 1 1  -39   11   21 o   36.160   12.515 -379.8083  170.010 -512.6927  209.504 -123.5605  290.927   27.827   13.937   44.494   20.790 -16.66714 25.02914 
1 1 1  -39   11   22 o   39.946   13.290 -132.0930  173.125 -178.9748  259.809 -94.6510  232.184   39.717   18.885   40.175   18.705 -0.4582062 26.58014 
1 1 1  -39   11   23 o   51.050   15.255  158.445  163.847  213.083  275.485  128.539  203.814   54.567   23.075   47.533   19.960 7.034653 30.51048 
1 1 1  -39   11   24 o   46.032   15.075   25.363  197.104   64.231  346.400   6.7534  239.689   49.393   22.946   42.671   19.557 6.722073 30.14973 
1 1 1  -39   13    1 o  171.905   5.5725  1895.76  107.472  1892.63  125.460  1904.39  208.303  172.109   5.7402  171.700   9.5532 0.4085999 11.14507 
1 1 1  -39   13    2 o  206.388   5.0337  2734.23  115.760  2738.63  134.716  2721.83  226.321  207.172   5.1205  205.604   8.6679 1.568527 10.06738 
1 1 1  -39   13    3 o  130.540   6.8039  1114.53   98.886  1130.47  115.468  1070.68  191.521  132.857   6.8438  128.224   11.762 4.632355 13.60788 
1 1 1  -39   13    4 o  203.620   4.8968  2577.85  114.286  2480.19  134.015  2838.25  218.829  197.117   5.3537  210.123   8.2008 -13.00597 9.793588 
1 1 1  -39   13    5 o  173.420   5.3344  1911.46  109.174  1880.70  131.501  1979.68  195.843  171.523   6.0371  175.318   8.7964 -3.794937 10.66881 
1 1 1  -39   13    6 o  149.069   6.2567  1467.13  105.639  1513.87  125.155  1351.32  197.001  153.815   6.4072  144.323   10.749 9.492264 12.51349 
1 1 1  -39   13    7 o   52.165   12.848  169.828   99.896  179.367  119.540  147.745  181.885   51.876   16.290   52.455   19.872 -0.5793610 25.69583 
1 1 1  -39   13    8 o   70.822   12.184  321.840   99.915  283.404  117.279  423.585  190.812   64.253   14.693   77.392   19.440 -13.13842 24.36803 
1 1 1  -39   13    9 f   66.486   12.925  283.467  106.688  230.653  128.415  401.150  191.692   57.854   16.608   75.119   19.811 -17.26452 25.85096 
1 1 1  -39   13   10 o   66.459   12.589  310.464  103.133  316.620  123.462  296.249  187.605   67.814   14.756   65.104   20.402 2.710373 25.17869 
1 1 1  -39   13   11 o   89.837   10.935  600.021  107.266  677.385  129.540  431.265  191.322  102.090   9.9918   77.584   19.454 24.50600 21.87003 
1 1 1  -39   13   12 o   69.748   12.843  344.224  107.934  345.062  127.999  342.164  200.795   70.616   14.749   68.880   21.028 1.735710 25.68531 
1 1 1  -39   13   13 o   80.806   12.527  478.613  116.355  506.775  137.416  407.279  218.703   87.476   12.370   74.136   21.787 13.33939 25.05421 
1 1 1  -39   13   14 o   77.584   12.027  440.974  111.465  476.439  136.304  369.376  193.669   84.520   12.699   70.647   20.429 13.87292 24.05419 
1 1 1  -39   13   15 o   59.669   13.844  168.105  138.406 -33.2187  176.239  492.078  223.568   39.079   17.443   80.258   21.502 -41.17874 27.68720 
1 1 1  -39   13   16 o   32.190   11.267 -378.8434  154.758 -275.4174  179.616 -676.8587  304.895   30.077   14.645   34.303   17.126 -4.225573 22.53353 
1 1 1  -39   13   17 o  343.413   6.6357  7787.32  281.344  7813.03  359.093  7746.45  452.750  345.697   8.1796  341.130   10.451 4.566772 13.27146 
1 1 1  -39   13   18 o   46.581   14.418   48.599  160.630   44.566  210.462   54.227  248.602   45.023   19.616   48.139   21.136 -3.115234 28.83621 
1 1 1  -39   13   19 o   42.311   13.470 -153.8486  179.649 -652.3493  285.723  172.068  231.029   32.181   16.141   52.442   21.568 -20.26046 26.93927 
1 1 1  -39   13   20 o   60.398   16.163  314.880  175.879  207.210  275.012  389.393  228.781   54.638   23.078   66.157   22.636 -11.51854 32.32632 
1 1 1  -39   13   21 o   56.008   16.046  261.298  173.769  305.028  281.233  234.293  221.005   58.254   23.859   53.762   21.462 4.492569 32.09110 
1 1 1  -39   15    1 o   26.011   12.738 -252.9409  141.644 -252.9409  141.644   0.0000   0.0000   26.011   12.738  ?   ?       ?      ? 
1 1 1  -39   15    2 o  128.897   9.3132  1085.39  152.446  1085.39  152.446   0.0000   0.0000  128.897   9.3132  ?   ?       ?      ? 
1 1 1  -39   15    3 o  165.519   7.3743  1770.62  155.006  1770.62  155.006   0.0000   0.0000  165.519   7.3743  ?   ?       ?      ? 
1 1 1  -39   15    4 o   33.464   15.319 -76.9237  146.458 -76.9237  146.458   0.0000   0.0000   33.464   15.319  ?   ?       ?      ? 
1 1 1  -39   15    5 o  154.639   7.1443  1572.42  135.723  1581.61  171.990  1557.24  220.969  155.896   8.6874  153.382   11.344 2.513947 14.28862 
1 1 1  -39   15    6 o   48.224   13.494  116.395  116.321  111.250  140.876  127.420  206.200   45.282   17.408   51.166   20.622 -5.884445 26.98780 
1 1 1  -39   15    7 o   48.316   13.862   98.023  124.618   73.451  150.395  151.852  222.596   43.000   17.511   53.631   21.493 -10.63102 27.72327 
1 1 1  -39   15    8 o   28.444   9.9917 -285.0837   98.396 -329.3979  112.679 -142.7690  201.928   19.820   9.9675   37.069   17.320 -17.24908 19.98349 
1 1 1  -39   15    9 o   80.732   12.585  391.043  105.134  328.739  116.733  658.640  241.923   68.454   13.903   93.011   20.981 -24.55708 25.16940 
1 1 1  -39   15   10 o   37.035   18.032 -479.9218  122.014 -505.9786  136.490 -376.2579  272.241  ?   ?    37.035   18.032      ?      ? 
1 1 1  -39   15   11 o  155.295   16.111  1701.15  317.739   0.0000   0.0000  1701.15  317.739  ?   ?   155.295   16.111      ?      ? 
1 1 1  -39   15   12 o   55.386   23.309  157.193  278.940   0.0000   0.0000  157.193  278.940  ?   ?    55.386   23.309      ?      ? 
1 1 1  -39   15   13 o   56.222   15.751  147.649  161.503   28.523  194.842  409.195  288.704   43.042   18.810   69.402   25.269 -26.35915 31.50150 
1 1 1  -39   15   14 o   58.490   15.451  186.917  159.889   22.114  199.075  486.433  268.377   42.690   18.823   74.289   24.507 -31.59888 30.90184 
1 1 1  -39   15   15 o   50.552   13.917  140.385  134.412   18.541  177.800  302.889  205.334   40.345   17.789   60.760   21.408 -20.41527 27.83422 
1 1 1  -39   15   16 o   48.793   14.395  134.956  153.192   20.279  244.778  208.794  196.413   44.821   20.235   52.764   20.480 -7.942860 28.79055 
1 1 1  -39   15   17 o   42.615   13.706   1.5811  158.624   63.252  251.665 -39.0688  204.320   46.256   20.731   38.974   17.934 7.282177 27.41128 
1 1 1  -39   15   18 o   43.209   20.174 -28.9081  273.116 -28.9081  273.116   0.0000   0.0000   43.209   20.174  ?   ?       ?      ? 
1 1 1  -39   17    1 o   76.037   15.532  432.290  144.909  432.290  144.909   0.0000   0.0000   76.037   15.532  ?   ?       ?      ? 
1 1 1  -39   17    2 o   52.570   17.597  210.435  138.220  210.435  138.220   0.0000   0.0000   52.570   17.597  ?   ?       ?      ? 
1 1 1  -39   17    3 o   30.764   14.520 -118.9828  148.305 -118.9828  148.305   0.0000   0.0000   30.764   14.520  ?   ?       ?      ? 
1 1 1  -39   17    4 o   55.404   17.822  237.486  142.380  237.486  142.380   0.0000   0.0000   55.404   17.822  ?   ?       ?      ? 
1 1 1  -39   17    5 o   28.402   13.829 -228.9917  160.171 -228.9917  160.171   0.0000   0.0000   28.402   13.829  ?   ?       ?      ? 
1 1 1  -39   17    6 o   41.410   17.259   75.255  150.674   75.255  150.674   0.0000   0.0000   41.410   17.259  ?   ?       ?      ? 
1 1 1  -39   17    7 o   72.634   16.816  406.142  152.053  406.142  152.053   0.0000   0.0000   72.634   16.816  ?   ?       ?      ? 
1 1 1  -39   17    8 o   53.937   18.696  227.996  156.268  227.996  156.268   0.0000   0.0000   53.937   18.696  ?   ?       ?      ? 
1 1 1  -39   17    9 o   61.465   23.227  335.154  248.079  335.154  248.079   0.0000   0.0000   61.465   23.227  ?   ?       ?      ? 
1 1 1  -38    0    1 o   20.809   9.9342 -50.4141  108.159 -50.4141  108.159 -50.4141  108.159   20.809   14.049   20.809   14.049 -0.000000 0.000000 
1 1 1  -38    0    2 o   94.359   7.4901  588.068  122.821  588.068  122.821  588.068  122.821   94.359   10.593   94.359   10.593 -0.000000 0.000000 
1 1 1  -38    0    3 o   52.248   13.777  234.578  120.367  234.578  120.367  234.578  120.367   52.248   19.483   52.248   19.483 -0.000000 0.000000 
1 1 1  -38    0    4 o  403.132   4.0550 10334.74  293.449 10334.74  293.449 10334.74  293.449  403.132   5.7346  403.132   5.7346 -0.000000 0.000000 
1 1 1  -38    0    5 o  174.287   4.5121  1938.66  140.802  1938.66  140.802  1938.66  140.802  174.287   6.3810  174.287   6.3810 -0.000000 0.000000 
1 1 1  -38    0    6 o  126.069   6.0466  1025.06  135.457  1025.06  135.457  1025.06  135.457  126.069   8.5512  126.069   8.5512 -0.000000 0.000000 
1 1 1  -38    0    7 o   73.723   10.123  383.269  119.511  383.269  119.511  383.269  119.511   73.723   14.316   73.723   14.316 -0.000000 0.000000 
1 1 1  -38    0    8 o   47.845   14.542  208.999  128.101  208.999  128.101  208.999  128.101   47.845   20.566   47.845   20.566 -0.000000 0.000000 
1 1 1  -38    0    9 o   93.214   8.0114  577.722  128.835  577.722  128.835  577.722  128.835   93.214   11.330   93.214   11.330 -0.000000 0.000000 
1 1 1  -38    0   10 o  128.421   6.1199  1063.81  139.675  1063.81  139.675  1063.81  139.675  128.421   8.6548  128.421   8.6548 -0.000000 0.000000 
1 1 1  -38    0   11 o   89.019   9.6580  540.154  143.602  540.154  143.602  540.154  143.602   89.019   13.659   89.019   13.659 -0.000000 0.000000 
1 1 1  -38    0   12 o   36.953   14.702  117.900  148.197  117.900  148.197  117.900  148.197   36.953   20.792   36.953   20.792 -0.000000 0.000000 
1 1 1  -38    0   13 o  266.181   4.4299  4512.85  211.505  4512.85  211.505  4512.85  211.505  266.181   6.2648  266.181   6.2648 -0.000000 0.000000 
1 1 1  -38    0   14 f   30.264   13.551   23.661  158.612   23.661  158.612   23.661  158.612   30.264   19.163   30.264   19.163 -0.000000 0.000000 
1 1 1  -38    0   15 o  174.404   5.8164  1949.76  181.259  1949.76  181.259  1949.76  181.259  174.404   8.2257  174.404   8.2257 -0.000000 0.000000 
1 1 1  -38    0   16 o   40.204   15.901  143.285  171.980  143.285  171.980  143.285  171.980   40.204   22.487   40.204   22.487 -0.000000 0.000000 
1 1 1  -38    0   17 o  151.093   7.7326  1480.87  207.302  1480.87  207.302  1480.87  207.302  151.093   10.936  151.093   10.936 -0.000000 0.000000 
1 1 1  -38    0   18 o  102.075   9.3107  699.677  162.872  699.677  162.872  699.677  162.872  102.075   13.167  102.075   13.167 -0.000000 0.000000 
1 1 1  -38    0   19 o   15.810   8.2671 -618.1237  184.801 -618.1237  184.801 -618.1237  184.801   15.810   11.692   15.810   11.692 -0.000000 0.000000 
1 1 1  -38    0   20 o   17.981   9.3513 -594.2222  209.525 -594.2222  209.525 -594.2222  209.525   17.981   13.225   17.981   13.225 -0.000000 0.000000 
1 1 1  -38    0   21 o   30.135   14.049 -31.7759  195.059 -31.7759  195.059 -31.7759  195.059   30.135   19.868   30.135   19.868 -0.000000 0.000000 
1 1 1  -38    0   22 o   57.580   19.597  326.351  234.681  326.351  234.681  326.351  234.681   57.580   27.715   57.580   27.715 -0.000000 0.000000 
1 1 1  -38    0   23 o   55.059   19.207  302.055  227.500  302.055  227.500  302.055  227.500   55.059   27.163   55.059   27.163 -0.000000 0.000000 
1 1 1  -38    0   24 o   38.658   19.439 -664.6882  581.870 -664.6882  581.870 -664.6882  581.870   38.658   27.491   38.658   27.491 -0.000000 0.000000 
1 1 1  -38    0   25 o   36.462   16.789   12.246  266.009   12.246  266.009   12.246  266.009   36.462   23.744   36.462   23.744 -0.000000 0.000000 
1 1 1  -38    0   26 o   33.966   15.885 -18.6479  252.662 -18.6479  252.662 -18.6479  252.662   33.966   22.465   33.966   22.465 -0.000000 0.000000 
1 1 1  -38    0   27 o  311.035   7.0146  6293.61  390.936  6293.61  390.936  6293.61  390.936  311.035   9.9202  311.035   9.9202 -0.000000 0.000000 
1 1 1  -38    2    1 o  205.691   3.9634  2690.75  103.512  2659.16  144.812  2723.75  148.016  204.459   5.5773  206.923   5.6328 -2.464294 7.926784 
1 1 1  -38    2    2 o  101.402   6.6907  657.643   85.628  669.887  115.505  642.702  127.588  102.483   8.8751  100.320   10.015 2.162483 13.38146 
1 1 1  -38    2    3 o  265.261   3.7805  4472.48  127.313  4368.15  177.409  4583.27  182.807  262.075   5.3306  268.448   5.3624 -6.373260 7.561069 
1 1 1  -38    2    4 o  230.691   3.9249  3385.23  114.976  3404.27  161.954  3365.88  163.255  231.347   5.5125  230.034   5.5885 1.313629 7.849822 
1 1 1  -38    2    5 o   48.069   11.745  135.002   87.244  145.030  124.242  125.247  122.540   49.181   16.682   46.956   16.539 2.225113 23.49076 
1 1 1  -38    2    6 o  126.136   5.7199  1006.96   91.126  871.255  123.755  1167.67  134.681  116.904   8.3360  135.369   7.8345 -18.46480 11.43975 
1 1 1  -38    2    7 o  237.020   4.0638  3574.07  122.318  3546.52  172.790  3601.74  173.178  236.103   5.7629  237.937   5.7313 -1.833633 8.127619 
1 1 1  -38    2    8 o  155.297   5.1259  1534.89  101.036  1575.97  145.865  1497.01  140.083  157.288   7.3026  153.305   7.1954 3.983734 10.25188 
1 1 1  -38    2    9 o  108.296   7.1992  751.620   98.556  774.758  134.398  724.702  144.959  110.142   9.6086  106.449   10.723 3.692825 14.39835 
1 1 1  -38    2   10 o  194.978   4.6292  2420.74  114.571  2325.06  161.313  2518.14  162.752  191.082   6.6477  198.875   6.4442 -7.792892 9.258497 
1 1 1  -38    2   11 o   96.785   8.0179  600.253   98.487  590.956  141.095  609.086  137.535   96.036   11.569   97.533   11.104 -1.496704 16.03574 
1 1 1  -38    2   12 o  101.001   8.3888  654.157  107.348  655.790  157.328  652.735  146.840  101.085   12.256  100.917   11.458 0.1681213 16.77758 
1 1 1  -38    2   13 o  125.816   7.4605  1055.65  113.532  714.015  164.775  1364.42  156.650  105.438   12.306  146.194   8.4377 -40.75605 14.92092 
1 1 1  -38    2   14 o  135.367   6.9134  1173.14  118.704  1103.23  167.312  1244.00  168.440  131.276   10.036  139.458   9.5110 -8.181580 13.82682 
1 1 1  -38    2   15 o   67.109   13.211  301.804  117.979  364.348  168.804  242.076  164.958   73.276   18.218   60.941   19.136 12.33468 26.42149 
1 1 1  -38    2   16 o   63.796   13.549  264.013  118.820  332.934  180.032  210.823  158.158   70.067   19.512   57.525   18.806 12.54249 27.09889 
1 1 1  -38    2   17 o   48.020   13.211   98.493  115.544  116.727  170.341   82.954  157.251   49.953   19.157   46.087   18.196 3.865505 26.42136 
1 1 1  -38    2   18 o   48.666   12.945   94.436  115.314  -9.8991  160.177  206.689  166.145   39.977   17.265   57.355   19.292 -17.37723 25.88939 
1 1 1  -38    2   20 o  116.739   9.8294  892.641  144.285  752.470  204.111  1032.65  203.990  107.288   14.981  126.189   12.729 -18.90066 19.65871 
1 1 1  -38    2   21 o  137.366   8.7048  1199.70  150.324  1440.17  231.930  1025.50  197.402  149.012   12.256  125.719   12.364 23.29279 17.40952 
1 1 1  -38    2   22 o   47.103   14.532 -16.1941  163.867 -21.4568  232.768 -11.0232  230.732   46.952   20.538   47.254   20.564 -0.3017044 29.06310 
1 1 1  -38    2   23 o   57.692   15.612  175.137  156.800  215.741  250.101  148.840  201.268   61.488   23.301   53.895   20.784 7.592777 31.22318 
1 1 1  -38    2   24 o   49.140   14.805   28.477  165.056 -56.4852  231.191  116.803  235.724   44.507   19.914   53.773   21.913 -9.265797 29.60933 
1 1 1  -38    2   25 o   45.740   14.279 -36.5988  165.684   74.897  238.542 -140.5222  230.299   50.912   21.498   40.569   18.799 10.34204 28.55815 
1 1 1  -38    2   26 o   54.095   16.727   31.933  233.276 -534.6671  465.746  221.674  269.520   48.351   23.551   59.839   23.759 -11.48804 33.45368 
1 1 1  -38    2   27 o  267.925   7.8930  4798.20  267.932  5270.18  391.115  4380.85  367.786  280.529   10.979  255.321   11.343 25.20862 15.78595 
1 1 1  -38    2   28 o   43.140   20.600 -209.3335  316.055   0.0000   0.0000 -209.3335  316.055  ?   ?    43.140   20.600      ?      ? 
1 1 1  -38    4    1 o   64.474   10.250  277.374   81.894  297.986  117.933  258.179  113.809   66.828   14.327   62.120   14.663 4.708111 20.49978 
1 1 1  -38    4    2 o  111.411   6.0386  794.440   85.132  838.380  117.807  746.416  123.160  114.673   8.0897  108.150   8.9674 6.522400 12.07715 
1 1 1  -38    4    3 f   66.301   9.8356  292.987   80.153  285.700  114.616  299.961  112.132   65.435   14.201   67.167   13.612 -1.731239 19.67116 
1 1 1  -38    4    4 o  100.501   7.0765  646.060   90.154  601.273  127.452  690.909  127.541   96.989   10.348  104.012   9.6558 -7.022751 14.15305 
1 1 1  -38    4    5 o  415.089   4.2048 10964.60  221.587 10972.79  309.912 10956.04  316.950  415.258   5.8768  414.919   6.0152 0.3383179 8.409499 
1 1 1  -38    4    6 o  211.051   4.2744  2835.72  114.093  2845.23  154.656  2824.37  169.001  211.461   5.7592  210.640   6.3179 0.8214569 8.548881 
1 1 1  -38    4    7 o  156.534   5.0814  1564.46  100.627  1725.89  142.601  1404.35  142.018  164.621   6.8212  148.448   7.5334 16.17282 10.16272 
1 1 1  -38    4    8 o   63.857   10.738  284.370   92.254  398.629  121.521  128.943  141.733   78.853   12.135   48.861   17.718 29.99196 21.47562 
1 1 1  -38    4    9 o  101.575   7.5257  655.422   96.706  605.295  130.065  717.393  144.616   97.271   10.529  105.879   10.756 -8.607559 15.05149 
1 1 1  -38    4   10 o  152.960   5.6640  1492.38  109.831  1378.36  153.885  1610.77  156.807  146.984   8.2442  158.936   7.7690 -11.95129 11.32801 
1 1 1  -38    4   11 o   93.971   8.7117  568.144  103.590  624.360  146.738  512.294  146.260   98.664   11.711   89.277   12.901 9.387466 17.42345 
1 1 1  -38    4   12 o   71.598   11.981  344.956  107.277  317.934  148.811  374.194  154.791   68.659   17.125   74.536   16.760 -5.877235 23.96142 
1 1 1  -38    4   13 o  128.194   7.1054  1053.08  115.496  1122.63  163.630  984.035  163.044  132.449   9.7283  123.939   10.359 8.509567 14.21088 
1 1 1  -38    4   14 o  130.345   6.9850  1098.30  114.510  1200.72  156.731  981.028  167.710  137.019   9.0073  123.672   10.679 13.34779 13.97008 
1 1 1  -38    4   15 o   47.926   11.257 -39.6878  113.638 -351.9448  153.844  335.254  168.581   25.607   12.679   70.244   18.603 -44.63647 22.51329 
1 1 1  -38    4   16 o   63.734   12.927  252.630  122.815  441.198  176.369   75.117  171.122   80.568   17.720   46.901   18.828 33.66679 25.85482 
1 1 1  -38    4   17 o   36.212   11.658 -101.4437  119.049 -166.1442  177.270 -48.2906  160.674   34.584   16.182   37.840   16.786 -3.255878 23.31556 
1 1 1  -38    4   19 o   31.265   10.871 -397.9803  143.044 -342.5153  227.379 -434.3095  184.021   34.960   16.893   27.569   13.688 7.390945 21.74244 
1 1 1  -38    4   20 o   37.853   12.459 -191.1319  149.284 -337.2836  227.056 -79.8503  198.126   35.013   16.909   40.693   18.303 -5.680099 24.91874 
1 1 1  -38    4   21 o   87.634   13.984  537.341  152.848  645.286  216.920  430.894  215.408   96.943   18.291   78.326   21.157 18.61720 27.96745 
1 1 1  -38    4   22 o   46.872   14.163   9.2001  148.210   86.122  230.560 -44.9707  193.483   52.220   21.520   41.524   18.420 10.69609 28.32689 
1 1 1  -38    4   23 f   63.789   15.711  265.896  164.489  117.296  254.589  372.376  215.509   55.399   22.696   72.179   21.730 -16.78023 31.42130 
1 1 1  -38    4   24 o  125.510   8.1784  1004.94  124.246  938.701  151.998  1138.32  215.691  120.015   9.9729  131.005   12.965 -10.98989 16.35683 
1 1 1  -38    4   25 o   50.398   16.687 -120.4933  215.181 -87.3569  473.622 -129.1123  241.551   59.039   27.217   41.756   19.315 17.28288 33.37449 
1 1 1  -38    4   26 o   36.217   17.516 -820.0720  177.222 -304.8666  245.820 -1377.6689  255.733   36.217   17.516  ?   ?       ?      ? 
1 1 1  -38    4   27 o   33.480   11.750 -508.7903  187.838 -606.9104  255.861 -394.0869  276.639   30.634   15.352   36.326   17.792 -5.692133 23.49971 
1 1 1  -38    4   28 o   42.922   14.007 -62.9110  181.787 -193.3788  273.255   40.676  243.483   39.975   19.107   45.869   20.486 -5.893738 28.01318 
1 1 1  -38    4   29 o   50.098   21.395  166.126  240.851   0.0000   0.0000  166.126  240.851  ?   ?    50.098   21.395      ?      ? 
1 1 1  -38    6    1 o  179.421   4.4391  2058.62   99.404  2099.33  129.850  2000.98  154.499  181.623   5.6298  177.219   6.8650 4.403641 8.878205 
1 1 1  -38    6    2 o  200.877   4.2509  2590.14  107.287  2750.48  144.503  2393.19  160.157  207.906   5.4731  193.848   6.5059 14.05832 8.501815 
1 1 1  -38    6    3 o  229.189   4.0133  3354.18  116.341  3504.89  159.904  3184.67  169.586  234.705   5.3649  223.673   5.9703 11.03249 8.026637 
1 1 1  -38    6    4 o   88.051   8.0968  497.140   90.479  510.157  126.901  483.681  129.040   89.242   11.197   86.860   11.698 2.381355 16.19369 
1 1 1  -38    6    5 o  117.143   6.1914  868.304   91.583  752.267  123.665  1009.24  136.289  108.537   8.9720  125.749   8.5345 -17.21250 12.38285 
1 1 1  -38    6    6 o  222.009   4.3258  3140.66  121.807  3200.00  169.070  3076.63  175.641  224.209   5.9380  219.810   6.2922 4.398590 8.651636 
1 1 1  -38    6    7 o  116.955   6.8472  896.191   98.842  997.888  130.432  759.016  151.484  125.054   8.2131  108.856   10.958 16.19808 13.69440 
1 1 1  -38    6    8 o  178.695   5.0370  2038.29  114.125  2110.33  158.928  1961.58  163.984  181.984   6.8769  175.407   7.3617 6.576431 10.07401 
1 1 1  -38    6    9 o  130.299   6.6943  1094.61  109.230  1307.59  154.880  883.851  154.072  143.101   8.5227  117.497   10.326 25.60396 13.38868 
1 1 1  -38    6   10 o  230.237   4.4877  3378.59  129.925  3389.52  172.264  3364.17  197.870  230.722   5.8793  229.751   6.7818 0.9703522 8.975469 
1 1 1  -38    6   11 o   69.251   11.415  327.707   99.062  383.223  135.386  263.736  145.331   75.783   14.597   62.719   17.554 13.06313 22.83013 
1 1 1  -38    6   12 f   93.184   9.0414  559.370  106.980  548.320  150.141  570.766  152.471   92.246   12.817   94.121   12.756 -1.875587 18.08275 
1 1 1  -38    6   13 o  196.375   5.2095  2455.31  129.592  2380.06  176.111  2544.17  191.382  193.127   7.1807  199.622   7.5494 -6.495041 10.41903 
1 1 1  -38    6   14 o   67.032   13.017  304.088  114.550  270.872  160.599  338.487  163.434   63.553   18.668   70.512   18.146 -6.959007 26.03421 
1 1 1  -38    6   15 o   81.908   11.663  453.040  117.101  423.615  164.193  483.500  167.056   79.049   16.870   84.767   16.108 -5.718170 23.32501 
1 1 1  -38    6   16 o   68.377   11.708  264.480  117.170   52.707  152.373  570.877  183.280   43.210   17.614   93.545   15.428 -50.33500 23.41541 
1 1 1  -38    6   17 o  473.036   6.7185 14287.70  403.596 14287.70  403.596   0.0000   0.0000  473.036   6.7185  ?   ?       ?      ? 
1 1 1  -38    6   18 o   41.901   13.478 -126.5953  159.865 -394.3083  284.713  -3.3276  193.196   39.741   19.128   44.061   18.995 -4.320019 26.95673 
1 1 1  -38    6   19 o   71.600   14.196  351.720  134.856  411.493  196.682  298.688  185.260   76.925   19.961   66.275   20.191 10.65070 28.39227 
1 1 1  -38    6   20 o   66.219   13.119  283.533  106.840  253.947  126.715  356.288  198.710   60.898   16.129   71.540   20.695 -10.64185 26.23774 
1 1 1  -38    6   21 o   35.268   11.566 -130.0149  123.011 -37.1930  146.136 -355.6841  227.860   36.167   16.028   34.369   16.679 1.798119 23.13224 
1 1 1  -38    6   22 o   57.747   14.135  191.085  117.016  146.220  138.354  303.827  219.322   49.134   17.544   66.360   22.166 -17.22666 28.26919 
1 1 1  -38    6   23 o   89.753   14.259  569.572  159.720  782.765  243.486  408.546  211.611  104.912   18.974   74.593   21.289 30.31993 28.51748 
1 1 1  -38    6   24 o   92.911   18.757  627.796  218.002  948.168  401.779  494.123  259.527  106.169   28.986   79.652   23.816 26.51669 37.51495 
1 1 1  -38    6   25 o   37.526   18.044 -827.8907  171.647 -278.1340  251.918 -1304.2760  234.506   37.526   18.044  ?   ?       ?      ? 
1 1 1  -38    6   26 o   34.073   11.854 -449.2188  184.263 -711.5812  283.846 -258.1257  242.245   31.536   15.854   36.610   17.626 -5.073507 23.70768 
1 1 1  -38    6   27 o   46.428   14.649   3.9587  178.945  177.124  267.177 -136.9109  240.978   53.586   22.696   39.270   18.527 14.31609 29.29796 
1 1 1  -38    6   28 o   36.553   12.468 -245.8476  174.949 -69.7872  250.809 -412.6912  244.155   41.136   19.247   31.969   15.855 9.167078 24.93636 
1 1 1  -38    8    1 o  265.363   3.9287  4468.59  131.001  4384.10  172.419  4583.96  201.483  262.454   5.1731  268.273   5.9140 -5.818695 7.857308 
1 1 1  -38    8    3 o  110.019   6.7959  773.728   93.445  769.326  121.660  780.062  145.928  109.713   8.7320  110.324   10.416 -0.6107330 13.59171 
1 1 1  -38    8    4 o  202.815   4.4434  2583.21  113.491  2339.18  149.198  2918.32  174.835  191.627   6.1310  214.003   6.4333 -22.37630 8.886811 
1 1 1  -38    8    5 o  144.834   5.8400  1365.26  105.048  1499.81  139.432  1188.63  159.753  153.350   7.1598  136.318   9.2282 17.03137 11.68001 
1 1 1  -38    8    6 o  251.510   5.7567  4028.29  183.867  4028.29  183.867   0.0000   0.0000  251.510   5.7567  ?   ?       ?      ? 
1 1 1  -38    8    7 o  104.969   7.5224  709.217   99.378  726.948  132.967  686.780  149.577  106.538   9.8279  103.400   11.391 3.137703 15.04482 
1 1 1  -38    8    8 o  180.413   5.2504  2057.21  119.491  1913.38  158.256  2247.94  182.242  173.177   7.1960  187.650   7.6475 -14.47319 10.50084 
1 1 1  -38    8    9 o  153.318   6.2433  1503.15  121.342  1494.54  166.497  1512.90  177.212  152.882   8.5757  153.753   9.0759 -0.8715057 12.48661 
1 1 1  -38    8   10 o  215.757   4.8329  2975.03  131.277  3012.93  175.186  2926.49  198.255  217.395   6.3456  214.117   7.2911 3.277985 9.665755 
1 1 1  -38    8   11 o  168.814   5.6725  1838.39  120.425  1995.81  164.215  1655.24  177.130  176.799   7.3140  160.829   8.6726 15.97011 11.34502 
1 1 1  -38    8   12 f  177.283   5.7989  2016.93  129.620  2072.38  174.651  1948.93  193.401  180.090   7.6367  174.475   8.7287 5.614792 11.59776 
1 1 1  -38    8   13 o  148.272   7.8032  1405.55  146.929  1405.55  146.929   0.0000   0.0000  148.272   7.8032  ?   ?       ?      ? 
1 1 1  -38    8   16 o  159.033   6.0497  1590.74  117.482  1514.57  145.663  1732.51  198.723  153.875   7.4542  164.192   9.5306 -10.31656 12.09945 
1 1 1  -38    8   17 o   47.318   12.958   75.164  107.025   20.909  130.270  187.831  187.725   38.066   15.970   56.570   20.410 -18.50440 25.91540 
1 1 1  -38    8   18 o   61.028   13.377  208.461  112.855  120.476  137.086  393.499  198.800   47.032   17.367   75.025   20.350 -27.99320 26.75362 
1 1 1  -38    8   19 o   30.163   10.449 -262.1268  115.536 -233.9359  135.067 -339.0078  223.051   26.024   12.678   34.302   16.613 -8.278114 20.89744 
1 1 1  -38    8   20 o   44.410   12.214   61.801  114.013  182.555  137.096 -209.0060  205.307   52.815   17.520   36.005   17.022 16.80972 24.42760 
1 1 1  -38    8   21 o   47.719   14.145   47.635  147.593 -38.0279  213.600  125.905  204.175   43.505   19.324   51.932   20.661 -8.427105 28.28919 
1 1 1  -38    8   22 o   53.728   16.552   62.644  192.443 -13.0483  385.044   87.848  222.184   57.113   25.616   50.343   20.968 6.770248 33.10330 
1 1 1  -38    8   23 f   44.459   14.539 -103.1479  183.798 -187.6275  326.090 -63.8128  222.511   46.673   21.872   42.245   19.162 4.427681 29.07872 
1 1 1  -38    8   24 o  239.598   7.5470  3577.78  217.296  2283.51  274.645  5743.96  355.308  184.171   11.743  295.026   9.4835 -110.8554 15.09405 
1 1 1  -38    8   25 o   43.132   13.913 -79.3238  173.661   80.368  249.237 -230.0095  242.107   49.096   21.369   37.168   17.824 11.92794 27.82653 
1 1 1  -38    8   26 f   42.781   13.867 -51.3703  175.089   71.054  240.289 -189.9508  255.652   46.914   20.683   38.648   18.475 8.266068 27.73332 
1 1 1  -38    8   27 o   42.161   13.614 -18.7293  167.023 -153.3541  242.521  102.732  230.359   37.772   18.039   46.550   20.395 -8.777927 27.22804 
1 1 1  -38   10    1 o  104.593   7.3907  691.661   97.242  622.357  127.296  788.773  150.687   98.436   10.183  110.750   10.714 -12.31436 14.78132 
1 1 1  -38   10    2 o  198.994   6.1275  2524.76  154.846  2524.76  154.846   0.0000   0.0000  198.994   6.1275  ?   ?       ?      ? 
1 1 1  -38   10    3 o  170.542   5.3020  1839.84  112.024  1778.23  142.397  1939.90  181.464  166.936   6.7170  174.148   8.2053 -7.212494 10.60400 
1 1 1  -38   10    4 f   70.753   11.266  342.845   98.115  368.287  129.493  308.553  150.338   74.157   14.268   67.349   17.440 6.807922 22.53297 
1 1 1  -38   10    5 o   82.072   9.8316  429.409   98.862  373.944  126.265  517.281  158.929   74.845   13.793   89.299   14.014 -14.45434 19.66323 
1 1 1  -38   10    6 o   35.630   11.180 -78.0048   98.214 -140.0509  121.923   36.668  165.751   27.647   13.085   43.613   18.133 -15.96612 22.36090 
1 1 1  -38   10    7 o   85.742   11.420  473.641  124.345  473.641  124.345   0.0000   0.0000   85.742   11.420  ?   ?       ?      ? 
1 1 1  -38   10    8 o   62.946   12.463  252.242  102.224  193.814  129.327  349.529  166.881   54.395   16.922   71.496   18.302 -17.10077 24.92625 
1 1 1  -38   10   10 f  366.103   5.3640  8928.53  238.326 11243.06  325.476  6253.01  349.938  419.853   6.1044  312.353   8.8220 107.4993 10.72809 
1 1 1  -38   10   11 o  271.797   6.5197  5441.75  188.496  8103.58  255.469  2260.98  279.263  356.525   5.6425  187.069   11.755 169.4560 13.03940 
1 1 1  -38   10   12 o   71.836   13.009  343.977  106.902  337.517  122.644  364.409  218.106   70.812   14.133   72.860   21.843 -2.047981 26.01714 
1 1 1  -38   10   13 o  116.239   7.9864  768.500  106.431  649.122  122.722  1130.72  213.771  100.480   9.6176  131.997   12.753 -31.51705 15.97284 
1 1 1  -38   10   14 o   50.736   13.168   87.432  105.458   17.462  123.607  274.606  202.168   36.933   15.529   64.539   21.270 -27.60583 26.33502 
1 1 1  -38   10   15 o   88.767   11.214  556.801  109.279  594.882  129.877  464.480  202.220   95.954   10.658   81.579   19.734 14.37500 22.42860 
1 1 1  -38   10   16 o   62.829   13.742  261.560  114.715  250.956  138.238  285.013  205.581   60.503   17.186   65.154   21.447 -4.650383 27.48343 
1 1 1  -38   10   17 o   50.532   13.023  147.398  113.207  212.806  136.957   6.3067  201.149   56.129   17.406   44.934   19.377 11.19513 26.04654 
1 1 1  -38   10   18 o   52.509   13.273  156.911  107.709  122.173  132.720  223.929  184.343   46.438   17.099   58.581   20.306 -12.14348 26.54599 
1 1 1  -38   10   19 o   68.883   14.770  319.723  151.569  144.607  207.453  520.232  221.985   53.311   20.947   84.454   20.828 -31.14264 29.53950 
1 1 1  -38   10   20 o   86.279   16.053  581.938  172.447  492.901  313.837  620.448  206.398   79.413   26.516   93.144   18.101 -13.73098 32.10506 
1 1 1  -38   10   21 o  127.482   12.332  1212.09  180.161  903.603  284.276  1419.17  232.906  109.585   21.194  145.379   12.615 -35.79472 24.66433 
1 1 1  -38   10   22 o  147.454   12.871  1403.98  194.404  321.943  238.289  3557.55  336.174   64.656   23.031  230.251   11.497 -165.5952 25.74154 
1 1 1  -38   10   23 o   34.078   11.769 -364.2169  171.340 -578.9114  264.703 -209.3950  224.784   31.867   15.917   36.289   17.341 -4.421852 23.53836 
1 1 1  -38   10   24 o   42.263   13.893 -74.9156  178.414 -125.4546  281.747 -41.0828  230.523   42.694   20.109   41.832   19.175 0.8629150 27.78593 
1 1 1  -38   10   25 o   41.433   13.430 -27.7435  163.240 -282.7329  302.632   76.889  193.860   39.141   19.047   43.725   18.938 -4.584080 26.86016 
1 1 1  -38   12    1 o   50.898   12.139  166.560   89.636  192.129  104.022   92.820  176.653   53.383   14.819   48.413   19.231 4.969761 24.27855 
1 1 1  -38   12    2 o  126.354   6.6760  977.205   95.463  922.787  110.662  1135.50  188.737  120.119   7.2545  132.588   11.209 -12.46880 13.35192 
1 1 1  -38   12    3 o   87.679   8.6638  488.054   90.292  470.259  108.997  526.971  161.190   85.473   10.042   89.886   14.121 -4.412941 17.32758 
1 1 1  -38   12    4 o   58.164   11.747  231.955   85.604  245.264   99.791  194.874  166.565   60.286   13.384   56.041   19.309 4.245327 23.49363 
1 1 1  -38   12    5 o  145.162   5.9536  1326.79   94.229  1304.30  107.967  1398.65  193.034  142.977   5.9463  147.346   10.316 -4.369156 11.90721 
1 1 1  -38   12    6 o  153.523   6.1387  1489.36  103.376  1467.29  118.857  1557.89  209.476  151.615   6.1731  155.432   10.612 -3.816177 12.27731 
1 1 1  -38   12    7 o  191.721   5.4196  2350.71  111.807  2348.54  127.824  2357.78  230.689  191.950   5.2438  191.491   9.4864 0.4583435 10.83923 
1 1 1  -38   12    8 o   75.796   11.726  376.527  100.111  365.957  116.250  406.865  196.947   75.119   12.186   76.473   20.038 -1.353577 23.45284 
1 1 1  -38   12    9 o   65.901   11.375  340.555   95.064  415.359  110.374  125.633  187.087   80.183   10.839   51.618   20.001 28.56479 22.74964 
1 1 1  -38   12   10 o   68.249   12.227  277.009   97.270  218.154  113.166  443.474  190.320   56.635   15.351   79.864   19.035 -23.22913 24.45345 
1 1 1  -38   12   11 o   64.243   14.945  254.700  141.515  381.494  224.548  171.158  182.268   73.847   22.169   54.638   20.050 19.20942 29.89099 
1 1 1  -38   12   12 o   43.156   12.402   62.312  105.640  112.597  124.578 -66.4083  199.316   45.123   16.573   41.190   18.455 3.932575 24.80463 
1 1 1  -38   12   13 o  196.803   5.8134  2514.73  128.446  2543.03  150.516  2438.90  246.395  199.457   5.9423  194.150   9.9935 5.306259 11.62673 
1 1 1  -38   12   14 o   37.943   12.170 -71.5428  113.994 -86.6038  134.746 -33.6278  213.793   31.836   14.617   44.051   19.461 -12.21480 24.33902 
1 1 1  -38   12   15 o   43.870   12.452   54.150  116.682  159.094  140.039 -184.1201  211.012   50.383   17.685   37.357   17.535 13.02573 24.90439 
1 1 1  -38   12   16 o   49.265   12.940   5.5385  113.985 -128.7601  134.797  342.551  213.534   29.683   13.959   68.846   21.792 -39.16240 25.87958 
1 1 1  -38   12   17 o   40.496   13.211 -122.7611  158.271 -120.6702  223.829 -124.8520  223.829   40.575   18.707   40.418   18.660 0.1565056 26.42238 
1 1 1  -38   12   18 o   51.686   15.380   97.234  171.555   95.797  237.060   98.814  248.579   51.218   21.518   52.155   21.980 -0.9366302 30.75969 
1 1 1  -38   12   19 o   26.248   13.078 -718.0609  150.795 -404.3052  174.020 -1663.7820  302.125   26.248   13.078  ?   ?       ?      ? 
1 1 1  -38   12   20 o  150.323   12.339  538.081  188.697  1537.02  235.558 -1250.9700  315.240  150.323   12.339  ?   ?       ?      ? 
1 1 1  -38   12   21 o   78.366   17.134  540.611  187.152  532.279  289.026  546.627  245.592   76.629   25.440   80.104   22.959 -3.475418 34.26823 
1 1 1  -38   12   22 o   52.587   15.590  177.071  171.841  184.240  280.534  172.765  217.402   53.968   23.070   51.206   20.975 2.762287 31.17961 
1 1 1  -38   12   23 o   47.274   14.911   90.382  175.675   22.393  318.652  120.070  210.565   47.778   22.130   46.770   19.989 1.008034 29.82162 
1 1 1  -38   14    1 o   54.870   11.372  220.914   90.002  286.333  107.801   70.402  163.515   64.789   13.538   44.952   18.276 19.83762 22.74459 
1 1 1  -38   14    2 f  100.388   8.2216  612.438   95.292  555.158  111.231  770.445  184.739   92.645   9.4542  108.131   13.453 -15.48566 16.44312 
1 1 1  -38   14    3 o  198.927   5.0714  2544.91  114.577  2552.03  134.870  2526.45  217.198  199.898   5.3128  197.955   8.6399 1.943481 10.14272 
1 1 1  -38   14    4 o  137.868   7.2223  1282.23  110.193  1340.86  129.451  1127.98  209.982  144.580   7.0505  131.157   12.607 13.42313 14.44459 
1 1 1  -38   14    5 o  121.166   7.7404  984.739  101.334  1014.16  117.156  897.345  201.913  125.680   7.3405  116.652   13.630 9.027763 15.48087 
1 1 1  -38   14    6 o   35.771   11.396 -99.1754   97.777 -155.0659  114.615   50.233  187.396   25.602   12.274   45.939   19.205 -20.33695 22.79233 
1 1 1  -38   14    7 f   70.959   12.111  324.599   97.082  293.949  112.105  416.517  194.138   65.540   13.900   76.378   19.838 -10.83832 24.22288 
1 1 1  -38   14    8 o   36.866   11.302 -17.4180  102.072   66.992  119.412 -246.3940  196.674   40.074   15.845   33.658   16.121 6.415699 22.60416 
1 1 1  -38   14    9 o   56.714   12.194  236.191  101.876  304.840  121.037   69.390  188.671   66.404   14.738   47.025   19.432 19.37944 24.38838 
1 1 1  -38   14   10 f   59.652   13.572  224.757  107.286  191.902  125.984  311.461  204.660   53.078   16.732   66.226   21.374 -13.14772 27.14440 
1 1 1  -38   14   11 o   49.019   12.581  146.181  107.722  216.236  125.335 -51.8660  210.733   55.696   16.527   42.341   18.973 13.35525 25.16222 
1 1 1  -38   14   12 o   59.024   13.559  239.580  111.538  231.815  135.714  255.740  195.786   57.341   17.240   60.707   20.933 -3.365555 27.11823 
1 1 1  -38   14   13 o   49.007   12.859  147.288  105.674  177.173  128.606   85.171  185.415   51.031   16.971   46.983   19.323 4.048092 25.71742 
1 1 1  -38   14   14 o   30.634   15.155 -435.9735  217.967   0.0000   0.0000 -435.9735  217.967  ?   ?    30.634   15.155      ?      ? 
1 1 1  -38   14   15 o   53.760   15.376  160.874  156.912  175.928  190.134  128.726  277.849   52.868   20.248   54.652   23.146 -1.784485 30.75265 
1 1 1  -38   14   16 o  351.250   6.7869  8156.46  298.288 10040.14  433.192  6458.00  411.343  391.039   8.7233  311.462   10.400 79.57681 13.57389 
1 1 1  -38   14   17 o   44.253   13.898 -61.5659  168.246 -285.6558  237.895  162.679  237.977   35.438   17.161   53.068   21.866 -17.62999 27.79595 
1 1 1  -38   14   18 o   54.723   15.614  203.956  170.286  125.845  256.366  265.630  227.799   51.115   21.957   58.332   22.205 -7.216934 31.22790 
1 1 1  -38   14   19 o   47.549   14.763   79.652  171.511  137.448  251.589   29.472  234.426   50.488   21.721   44.610   19.999 5.877941 29.52589 
1 1 1  -38   14   20 o   38.302   12.806 -123.0750  165.954 -242.2428  260.959 -42.1567  215.039   37.003   17.933   39.601   18.285 -2.597263 25.61102 
1 1 1  -38   16    1 o   19.949   10.094 -415.6053  126.146 -415.6053  126.146   0.0000   0.0000   19.949   10.094  ?   ?       ?      ? 
1 1 1  -38   16    2 o   31.500   14.318 -54.2111  125.069 -54.2111  125.069   0.0000   0.0000   31.500   14.318  ?   ?       ?      ? 
1 1 1  -38   16    3 o   28.758   13.539 -116.8223  127.467 -116.8223  127.467   0.0000   0.0000   28.758   13.539  ?   ?       ?      ? 
1 1 1  -38   16    4 o   81.556   12.417  447.869  128.598  447.869  128.598   0.0000   0.0000   81.556   12.417  ?   ?       ?      ? 
1 1 1  -38   16    5 o   46.760   17.184  137.143  133.957  137.143  133.957   0.0000   0.0000   46.760   17.184  ?   ?       ?      ? 
1 1 1  -38   16    6 o   42.963   17.234   85.992  143.267   85.992  143.267   0.0000   0.0000   42.963   17.234  ?   ?       ?      ? 
1 1 1  -38   16    7 o   28.780   10.419 -480.2459  128.985 -490.5284  144.945 -441.1171  282.750   21.080   10.684   36.480   17.892 -15.39949 20.83892 
1 1 1  -38   16    8 o   83.492   11.905   23.940  142.624 -261.7440  156.354  1439.56  348.048   27.498   13.448  139.486   19.649 -111.9879 23.81006 
1 1 1  -38   16    9 o  249.249   7.0500  4150.53  180.225  4175.65  203.016  4057.10  391.496  254.218   6.2885  244.280   12.620 9.937820 14.10001 
1 1 1  -38   16   10 o  ?   ?  -1307.4470  298.527   0.0000   0.0000 -1307.4470  298.527  ?   ?   ?   ?       ?      ? 
1 1 1  -38   16   11 o   40.295   12.779 -33.9911  107.008 -71.9874  119.262  122.932  242.367   29.412   13.593   51.177   21.643 -21.76525 25.55777 
1 1 1  -38   16   12 f   60.280   15.088  289.389  153.434  380.192  195.572  144.034  247.442   68.481   20.719   52.079   21.938 16.40178 30.17529 
1 1 1  -38   16   13 o   78.570   14.531  499.234  147.967  399.352  200.288  619.250  219.550   69.386   20.962   87.755   20.129 -18.36841 29.06147 
1 1 1  -38   16   14 o   62.112   13.714  269.478  144.283   12.964  197.140  565.382  211.736   41.377   18.460   82.847   20.287 -41.47052 27.42862 
1 1 1  -38   16   15 o   76.915   15.624  521.718  158.377  543.491  255.142  508.069  202.007   76.231   23.777   77.598   20.275 -1.366890 31.24769 
1 1 1  -38   16   16 o   39.459   12.974 -72.6406  151.197   53.286  246.417 -148.6756  191.478   45.241   20.375   33.676   16.068 11.56491 25.94838 
1 1 1  -38   18    1 o  149.406   8.7942  1498.79  166.857  1498.79  166.857   0.0000   0.0000  149.406   8.7942  ?   ?       ?      ? 
1 1 1  -38   18    2 o   61.349   18.601  311.203  157.513  311.203  157.513   0.0000   0.0000   61.349   18.601  ?   ?       ?      ? 
1 1 1  -38   18    3 o   45.044   17.963  131.140  154.681  131.140  154.681   0.0000   0.0000   45.044   17.963  ?   ?       ?      ? 
1 1 1  -38   18    4 f   46.266   18.251  144.935  158.094  144.935  158.094   0.0000   0.0000   46.266   18.251  ?   ?       ?      ? 
1 1 1  -38   18    5 o   29.529   14.180 -160.6369  154.383 -160.6369  154.383   0.0000   0.0000   29.529   14.180  ?   ?       ?      ? 
1 1 1  -38   18    6 f   35.388   16.152 -33.8035  161.265 -33.8035  161.265   0.0000   0.0000   35.388   16.152  ?   ?       ?      ? 
1 1 1  -38   18    7 o   42.956   17.783  102.817  158.428  102.817  158.428   0.0000   0.0000   42.956   17.783  ?   ?       ?      ? 
1 1 1  -38   18    8 o   74.053   18.468  453.756  173.090  453.756  173.090   0.0000   0.0000   74.053   18.468  ?   ?       ?      ? 
1 1 1  -37    1    1 f  176.975   4.3818  1992.38   98.271  2170.17  140.633  1822.73  137.376  184.701   5.9957  169.250   6.3915 15.45085 8.763577 
1 1 1  -37    1    2 o  352.495   3.7859  7894.60  169.345  7743.77  234.125  8060.10  245.240  348.974   5.2830  356.016   5.4243 -7.042542 7.571845 
1 1 1  -37    1    3 o  204.046   4.1622  2663.08  107.196  2946.44  149.837  2366.00  153.422  215.251   5.4815  192.842   6.2648 22.40880 8.324340 
1 1 1  -37    1    4 o  145.741   5.2549  1353.75   97.143  1385.51  135.158  1319.81  139.717  147.522   7.2145  143.959   7.6424 3.563049 10.50979 
1 1 1  -37    1    5 o  163.454   4.7711  1699.56   98.853  1561.90  137.973  1844.75  141.699  156.646   6.9358  170.262   6.5535 -13.61612 9.542190 
1 1 1  -37    1    6 o  113.006   6.4855  817.340   92.719  862.981  128.152  767.204  134.314  116.355   8.6729  109.658   9.6451 6.696823 12.97099 
1 1 1  -37    1    7 o   39.292   11.007   28.206   88.019 -66.3856  125.462  119.886  123.516   32.069   14.482   46.514   16.580 -14.44498 22.01422 
1 1 1  -37    1    8 o  217.974   4.2420  3023.19  117.402  3082.35  165.804  2963.71  166.259  220.118   5.9315  215.830   6.0659 4.287460 8.483966 
1 1 1  -37    1    9 o  419.962   4.1919 11217.14  223.522 11038.46  312.492 11404.34  319.851  416.541   5.9075  423.382   5.9489 -6.841187 8.383797 
1 1 1  -37    1   10 o  169.520   5.0472  1832.47  108.463  1710.64  153.622  1953.56  153.160  163.877   7.3817  175.163   6.8853 -11.28568 10.09442 
1 1 1  -37    1   11 o  126.126   6.4248  1006.71  102.474  908.724  137.895  1127.56  153.142  119.328   9.0997  132.924   9.0723 -13.59610 12.84955 
1 1 1  -37    1   12 o   67.359   11.525  301.455   98.002  244.596  133.709  367.459  144.061   60.602   16.793   74.116   15.789 -13.51448 23.05038 
1 1 1  -37    1   13 o   92.981   9.6829  584.356  106.566  745.265  147.282  407.559  154.382  107.914   10.747   78.048   16.110 29.86537 19.36583 
1 1 1  -37    1   14 o  148.493   6.2989  1408.53  118.671  1416.49  164.583  1399.92  171.268  148.949   8.7010  148.036   9.1103 0.9131775 12.59777 
1 1 1  -37    1   15 o  128.414   7.4246  1062.27  120.324  1169.95  167.696  948.008  172.743  135.235   9.7646  121.593   11.187 13.64213 14.84915 
1 1 1  -37    1   16 o  134.555   7.3889  1174.04  124.338  1389.69  174.437  951.320  177.277  147.392   9.3193  121.718   11.469 25.67403 14.77783 
1 1 1  -37    1   17 o  148.442   7.1842  1409.18  135.172  1537.36  196.227  1293.44  186.469  154.875   9.9770  142.009   10.340 12.86536 14.36845 
1 1 1  -37    1   18 o   36.036   11.635 -126.2069  122.142 -234.8809  178.112 -29.7323  167.817   32.247   15.417   39.826   17.429 -7.578842 23.26906 
1 1 1  -37    1   19 f  102.164   8.8923  675.156  114.086  810.691  164.814  550.467  158.082  112.156   11.572   92.173   13.505 19.98333 17.78459 
1 1 1  -37    1   21 o   40.606   12.929 -94.3413  142.009 -166.4463  202.439 -24.4837  199.260   37.620   17.499   43.593   19.037 -5.972435 25.85732 
1 1 1  -37    1   22 o   98.053   13.617  656.943  165.726  792.549  236.827  526.816  231.993  109.439   17.041   86.668   21.243 22.77089 27.23332 
1 1 1  -37    1   23 o   66.133   16.546  278.919  173.591  263.089  241.009  295.984  250.240   64.748   23.152   67.519   23.644 -2.770584 33.09156 
1 1 1  -37    1   24 o   45.606   14.386 -75.3791  172.271   25.346  243.173 -176.8601  244.084   49.808   21.390   41.404   19.244 8.404629 28.77224 
1 1 1  -37    1   25 o   39.714   13.173 -195.6502  167.961 -196.1469  239.708 -195.1711  235.416   39.920   18.722   39.509   18.537 0.4108810 26.34663 
1 1 1  -37    1   26 o   42.770   13.978 -174.8813  185.369  -7.8069  251.350 -374.1165  274.477   47.654   21.074   37.886   18.368 9.768311 27.95527 
1 1 1  -37    1   27 o   30.738   10.708 -390.1428  148.737 -323.3464  208.480 -459.3844  212.262   32.055   15.645   29.420   14.623 2.634653 21.41507 
1 1 1  -37    1   28 o   31.761   11.377 -838.4423  213.351 -801.8164  341.118 -861.9755  273.433   34.779   17.471   28.743   14.579 6.036528 22.75438 
1 1 1  -37    3    1 o   75.807   8.5896  366.012   82.404  347.142  111.055  389.129  122.920   73.657   11.873   77.957   12.416 -4.299408 17.17917 
1 1 1  -37    3    2 o  285.169   3.6839  5167.03  133.251  5091.16  183.441  5251.77  193.882  282.963   5.1049  287.375   5.3126 -4.412018 7.367786 
1 1 1  -37    3    3 o  348.604   3.9069  7730.16  172.905  7783.17  242.040  7674.91  247.088  349.832   5.4482  347.375   5.6011 2.457275 7.813776 
1 1 1  -37    3    4 o  181.715   4.2776  2096.73   98.325  2057.27  132.739  2144.72  146.362  179.837   5.8122  183.592   6.2776 -3.754852 8.555135 
1 1 1  -37    3    5 o   61.522   11.288  251.891   89.303  287.456  128.122  218.285  124.541   65.563   15.612   57.482   16.307 8.080288 22.57561 
1 1 1  -37    3    6 o  174.909   4.7829  1946.06  106.161  1914.33  146.890  1980.75  153.605  173.424   6.6697  176.395   6.8571 -2.970581 9.565833 
1 1 1  -37    3    7 o   89.172   7.9252  503.216   88.960  418.135  119.887  607.461  132.704   80.844   11.677   97.500   10.718 -16.65623 15.85035 
1 1 1  -37    3    8 o  113.262   6.9496  819.649   99.124  963.508  142.887  686.187  137.627  122.891   9.1558  103.633   10.457 19.25755 13.89916 
1 1 1  -37    3    9 o  119.854   6.3383  915.549   96.421  944.946  139.158  888.403  133.723  121.700   9.0041  118.008   8.9231 3.692223 12.67661 
1 1 1  -37    3   10 o  139.897   5.8325  1249.56  103.431  1280.35  143.128  1215.91  149.636  141.724   7.9525  138.070   8.5341 3.653275 11.66503 
1 1 1  -37    3   11 o  163.761   5.3769  1721.42  111.015  1878.10  153.195  1548.14  161.102  171.709   7.0254  155.813   8.1418 15.89633 10.75383 
1 1 1  -37    3   12 o   69.640   10.701  325.562   95.791  469.721  135.604  181.976  135.335   85.558   12.481   53.721   17.386 31.83714 21.40145 
1 1 1  -37    3   13 o  115.535   7.0594  852.638  103.028  738.537  142.666  977.000  148.944  107.426   10.458  123.644   9.4858 -16.21757 14.11885 
1 1 1  -37    3   14 o  112.298   7.7685  809.569  110.572  759.420  157.418  858.409  155.349  108.820   11.391  115.775   10.566 -6.954987 15.53706 
1 1 1  -37    3   15 o   61.745   12.744  254.055  106.358  233.192  154.062  273.051  147.011   59.727   18.451   63.763   17.585 -4.036869 25.48889 
1 1 1  -37    3   16 o   34.727   11.264 -111.8224  113.370 -156.9588  166.575 -72.8725  154.739   33.611   15.713   35.843   16.144 -2.232395 22.52839 
1 1 1  -37    3   17 o  101.102   9.5331  658.310  122.011  691.385  181.393  630.982  164.885  103.367   13.819   98.838   13.137 4.529457 19.06621 
1 1 1  -37    3   18 o  195.461   5.6814  2443.05  140.890  2584.25  200.526  2305.39  197.996  201.070   7.8532  189.852   8.2123 11.21706 11.36283 
1 1 1  -37    3   19 o   27.422   9.6022 -409.6491  125.499 -498.2367  181.214 -327.9996  173.973   25.965   12.999   28.879   14.137 -2.914139 19.20435 
1 1 1  -37    3   21 o   74.543   13.860  342.927  151.578  670.852  227.682   81.889  203.139   98.981   18.801   50.105   20.371 48.87619 27.72098 
1 1 1  -37    3   22 o  103.455   11.594  703.511  151.874  773.193  224.845  645.043  205.959  108.144   16.372   98.765   16.421 9.379478 23.18821 
1 1 1  -37    3   23 o   54.937   15.274  114.647  154.043  245.042  252.544   37.387  194.394   63.765   23.567   46.109   19.435 17.65605 30.54718 
1 1 1  -37    3   24 o   59.006   14.828  157.438  169.561 -178.9652  259.269  408.859  224.141   42.713   19.846   75.298   22.036 -32.58528 29.65555 
1 1 1  -37    3   25 o   51.447   13.765   89.624  121.194  -3.2871  145.585  299.353  218.732   37.701   16.371   65.192   22.135 -27.49103 27.53059 
1 1 1  -37    3   26 o   43.883   13.906 -108.9783  172.242 -344.6968  250.792  101.470  236.968   36.151   17.534   51.616   21.589 -15.46500 27.81227 
1 1 1  -37    3   27 o  200.230   11.892  798.841  228.906 -1753.4969  350.315  2700.62  302.392  ?   ?   200.230   11.892      ?      ? 
1 1 1  -37    3   28 f   55.034   15.353  155.449  177.879 -92.3795  256.534  384.942  246.863   42.588   19.772   67.480   23.492 -24.89186 30.70536 
1 1 1  -37    3   29 o   46.445   14.670   32.709  181.876 -103.5302  263.529  156.623  251.327   41.601   19.549   51.288   21.877 -9.686428 29.33908 
1 1 1  -37    5    1 o  231.160   3.8341  3400.18  112.222  3414.43  153.142  3383.65  164.924  231.699   5.2047  230.620   5.6313 1.079330 7.668130 
1 1 1  -37    5    2 o  155.322   5.0792  1563.51   97.660  1679.59  127.687  1399.89  151.592  162.452   6.1893  148.191   8.0552 14.26108 10.15844 
1 1 1  -37    5    3 o   87.360   8.0827  490.914   89.193  532.228  123.833  446.375  128.575   91.242   10.687   83.478   12.129 7.764137 16.16536 
1 1 1  -37    5    4 o  194.706   4.2635  2422.06  104.927  2541.40  143.938  2286.73  153.280  199.868   5.6709  189.543   6.3680 10.32576 8.527031 
1 1 1  -37    5    5 o  236.105   4.0657  3547.78  121.804  3575.65  169.246  3517.84  175.433  237.077   5.6215  235.133   5.8752 1.945007 8.131358 
1 1 1  -37    5    6 o   94.963   7.6233  578.541   90.934  474.183  126.795  689.065  130.486   86.063   11.601  103.863   9.8930 -17.79941 15.24667 
1 1 1  -37    5    7 o  236.398   4.1783  3544.36  124.036  3479.61  162.969  3633.52  191.229  233.875   5.4871  238.920   6.3026 -5.044708 8.356521 
1 1 1  -37    5    8 o  179.355   4.7142  2041.79  107.134  1955.10  145.709  2143.81  158.065  175.233   6.5478  183.477   6.7839 -8.243896 9.428390 
1 1 1  -37    5    9 o  114.480   6.7410  845.632   96.996  936.704  133.278  743.078  141.430  121.159   8.6621  107.800   10.331 13.35856 13.48194 
1 1 1  -37    5   10 o   74.916   10.615  370.812   97.247  320.853  131.423  431.265  144.570   69.210   15.355   80.621   14.661 -11.41152 21.22953 
1 1 1  -37    5   11 o  126.970   6.6381  1026.09  106.824  961.110  145.747  1101.51  157.025  122.646   9.3577  131.294   9.4177 -8.647400 13.27629 
1 1 1  -37    5   12 o  254.761   4.3541  4114.89  140.074  3972.95  187.058  4296.09  211.349  249.812   5.8964  259.711   6.4081 -9.899078 8.708135 
1 1 1  -37    5   13 o  182.862   5.3470  2134.05  124.008  2269.89  176.056  2000.31  174.700  188.663   7.3483  177.061   7.7695 11.60207 10.69405 
1 1 1  -37    5   14 o   65.733   12.631  287.369  108.954  352.245  160.223  231.562  148.602   72.118   17.640   59.347   18.084 12.77109 25.26271 
1 1 1  -37    5   15 o  147.687   6.5535  1415.18  121.147  1625.12  167.380  1184.18  175.568  159.470   8.2651  135.904   10.173 23.56599 13.10708 
1 1 1  -37    5   16 o   43.691   12.738   43.905  114.181   29.637  169.090   55.865  154.807   43.585   18.234   43.798   17.792 -0.2131042 25.47653 
1 1 1  -37    5   17 o   98.420   10.190  620.868  120.992  856.822  186.495  449.374  158.993  115.142   12.754   81.698   15.897 33.44379 20.38074 
1 1 1  -37    5   18 o   34.904   11.423 -149.6048  122.110 -239.1443  175.612 -65.7869  169.909   31.725   15.205   38.082   17.053 -6.357128 22.84693 
1 1 1  -37    5   19 o  237.268   11.562  3635.86  348.384  3635.86  348.384   0.0000   0.0000  237.268   11.562  ?   ?       ?      ? 
1 1 1  -37    5   20 o   42.066   13.084 -35.3759  134.984 -52.6712  200.619 -21.0695  182.462   42.289   18.759   41.843   18.246 0.4466095 26.16881 
1 1 1  -37    5   21 o   42.777   13.539 -110.7431  153.499   33.312  232.473 -222.0951  204.389   49.804   21.137   35.750   16.926 14.05423 27.07860 
1 1 1  -37    5   22 o   63.129   13.690  177.618  117.760   63.953  136.630  505.979  232.226   41.957   16.830   84.300   21.596 -42.34328 27.37951 
1 1 1  -37    5   23 o  109.670   10.574  840.106  126.094  884.285  149.944  733.408  233.021  116.771   10.111  102.569   18.573 14.20194 21.14740 
1 1 1  -37    5   24 o   62.428   14.109  250.153  115.963  215.470  136.015  342.459  221.894   55.875   17.349   68.980   22.255 -13.10585 28.21850 
1 1 1  -37    5   25 o   56.259   17.273 -434.4217  220.460  583.323  449.008 -757.7131  253.065   83.651   31.323   28.867   14.570 54.78415 34.54636 
1 1 1  -37    5   26 o   41.020   19.587 -664.0715  194.370 -260.2499  285.641 -1012.3030  265.253   41.020   19.587  ?   ?       ?      ? 
1 1 1  -37    5   27 o   39.672   13.458 -249.5570  193.431 -242.4444  293.550 -255.0153  257.155   41.324   19.766   38.021   18.269 3.302933 26.91572 
1 1 1  -37    5   28 o   44.264   14.271 -18.0026  178.361   35.027  249.531 -73.4007  255.042   46.135   20.662   42.392   19.692 3.743488 28.54294 
1 1 1  -37    5   29 o   39.793   13.139 -91.1063  165.261   39.194  241.573 -205.7313  226.577   44.457   20.083   35.129   16.947 9.328449 26.27821 
1 1 1  -37    7    1 f  100.084   6.9295  633.861   87.546  582.498  116.285  701.062  133.010   95.466   9.5918  104.702   10.004 -9.235985 13.85906 
1 1 1  -37    7    2 o  238.215   4.0127  3597.53  119.680  3531.03  155.986  3692.68  186.606  235.592   5.2137  240.839   6.1013 -5.247070 8.025490 
1 1 1  -37    7    3 o  179.391   4.5841  2052.11  103.147  2067.01  135.921  2031.87  158.386  180.202   5.9395  178.580   6.9840 1.622360 9.168107 
1 1 1  -37    7    4 o  137.752   6.5324  1217.96  113.160  1166.11  170.333  1258.93  151.399  135.051   9.9317  140.453   8.4882 -5.401947 13.06476 
1 1 1  -37    7    5 o  320.561   4.0616  6534.56  164.084  6496.18  218.663  6584.02  248.240  319.529   5.3887  321.593   6.0784 -2.063507 8.123134 
1 1 1  -37    7    6 o  153.308   5.3097  1490.17  102.083  1448.49  133.357  1549.16  158.650  150.776   6.9648  155.840   8.0165 -5.063828 10.61940 
1 1 1  -37    7    7 o   79.238   9.8706  412.714   96.598  463.663  136.291  361.284  136.932   84.960   12.632   73.515   15.171 11.44533 19.74118 
1 1 1  -37    7    8 o  182.635   4.8967  2130.73  113.045  2185.69  153.848  2066.23  166.658  185.236   6.5401  180.033   7.2895 5.202911 9.793346 
1 1 1  -37    7    9 o  142.326   5.9288  1273.42  106.083  1160.94  138.563  1432.72  164.898  134.875   8.0898  149.777   8.6695 -14.90208 11.85767 
1 1 1  -37    7   10 o   77.072   10.542  392.415  100.456  609.068  148.768  210.837  136.195   97.372   12.031   56.772   17.316 40.59937 21.08485 
1 1 1  -37    7   11 o   95.007   8.8598  584.686  105.972  502.081  150.909  665.048  148.846   88.245   13.466  101.769   11.517 -13.52435 17.71955 
1 1 1  -37    7   12 o  223.778   4.7449  3194.92  134.153  3216.31  181.158  3168.94  199.626  224.655   6.3499  222.900   7.0523 1.754761 9.489748 
1 1 1  -37    7   13 o   51.584   13.181  148.492  110.797  147.265  156.541  149.724  156.841   51.464   18.627   51.704   18.656 -0.2403030 26.36280 
1 1 1  -37    7   14 o  158.843   6.1909  1629.43  123.651  1840.52  171.962  1403.44  177.930  169.698   7.9795  147.988   9.4677 21.70975 12.38183 
1 1 1  -37    7   15 f   87.073   11.102  519.077  116.951  648.097  160.743  373.964  170.473  100.158   12.638   73.988   18.256 26.17045 22.20315 
1 1 1  -37    7   16 o   28.208   9.7217 -300.0780  114.945 -194.6513  151.268 -444.1269  176.818   29.917   14.276   26.499   13.200 3.417944 19.44343 
1 1 1  -37    7   17 o  337.992   6.6698  7293.92  286.282   0.0000   0.0000  7293.92  286.282  ?   ?   337.992   6.6698      ?      ? 
1 1 1  -37    7   18 o   53.134   13.598  124.207  110.523   66.763  130.495  269.985  207.882   41.772   16.549   64.495   21.580 -22.72313 27.19518 
1 1 1  -37    7   19 o   47.618   12.949   37.529  106.452 -42.2314  125.168  246.026  202.372   33.113   14.746   62.122   21.290 -29.00945 25.89759 
1 1 1  -37    7   20 o   45.726   13.371   47.046  112.431   26.598  130.312  106.600  222.387   38.403   16.032   53.049   21.404 -14.64611 26.74236 
1 1 1  -37    7   21 o   44.385   13.199   44.342  116.727   54.427  137.553   18.394  220.641   41.239   16.764   47.531   20.392 -6.292698 26.39863 
1 1 1  -37    7   22 o   43.661   13.025   27.074  114.169   0.1441  136.199   90.715  209.376   37.000   15.950   50.322   20.595 -13.32166 26.04929 
1 1 1  -37    7   23 o   94.798   16.229  791.300  198.783  296.254  401.834  951.700  228.731   70.793   28.699  118.803   15.161 -48.01009 32.45714 
1 1 1  -37    7   24 o   61.915   17.072  250.120  187.338   21.585  406.665  311.684  211.068   58.690   26.324   65.140   21.745 -6.450447 34.14399 
1 1 1  -37    7   25 o   29.325   10.405 -593.9316  162.642 -738.6102  221.783 -425.5998  239.227   25.864   13.120   32.786   16.154 -6.921713 20.81075 
1 1 1  -37    7   26 o   41.238   13.384 -87.1542  163.627 -217.2927  242.323   21.912  221.838   37.709   18.015   44.768   19.798 -7.059036 26.76797 
1 1 1  -37    7   27 o   56.733   15.421  207.788  173.361 -11.2778  243.076  434.566  247.317   43.813   19.932   69.653   23.537 -25.83996 30.84296 
1 1 1  -37    7   28 o   48.756   14.982  130.075  171.505  166.996  258.833  101.178  228.989   50.918   21.969   46.594   20.376 4.324303 29.96328 
1 1 1  -37    9    1 o   96.377   7.3544  586.700   88.864  543.734  115.219  649.784  139.611   92.135   9.8474  100.619   10.926 -8.484131 14.70880 
1 1 1  -37    9    2 o  137.350   5.5532  1198.73   95.044  1175.64  122.536  1233.60  150.583  135.766   7.1071  138.934   8.5347 -3.168808 11.10641 
1 1 1  -37    9    3 o  160.117   4.9384  1644.17   99.128  1698.40  131.409  1572.56  150.999  163.259   6.3383  156.976   7.5747 6.283508 9.876713 
1 1 1  -37    9    4 o   99.132   7.9462  623.849   99.464  550.858  133.013  716.432  149.805   92.621   11.309  105.643   11.166 -13.02129 15.89244 
1 1 1  -37    9    5 o  137.253   6.0658  1198.64  105.276  1052.25  144.169  1365.88  154.091  128.286   8.8494  146.220   8.2984 -17.93428 12.13156 
1 1 1  -37    9    6 o  109.094   7.5102  763.294  103.741  762.147  141.357  764.633  152.725  109.047   10.208  109.141   11.019 -0.9378815E-01 15.02048 
1 1 1  -37    9    7 o  152.103   6.1124  1494.25  114.727  1547.99  147.424  1411.72  182.685  155.740   7.4540  148.467   9.6894 7.273514 12.22482 
1 1 1  -37    9    8 o  177.578   5.3814  2007.72  120.082  1975.79  158.171  2051.18  184.495  175.981   7.0775  179.174   8.1083 -3.193512 10.76273 
1 1 1  -37    9    9 o   92.035   9.1071  544.942  106.264  505.897  146.021  588.898  154.934   88.529   12.988   95.542   12.770 -7.012733 18.21423 
1 1 1  -37    9   10 o  201.599   5.1545  2580.76  131.135  2478.33  174.496  2713.67  198.772  197.074   6.9723  206.124   7.5936 -9.049744 10.30906 
1 1 1  -37    9   11 o  146.859   6.4310  1379.76  119.777  1349.49  164.491  1413.93  174.756  145.171   8.9225  148.547   9.2638 -3.376648 12.86192 
1 1 1  -37    9   12 o   28.725   9.9221 -260.2529  108.729 -242.5526  132.131 -297.3775  191.358   25.459   12.432   31.990   15.467 -6.530174 19.84425 
1 1 1  -37    9   13 o  116.984   8.7739  763.384  120.882  562.045  142.506  1279.94  228.260   93.308   12.026  140.660   12.779 -47.35189 17.54776 
1 1 1  -37    9   14 o  334.241   5.2229  6416.45  195.937  5702.97  223.969  8743.53  404.485  299.063   5.8972  369.419   8.6219 -70.35654 10.44582 
1 1 1  -37    9   15 f  128.628   7.7503  1040.42  113.104  1009.13  132.041  1126.65  219.191  125.509   8.2843  131.746   13.101 -6.237076 15.50060 
1 1 1  -37    9   16 f  114.057   8.0534  817.411  109.234  777.109  131.554  906.889  196.021  109.967   9.4203  118.147   13.065 -8.179474 16.10688 
1 1 1  -37    9   17 o   31.474   10.435 -153.3251  107.258 -51.7798  128.670 -384.5791  194.175   33.053   14.818   29.896   14.696 3.156803 20.86916 
1 1 1  -37    9   18 o  112.660   8.9885  877.688  119.098  1005.18  150.558  664.522  194.679  124.907   9.4917  100.413   15.267 24.49368 17.97698 
1 1 1  -37    9   19 o   75.314   12.537  344.906  118.383  199.932  145.558  628.169  203.463   55.092   18.042   95.536   17.412 -40.44387 25.07385 
1 1 1  -37    9   20 o   56.480   13.815  210.411  120.279  250.152  144.887  122.299  215.735   60.086   17.755   52.873   21.170 7.212944 27.62981 
1 1 1  -37    9   21 o  106.627   11.334  756.987  152.195  880.890  233.781  665.846  200.504  114.027   16.144   99.226   15.912 14.80135 22.66779 
1 1 1  -37    9   22 o   76.912   17.103  439.945  171.964  472.999  340.778  428.653  199.184   77.782   27.560   76.041   20.261 1.741608 34.20639 
1 1 1  -37    9   23 o   46.914   14.075  -8.6769  162.630 -257.3014  238.467  207.502  222.364   37.002   17.730   56.825   21.865 -19.82286 28.14998 
1 1 1  -37    9   24 o  163.211   13.397  2285.40  202.553  4159.90  289.147  479.189  283.832  251.296   9.0606   75.126   25.216 176.1694 26.79411 
1 1 1  -37    9   25 o   46.510   14.579  -7.4635  178.641  178.608  256.812 -181.9045  248.657   54.082   22.535   38.938   18.503 15.14458 29.15815 
1 1 1  -37    9   26 o   47.425   14.291   94.230  157.588 -33.6071  225.907  215.401  219.939   41.277   18.943   53.573   21.402 -12.29588 28.58110 
1 1 1  -37    9   27 o   41.256   13.675 -72.8894  177.768 -158.2748  234.251   43.056  272.971   36.787   17.612   45.724   20.925 -8.936859 27.35013 
1 1 1  -37   11    1 o  107.258   9.9930  738.859  136.115  738.859  136.115   0.0000   0.0000  107.258   9.9930  ?   ?       ?      ? 
1 1 1  -37   11    2 o  244.942   5.6960  3823.64  177.177  3823.64  177.177   0.0000   0.0000  244.942   5.6960  ?   ?       ?      ? 
1 1 1  -37   11    3 o   99.390   7.8119  629.317   98.055  572.589  130.610  702.584  148.434   94.328   10.903  104.452   11.190 -10.12346 15.62379 
1 1 1  -37   11    4 o  137.043   6.1493  1194.95  105.924  1151.10  139.067  1255.55  163.475  134.137   8.1639  139.949   9.1982 -5.812180 12.29859 
1 1 1  -37   11    5 o  113.949   8.0218  788.944  107.503  718.512  127.298  964.067  200.728  105.837   9.4712  122.061   12.950 -16.22349 16.04354 
1 1 1  -37   11    6 o   33.622   10.733 -193.2721   82.960 -271.2158   93.592   92.522  179.215   18.397   9.2289   48.846   19.381 -30.44911 21.46582 
1 1 1  -37   11    7 o  122.602   7.0154  916.437   94.427  871.530  107.807  1064.42  195.701  116.799   7.2682  128.404   12.002 -11.60544 14.03081 
1 1 1  -37   11    8 o  131.454   8.6117  1236.31  118.413  1357.26  137.894  896.660  231.078  145.728   7.4512  117.181   15.528 28.54687 17.22348 
1 1 1  -37   11    9 o  379.767   8.6525  9241.37  417.287   0.0000   0.0000  9241.37  417.287  ?   ?   379.767   8.6525      ?      ? 
1 1 1  -37   11   10 o   58.788   22.893  162.377  246.047   0.0000   0.0000  162.377  246.047  ?   ?    58.788   22.893      ?      ? 
1 1 1  -37   11   11 o   29.090   10.187 -327.2617  105.924 -380.7574  123.516 -178.5561  205.933   20.588   10.365   37.592   17.540 -17.00352 20.37323 
1 1 1  -37   11   12 o  201.987   5.8229  2567.14  144.562  2436.38  180.797  2798.92  240.715  195.183   7.2941  208.792   9.0785 -13.60895 11.64570 
1 1 1  -37   11   13 o   45.753   11.845  104.390  100.919  193.106  117.632 -142.9927  196.430   53.752   16.025   37.754   17.448 15.99837 23.69028 
1 1 1  -37   11   14 o   63.576   13.771  267.765  114.417  263.027  135.840  279.334  212.271   61.997   16.824   65.156   21.807 -3.158890 27.54247 
1 1 1  -37   11   15 o   89.264   11.482  501.922  116.057  455.293  136.220  625.396  221.665   83.547   12.839   94.981   19.040 -11.43402 22.96464 
1 1 1  -37   11   16 o   60.946   14.058  237.693  116.874  219.905  138.971  280.668  216.013   56.996   17.510   64.895   21.997 -7.899143 28.11523 
1 1 1  -37   11   17 o   38.482   11.610 -26.6032  111.358   95.332  136.705 -267.0778  191.980   44.409   17.128   32.555   15.678 11.85479 23.22032 
1 1 1  -37   11   18 o   88.385   11.700  514.446  119.449  477.777  142.858  599.651  217.766   84.988   13.236   91.782   19.296 -6.793152 23.39935 
1 1 1  -37   11   19 o   50.790   15.123   78.819  162.145   43.648  270.991   98.433  202.368   51.947   22.445   49.634   20.273 2.313000 30.24551 
1 1 1  -37   11   20 o   68.628   16.593  283.526  173.523  580.237  301.567  136.663  212.165   85.053   25.727   52.204   20.962 32.84834 33.18542 
1 1 1  -37   11   21 o   31.390   10.960 -427.7710  158.992 -297.4960  200.747 -647.0135  260.423   31.895   15.519   30.886   15.480 1.008814 21.91968 
1 1 1  -37   11   22 o  109.380   10.296  1175.05  209.182  2278.08  258.131 -934.9428  357.016  184.287   11.030   34.472   17.388 149.8141 20.59108 
1 1 1  -37   11   23 o   53.708   15.734  167.339  170.565  246.192  279.478  120.537  215.313   58.442   23.842   48.973   20.538 9.468353 31.46861 
1 1 1  -37   11   24 o   37.358   12.745 -253.6505  165.903 -31.6016  280.905 -372.5905  205.589   45.112   20.854   29.604   14.658 15.50826 25.49021 
1 1 1  -37   11   25 o   50.652   15.639  161.063  183.804  166.995  316.000  158.029  225.960   52.198   23.323   49.105   20.839 3.092865 31.27702 
1 1 1  -37   13    1 o  299.479   4.7006  5625.42  170.515  5391.33  209.542  6084.28  293.380  290.694   5.6762  308.264   7.4943 -17.57053 9.401239 
1 1 1  -37   13    2 o   86.902   10.069  545.914   92.188  597.437  108.590  412.947  174.447   96.445   8.8661   77.359   18.082 19.08665 20.13856 
1 1 1  -37   13    3 o   62.499   12.135  253.250   93.203  230.436  111.440  306.356  170.020   58.210   14.986   66.788   19.090 -8.577534 24.26956 
1 1 1  -37   13    4 o   75.415   11.194  398.928   93.858  420.133  109.469  340.076  182.368   80.675   10.685   70.155   19.674 10.51979 22.38824 
1 1 1  -37   13    5 o  208.342   5.0659  2732.42  116.966  2686.90  135.103  2868.63  233.713  205.305   5.1819  211.380   8.7065 -6.075378 10.13187 
1 1 1  -37   13    6 o   62.911   11.688  241.500   90.001  184.546  107.962  371.250  162.954   52.439   15.279   73.382   17.693 -20.94357 23.37650 
1 1 1  -37   13    7 o   43.961   12.158   57.669   96.311   4.9540  118.671  159.393  164.849   35.292   15.043   52.629   19.105 -17.33702 24.31653 
1 1 1  -37   13    8 o   87.779   9.3850  468.155   99.817  394.942  121.015  623.979  176.549   77.962   12.223   97.596   14.245 -19.63441 18.77009 
1 1 1  -37   13    9 o   56.821   16.006  219.676  120.425  219.676  120.425   0.0000   0.0000   56.821   16.006  ?   ?       ?      ? 
1 1 1  -37   13   10 o   47.878   12.302  132.940   97.450  174.845  116.790   36.899  176.809   51.389   16.096   44.368   18.609 7.020565 24.60463 
1 1 1  -37   13   11 o   47.555   12.369   45.419  102.509 -60.0660  123.967  273.498  182.286   31.744   14.359   63.365   20.143 -31.62068 24.73720 
1 1 1  -37   13   12 o  145.717   8.4015  1360.73  154.077  1600.47  237.235  1185.83  202.629  156.605   11.929  134.830   11.834 21.77493 16.80310 
1 1 1  -37   13   13 o   44.669   12.691   42.991  106.817 -19.0465  130.256  170.370  186.648   35.008   15.337   54.330   20.225 -19.32195 25.38235 
1 1 1  -37   13   14 o   64.867   12.989  298.362  105.585  308.617  124.154  271.561  200.703   66.761   15.009   62.973   21.204 3.787975 25.97799 
1 1 1  -37   13   15 o   75.089   12.524  427.513  114.403  484.475  136.517  293.160  209.661   85.584   12.561   64.594   21.672 20.98915 25.04897 
1 1 1  -37   13   16 o   52.616   13.060   11.605  142.557 -316.8148  192.220  413.041  212.516   30.797   15.029   74.436   21.364 -43.63869 26.12061 
1 1 1  -37   13   17 o   45.939   14.185   14.430  157.338 -52.4641  240.704   64.334  207.902   44.515   20.084   47.362   20.038 -2.846825 28.37083 
1 1 1  -37   13   18 o   28.058   9.9614 -587.4938  156.450 -435.8554  199.041 -832.6301  253.071   28.471   14.153   27.644   14.022 0.8264694 19.92286 
1 1 1  -37   13   19 o  207.558   10.401  3504.12  219.056  4928.30  285.486  1465.12  341.595  274.446   8.1913  140.670   19.122 133.7757 20.80253 
1 1 1  -37   13   20 o   37.024   12.467 -292.2946  170.965 -597.9607  247.459 -13.1596  236.476   29.948   15.021   44.100   19.901 -14.15126 24.93353 
1 1 1  -37   13   21 o   43.151   13.972 -24.3049  166.520 -28.0471  278.145 -22.2143  207.894   45.526   20.939   40.777   18.506 4.748600 27.94494 
1 1 1  -37   13   22 f   51.954   15.466  148.433  169.946  336.832  281.283   40.123  213.273   60.722   24.221   43.186   19.238 17.53633 30.93159 
1 1 1  -37   15    1 o  171.668   5.6572  1875.54  108.444  1847.74  125.886  1955.53  213.537  169.866   5.8357  173.469   9.6934 -3.602707 11.31444 
1 1 1  -37   15    2 o   44.131   11.725  102.135   95.467  170.393  108.770 -126.8358  199.215   50.169   15.504   38.094   17.593 12.07485 23.44979 
1 1 1  -37   15    3 o  120.316   7.9402  890.257  105.067  837.329  119.914  1065.18  217.995  113.892   8.2908  126.740   13.544 -12.84726 15.88039 
1 1 1  -37   15    4 o  173.184   5.6147  2000.04  109.701  2088.24  130.127  1783.36  203.957  180.649   5.6722  165.719   9.6915 14.92963 11.22936 
1 1 1  -37   15    5 o   86.849   10.085  477.764  100.007  431.729  118.137  594.177  187.865   81.168   11.461   92.530   16.597 -11.36282 20.17006 
1 1 1  -37   15    6 o  114.208   8.3192  937.467   99.200  1017.75  115.134  706.137  195.437  125.793   7.2072  102.622   14.996 23.17091 16.63841 
1 1 1  -37   15    7 o   81.676   10.696  428.990   99.318  391.693  117.016  525.079  187.822   77.141   11.945   86.212   17.747 -9.070663 21.39242 
1 1 1  -37   15    8 o   32.861   10.781 -127.6597   97.380 -177.6895  116.623 -12.4528  176.974   24.934   12.060   40.788   17.873 -15.85380 21.56132 
1 1 1  -37   15    9 o   53.583   13.459  178.295  106.463  169.313  125.179  201.779  202.400   50.361   16.743   56.806   21.078 -6.444828 26.91852 
1 1 1  -37   15   10 o   87.590   12.179  607.702  114.809  684.427  134.211  398.378  221.680  102.188   10.342   72.992   22.053 29.19693 24.35773 
1 1 1  -37   15   11 o   62.696   13.540  250.055  110.579  188.137  131.409  400.248  204.667   52.306   17.144   73.087   20.962 -20.78011 27.08001 
1 1 1  -37   15   12 o   69.967   12.423  268.856  110.119  127.029  129.276  643.857  210.210   45.775   16.872   94.159   18.239 -48.38349 24.84603 
1 1 1  -37   15   13 o   36.508   11.783 -29.9357  103.274   7.7512  114.069 -201.2502  243.204   33.949   14.616   39.067   18.487 -5.117855 23.56660 
1 1 1  -37   15   14 o  176.481   9.0065  1964.62  193.939  1586.93  237.470  2721.07  336.069  153.299   12.198  199.664   13.254 -46.36523 18.01292 
1 1 1  -37   15   15 o   56.281   12.466 -83.4929  167.307  585.151  227.440 -871.9648  246.980   86.120   20.988   26.442   13.456 59.67802 24.93104 
1 1 1  -37   15   16 o   42.400   13.283 -89.5033  155.310 -327.9398  215.035  170.520  224.558   32.086   15.709   52.714   21.424 -20.62844 26.56560 
1 1 1  -37   15   17 o   32.557   11.258 -310.1485  153.707 -332.7486  208.875 -283.4554  227.003   31.082   15.271   34.032   16.546 -2.949951 22.51628 
1 1 1  -37   15   18 o   44.254   13.626   49.562  149.101 -73.6544  221.850  151.068  201.358   39.508   18.357   49.000   20.142 -9.491894 27.25240 
1 1 1  -37   15   19 o   58.344   15.392  300.841  153.601  271.099  235.989  322.703  202.326   56.302   22.271   60.386   21.253 -4.084251 30.78454 
1 1 1  -37   17    1 o   26.628   12.862 -179.4028  131.486 -179.4028  131.486   0.0000   0.0000   26.628   12.862  ?   ?       ?      ? 
1 1 1  -37   17    3 o  146.549   8.0824  1405.24  150.420  1405.24  150.420   0.0000   0.0000  146.549   8.0824  ?   ?       ?      ? 
1 1 1  -37   17    4 o  106.324   11.316  760.655  152.792  760.655  152.792   0.0000   0.0000  106.324   11.316  ?   ?       ?      ? 
1 1 1  -37   17    5 o   72.207   18.048  394.560  165.039  394.560  165.039   0.0000   0.0000   72.207   18.048  ?   ?       ?      ? 
1 1 1  -37   17    6 o  ?   ?  -886.0354  160.058 -886.0354  160.058   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -37   17    7 o   65.796   18.691  333.490  163.499  333.490  163.499   0.0000   0.0000   65.796   18.691  ?   ?       ?      ? 
1 1 1  -37   17    8 o   33.246   15.579 -116.7596  165.395 -116.7596  165.395   0.0000   0.0000   33.246   15.579  ?   ?       ?      ? 
1 1 1  -37   17    9 o   34.541   15.792 -57.5392  154.969 -57.5392  154.969   0.0000   0.0000   34.541   15.792  ?   ?       ?      ? 
1 1 1  -37   17   10 o   50.013   14.155   82.676  122.745  -1.7318  140.952  347.572  249.698   35.815   15.813   64.211   23.482 -28.39611 28.30983 
1 1 1  -37   17   11 o   63.997   23.654  354.098  254.400   0.0000   0.0000  354.098  254.400  ?   ?    63.997   23.654      ?      ? 
1 1 1  -37   17   12 o   45.214   19.309   88.921  196.188   0.0000   0.0000   88.921  196.188  ?   ?    45.214   19.309      ?      ? 
1 1 1  -37   17   13 o   55.511   20.751  251.019  196.885   0.0000   0.0000  251.019  196.885  ?   ?    55.511   20.751      ?      ? 
1 1 1  -37   17   14 o   42.916   18.910   57.556  200.554   0.0000   0.0000   57.556  200.554  ?   ?    42.916   18.910      ?      ? 
1 1 1  -36    0    1 o  524.848   4.6354 17516.82  436.780 17516.82  436.780 17516.82  436.780  524.848   6.5555  524.848   6.5555 -0.000000 0.000000 
1 1 1  -36    0    2 o   30.804   12.648   73.774  114.716   73.774  114.716   73.774  114.716   30.804   17.886   30.804   17.886 -0.000000 0.000000 
1 1 1  -36    0    3 o  211.194   4.0640  2840.55  153.887  2840.55  153.887  2840.55  153.887  211.194   5.7474  211.194   5.7474 -0.000000 0.000000 
1 1 1  -36    0    4 o  131.115   5.6408  1105.22  131.702  1105.22  131.702  1105.22  131.702  131.115   7.9774  131.115   7.9774 -0.000000 0.000000 
1 1 1  -36    0    5 o  213.961   4.0695  2915.34  156.118  2915.34  156.118  2915.34  156.118  213.961   5.7551  213.961   5.7551 -0.000000 0.000000 
1 1 1  -36    0    6 o   34.692   13.300  108.827  116.316  108.827  116.316  108.827  116.316   34.692   18.809   34.692   18.809 -0.000000 0.000000 
1 1 1  -36    0    7 o  218.829   4.2360  3050.03  166.194  3050.03  166.194  3050.03  166.194  218.829   5.9906  218.829   5.9906 -0.000000 0.000000 
1 1 1  -36    0    8 o  521.001   4.7018 17262.70  439.783 17262.70  439.783 17262.70  439.783  521.001   6.6494  521.001   6.6494 -0.000000 0.000000 
1 1 1  -36    0    9 o  108.473   7.5427  770.641  143.679  770.641  143.679  770.641  143.679  108.473   10.667  108.473   10.667 -0.000000 0.000000 
1 1 1  -36    0   10 o   25.707   11.993 -29.7735  142.554 -29.7735  142.554 -29.7735  142.554   25.707   16.960   25.707   16.960 -0.000000 0.000000 
1 1 1  -36    0   11 o   82.507   9.6597  468.140  131.337  468.140  131.337  468.140  131.337   82.507   13.661   82.507   13.661 -0.000000 0.000000 
1 1 1  -36    0   12 o  107.170   7.4180  752.287  139.635  752.287  139.635  752.287  139.635  107.170   10.491  107.170   10.491 -0.000000 0.000000 
1 1 1  -36    0   13 o  148.740   5.8665  1420.82  155.597  1420.82  155.597  1420.82  155.597  148.740   8.2965  148.740   8.2965 -0.000000 0.000000 
1 1 1  -36    0   14 o   77.688   12.065  437.119  147.336  437.119  147.336  437.119  147.336   77.688   17.063   77.688   17.063 -0.000000 0.000000 
1 1 1  -36    0   15 o   34.717   14.459   89.645  153.534   89.645  153.534   89.645  153.534   34.717   20.448   34.717   20.448 -0.000000 0.000000 
1 1 1  -36    0   16 o   83.717   12.459  503.948  164.904  503.948  164.904  503.948  164.904   83.717   17.619   83.717   17.619 -0.000000 0.000000 
1 1 1  -36    0   17 o   64.156   16.001  348.039  167.465  348.039  167.465  348.039  167.465   64.156   22.629   64.156   22.629 -0.000000 0.000000 
1 1 1  -36    0   18 o   78.062   15.880  478.468  193.071  478.468  193.071  478.468  193.071   78.062   22.458   78.062   22.458 -0.000000 0.000000 
1 1 1  -36    0   19 o  113.379   10.366  864.660  201.348  864.660  201.348  864.660  201.348  113.379   14.659  113.379   14.659 -0.000000 0.000000 
1 1 1  -36    0   20 o   24.232   11.766 -111.1115  165.813 -111.1115  165.813 -111.1115  165.813   24.232   16.639   24.232   16.639 -0.000000 0.000000 
1 1 1  -36    0   21 o  422.280   4.7421 11362.91  359.429 11362.91  359.429 11362.91  359.429  422.280   6.7063  422.280   6.7063 -0.000000 0.000000 
1 1 1  -36    0   22 o   26.666   13.015 -153.0594  209.164 -153.0594  209.164 -153.0594  209.164   26.666   18.405   26.666   18.405 -0.000000 0.000000 
1 1 1  -36    0   23 o   43.469   18.205  149.204  245.805  149.204  245.805  149.204  245.805   43.469   25.746   43.469   25.746 -0.000000 0.000000 
1 1 1  -36    0   24 o   37.409   16.729   52.586  240.960   52.586  240.960   52.586  240.960   37.409   23.659   37.409   23.659 -0.000000 0.000000 
1 1 1  -36    0   25 o   35.482   16.131   25.583  235.257   25.583  235.257   25.583  235.257   35.482   22.812   35.482   22.812 -0.000000 0.000000 
1 1 1  -36    0   26 o   90.462   18.555  671.812  261.613  671.812  261.613  671.812  261.613   90.462   26.240   90.462   26.240 -0.000000 0.000000 
1 1 1  -36    0   27 o   28.300   13.950 -200.4751  256.289 -200.4751  256.289 -200.4751  256.289   28.300   19.728   28.300   19.728 -0.000000 0.000000 
1 1 1  -36    0   29 o   26.585   13.467 -383.8889  299.727 -383.8889  299.727 -383.8889  299.727   26.585   19.045   26.585   19.045 -0.000000 0.000000 
1 1 1  -36    2    1 o   46.985   11.274  131.570   80.234  130.214  112.512  132.973  114.449   46.758   15.875   47.212   16.011 -0.4539833 22.54717 
1 1 1  -36    2    2 o  216.854   3.9694  2986.02  108.857  2943.86  146.894  3037.38  162.124  215.172   5.3758  218.536   5.8418 -3.363922 7.938846 
1 1 1  -36    2    3 o  130.935   5.3502  1091.35   88.944  1121.35  126.567  1062.08  125.020  132.715   7.5097  129.155   7.6224 3.560059 10.70032 
1 1 1  -36    2    4 o  207.320   4.0736  2735.16  106.987  2758.77  146.614  2708.26  156.470  208.290   5.5428  206.351   5.9710 1.939697 8.147113 
1 1 1  -36    2    5 o  252.532   3.8564  4058.72  123.130  4095.59  166.914  4014.70  182.376  253.809   5.1785  251.255   5.7158 2.553848 7.712809 
1 1 1  -36    2    6 o  372.753   3.9998  8837.20  189.316  8950.03  266.857  8722.88  268.618  375.154   5.6013  370.352   5.7114 4.802277 7.999695 
1 1 1  -36    2    7 o  128.648   5.9435  1053.05   96.876  1033.79  132.052  1075.50  142.557  127.389   8.1627  129.907   8.6413 -2.518730 11.88705 
1 1 1  -36    2    8 o  192.027   4.4803  2345.86  109.244  2296.19  153.663  2396.62  155.341  189.970   6.3695  194.084   6.3026 -4.114136 8.960646 
1 1 1  -36    2    9 f  220.101   4.2226  3076.06  117.895  2963.20  162.133  3202.70  171.740  215.829   5.9154  224.374   6.0273 -8.544968 8.445112 
1 1 1  -36    2   10 o   34.284   10.627 -28.9650   88.448 -35.8150  129.216 -22.9259  121.326   34.459   15.181   34.109   14.876 0.3495331 21.25466 
1 1 1  -36    2   11 o   48.082   11.904  104.859   97.942  226.001  142.258  -4.3132  135.047   58.819   17.643   37.344   15.986 21.47517 23.80782 
1 1 1  -36    2   12 o  138.118   6.3787  1220.80  111.381  1088.18  157.492  1353.49  157.540  130.555   9.4992  145.681   8.5155 -15.12566 12.75730 
1 1 1  -36    2   13 o  128.280   6.9190  1057.13  112.080  965.249  162.268  1140.96  154.994  122.869   10.399  133.691   9.1292 -10.82180 13.83807 
1 1 1  -36    2   14 o  174.111   5.5000  1933.04  121.578  1986.92  172.213  1879.50  171.664  176.539   7.6815  171.683   7.8736 4.856079 10.99995 
1 1 1  -36    2   15 o   72.245   12.815  353.354  117.353  332.727  171.633  371.463  160.817   70.265   18.846   74.224   17.369 -3.959099 25.62919 
1 1 1  -36    2   16 o   77.840   12.250  408.960  117.980  421.069  165.702  396.511  168.020   79.077   17.006   76.603   17.637 2.473686 24.49988 
1 1 1  -36    2   17 o  159.445   6.5212  1631.04  131.625  1708.63  182.024  1546.00  190.560  163.488   8.7673  155.402   9.6560 8.086227 13.04240 
1 1 1  -36    2   18 o   60.380   14.020  233.224  123.776  217.691  189.518  244.779  163.453   59.701   20.595   61.060   19.029 -1.358688 28.03981 
1 1 1  -36    2   19 o   78.373   12.549  420.030  121.631  396.084  181.075  439.719  164.188   76.091   18.839   80.656   16.584 -4.565041 25.09834 
1 1 1  -36    2   20 o   89.375   10.979  535.589  120.280  617.265  167.257  448.108  173.098   97.575   13.498   81.175   17.319 16.40018 21.95804 
1 1 1  -36    2   22 o  151.110   8.5143  1426.24  157.566  1677.11  268.007  1293.72  194.786  160.621   13.139  141.600   10.832 19.02077 17.02859 
1 1 1  -36    2   23 o   59.990   15.585  198.500  161.144   91.015  232.172  298.409  223.841   52.961   21.683   67.019   22.393 -14.05771 31.17076 
1 1 1  -36    2   24 o   56.337   15.662  146.487  168.333   28.287  264.579  226.872  218.190   51.945   22.309   60.729   21.990 -8.784557 31.32491 
1 1 1  -36    2   25 o   64.481   16.172  243.678  181.105   40.042  258.970  438.591  253.363   51.528   22.099   77.435   23.617 -25.90618 32.34423 
1 1 1  -36    2   26 o   49.556   14.144  113.819  132.695  161.214  153.402 -27.0436  264.463   50.899   18.437   48.213   21.454 2.686111 28.28794 
1 1 1  -36    2   27 o   35.997   11.995 -140.1105  124.907 -156.3212  147.365 -98.7483  235.394   29.983   14.246   42.012   19.301 -12.02916 23.98941 
1 1 1  -36    2   28 o  275.315   8.4800  4678.77  280.761  7596.87  476.870  3130.60  347.344  336.435   11.161  214.195   12.769 122.2403 16.95990 
1 1 1  -36    2   29 o   36.147   12.570 -423.5880  202.722 -547.0778  300.956 -321.0182  274.281   35.010   17.403   37.284   18.141 -2.273956 25.13905 
1 1 1  -36    2   30 o   40.661   19.381 -151.4426  277.067   0.0000   0.0000 -151.4426  277.067  ?   ?    40.661   19.381      ?      ? 
1 1 1  -36    4    1 o  127.157   5.2457  1048.46   83.162  1201.06  113.455  871.261  122.254  137.382   6.5030  116.932   8.2329 20.45004 10.49146 
1 1 1  -36    4    2 o  258.444   3.6695  4248.99  120.012  4271.24  163.272  4222.84  177.004  259.196   4.9603  257.692   5.4088 1.503723 7.338949 
1 1 1  -36    4    3 o  176.222   4.4826  1979.50   99.968  2024.20  136.721  1928.15  146.541  178.380   6.0355  174.064   6.6294 4.316849 8.965269 
1 1 1  -36    4    4 o  176.672   4.4479  1983.76   99.663  1945.91  136.968  2026.35  145.290  174.890   6.1671  178.454   6.4111 -3.564194 8.895768 
1 1 1  -36    4    5 o  293.657   3.9061  5459.07  144.827  5264.41  193.245  5708.51  218.750  287.732   5.2886  299.583   5.7498 -11.85135 7.812155 
1 1 1  -36    4    6 o  117.047   6.1788  871.212   91.617  844.375  124.541  902.865  135.253  115.099   8.5205  118.995   8.9504 -3.896492 12.35752 
1 1 1  -36    4    7 o  291.785   3.9785  5423.42  147.194  5664.87  205.870  5170.91  210.536  298.455   5.4317  285.114   5.8147 13.34161 7.957059 
1 1 1  -36    4    8 o  109.275   7.0024  763.753   96.969  714.784  138.158  811.297  136.133  105.794   10.283  112.757   9.5069 -6.963402 14.00471 
1 1 1  -36    4    9 o  273.777   4.0244  4736.44  139.251  4463.64  186.229  5082.40  209.719  264.908   5.5357  282.645   5.8428 -17.73752 8.048734 
1 1 1  -36    4   10 o  302.016   3.9826  5801.33  152.439  5783.04  208.870  5822.19  222.983  301.524   5.4548  302.508   5.8044 -0.9837341 7.965285 
1 1 1  -36    4   11 o   76.369   10.155  386.021   95.393  486.148  135.964  288.948  133.873   87.092   12.293   65.645   16.166 21.44621 20.30907 
1 1 1  -36    4   12 o  139.819   6.1128  1246.71  108.475  1188.01  151.663  1308.19  155.212  136.443   8.7529  143.195   8.5353 -6.752518 12.22558 
1 1 1  -36    4   13 o   78.145   11.063  408.189  105.934  432.260  149.341  383.811  150.291   80.610   15.145   75.681   16.131 4.929520 22.12599 
1 1 1  -36    4   14 o  193.551   5.0648  2375.32  123.983  2258.75  166.514  2520.36  185.732  188.270   6.9645  198.833   7.3557 -10.56297 10.12967 
1 1 1  -36    4   15 o   59.573   13.051  228.777  111.355  293.102  156.157  162.226  158.837   66.021   18.090   53.125   18.817 12.89652 26.10164 
1 1 1  -36    4   16 f  148.136   6.6579  1407.31  124.937  1503.83  175.393  1307.88  178.012  153.352   9.0063  142.919   9.8080 10.43330 13.31578 
1 1 1  -36    4   17 o  128.345   8.1202  1051.44  131.856  1174.00  196.141  950.385  178.105  135.126   11.430  121.564   11.537 13.56222 16.24040 
1 1 1  -36    4   18 o   71.063   13.541  346.615  128.368  241.519  186.206  441.800  177.208   61.529   20.419   80.597   17.790 -19.06765 27.08175 
1 1 1  -36    4   19 o   28.506   9.8820 -332.9619  121.619 -353.1664  171.950 -312.7360  172.041   27.968   13.764   29.044   14.184 -1.076130 19.76407 
1 1 1  -36    4   20 o  416.401   6.6808 11070.45  353.280 11070.45  353.280   0.0000   0.0000  416.401   6.6808  ?   ?       ?      ? 
1 1 1  -36    4   21 o   69.984   14.673  320.162  142.743  455.790  216.018  215.037  190.180   80.895   20.884   59.073   20.616 21.82162 29.34602 
1 1 1  -36    4   22 o   61.894   14.993  245.198  141.147  229.590  218.595  256.358  184.847   61.501   22.043   62.287   20.329 -0.7868156 29.98592 
1 1 1  -36    4   23 f   69.052   12.981  367.224  122.257  454.608  141.699  112.717  241.825   83.329   13.390   54.775   22.243 28.55476 25.96244 
1 1 1  -36    4   24 o   42.292   12.964 -79.5536  120.537 -167.4620  142.209  144.751  227.160   29.344   13.958   55.240   21.851 -25.89639 25.92836 
1 1 1  -36    4   25 o   59.997   14.501  186.823  122.039  112.427  141.471  403.212  241.274   45.971   17.499   74.022   23.127 -28.05065 29.00151 
1 1 1  -36    4   26 o   39.649   13.225 -206.6747  174.129 -288.2074  261.735 -141.9320  233.234   38.763   18.574   40.536   18.831 -1.773239 26.44945 
1 1 1  -36    4   27 o   30.763   15.645 -980.5277  191.000 -1116.1021  329.906 -912.1734  234.253   30.763   15.645  ?   ?       ?      ? 
1 1 1  -36    4   28 o   34.695   11.935 -295.7036  164.158 -365.4599  264.128 -251.7999  209.543   35.849   17.521   33.541   16.210 2.307873 23.86930 
1 1 1  -36    4   29 o   61.421   15.821  322.338  174.495  130.305  276.601  449.283  224.892   51.334   22.423   71.509   22.326 -20.17478 31.64234 
1 1 1  -36    4   30 o   44.766   14.192   55.154  168.680 -16.0462  242.142  122.279  235.112   42.046   19.410   47.486   20.709 -5.440193 28.38386 
1 1 1  -36    6    1 o  364.419   3.9044  8442.47  180.170  8378.64  245.244  8517.33  265.565  362.947   5.3208  365.891   5.7153 -2.943848 7.808713 
1 1 1  -36    6    2 o  130.599   5.2611  1089.06   86.488  1106.42  115.440  1066.86  130.578  131.818   6.8961  129.380   7.9474 2.437592 10.52221 
1 1 1  -36    6    3 o   36.935   10.913   17.263   85.090   13.592  114.362   21.816  127.353   35.709   14.971   38.161   15.883 -2.451466 21.82659 
1 1 1  -36    6    4 o  376.075   4.0319  8998.70  191.863  9011.08  260.601  8984.04  283.516  376.388   5.4521  375.761   5.9414 0.6266174 8.063839 
1 1 1  -36    6    5 o   59.813   10.826  241.534   83.345  282.265  113.598  194.045  122.659   65.057   14.152   54.569   16.386 10.48856 21.65136 
1 1 1  -36    6    6 o  187.247   4.7049  2233.86  111.757  2274.84  155.383  2189.94  160.856  189.041   6.4725  185.453   6.8301 3.587814 9.409710 
1 1 1  -36    6    7 o   70.966   9.9857  336.916   87.998  201.305  122.971  479.241  125.978   55.405   16.353   86.527   11.465 -31.12255 19.97145 
1 1 1  -36    6    8 o  153.661   5.1690  1501.64  100.663  1464.71  137.388  1544.44  147.913  151.637   7.1345  155.684   7.4814 -4.047180 10.33795 
1 1 1  -36    6    9 o   85.705   8.9262  473.642   96.588  501.451  132.329  441.933  141.304   88.468   11.779   82.942   13.415 5.526367 17.85240 
1 1 1  -36    6   10 o  312.918   5.4970  6230.12  218.440  6230.12  218.440   0.0000   0.0000  312.918   5.4970  ?   ?       ?      ? 
1 1 1  -36    6   11 o   39.455   11.512   20.956   96.450   80.091  131.602 -47.6665  141.766   43.405   16.787   35.505   15.758 7.899883 23.02454 
1 1 1  -36    6   12 o  132.149   6.6388  1110.17  110.999  1050.23  149.352  1184.12  165.901  128.205   9.1733  136.093   9.5993 -7.887192 13.27764 
1 1 1  -36    6   13 o  157.386   5.9569  1568.99  118.465  1459.58  158.172  1708.77  178.786  151.206   8.2372  163.565   8.6073 -12.35876 11.91373 
1 1 1  -36    6   14 o  110.366   8.6060  782.720  120.486  793.939  175.038  772.617  166.100  111.090   12.407  109.642   11.929 1.447968 17.21194 
1 1 1  -36    6   15 o   68.475   13.156  317.840  117.678  289.408  168.322  345.024  164.586   65.669   19.061   71.282   18.137 -5.613106 26.31153 
1 1 1  -36    6   16 o   45.553   12.976   56.523  118.209 -12.5117  167.914  124.353  166.441   40.845   17.658   50.261   19.017 -9.416252 25.95120 
1 1 1  -36    6   17 o   92.665   11.395  574.726  126.447  334.580  171.749  858.959  186.850   70.039   18.881  115.290   12.762 -45.25026 22.78922 
1 1 1  -36    6   18 o   32.318   15.372 -423.4530  119.350 -620.4723  165.367 -209.2498  172.428  ?   ?    32.318   15.372      ?      ? 
1 1 1  -36    6   19 o  223.070   8.7151  3521.92  180.670  6902.62  273.463  903.216  240.678  328.811   6.5490  117.329   16.153 211.4827 17.43016 
1 1 1  -36    6   20 o   41.673   12.162 -81.4142  110.477 -213.9709  135.320  183.543  191.315   26.826   12.979   56.520   20.572 -29.69477 24.32379 
1 1 1  -36    6   21 o   44.381   12.978   39.168  106.617   15.683  124.098  105.357  208.338   36.833   15.527   51.930   20.800 -15.09713 25.95598 
1 1 1  -36    6   22 o   63.447   11.711   95.316  113.041 -102.9185  132.009  640.320  218.883   30.737   14.239   96.158   18.597 -65.42139 23.42253 
1 1 1  -36    6   23 o   35.769   11.512 -81.6211  114.358 -20.2795  141.427 -197.4794  194.366   36.446   15.974   35.093   16.582 1.353420 23.02427 
1 1 1  -36    6   24 o   77.410   15.646  446.805  166.319  321.442  245.785  552.698  225.893   67.708   23.448   87.113   20.721 -19.40504 31.29185 
1 1 1  -36    6   25 o   69.536   17.665  351.147  177.084  257.843  424.081  370.852  194.888   68.425   28.766   70.646   20.512 -2.220474 35.33014 
1 1 1  -36    6   26 o   34.858   12.043 -478.5973  175.883 -125.2973  256.704 -791.2008  241.467   42.629   19.787   27.087   13.735 15.54248 24.08658 
1 1 1  -36    6   27 o   35.852   17.440 -624.6187  178.562 -919.0071  251.944 -327.5009  253.109  ?   ?    35.852   17.440      ?      ? 
1 1 1  -36    6   28 o   37.466   12.734 -223.4311  176.555 -234.3450  242.293 -211.0753  257.802   36.514   17.592   38.419   18.415 -1.905113 25.46795 
1 1 1  -36    6   29 f   45.639   14.334   18.794  183.738 -286.4933  290.129  223.226  237.417   37.972   18.516   53.305   21.887 -15.33305 28.66859 
1 1 1  -36    8    2 o  167.423   4.6658  1768.44   98.320  1666.92  129.247  1907.88  151.472  161.797   6.2903  173.048   6.8927 -11.25073 9.331513 
1 1 1  -36    8    3 o  248.015   4.1066  3925.19  126.489  3964.53  163.138  3865.88  200.291  249.641   5.1459  246.389   6.4012 3.251984 8.213157 
1 1 1  -36    8    4 o  219.080   5.5359  3054.19  154.018  3054.19  154.018   0.0000   0.0000  219.080   5.5359  ?   ?       ?      ? 
1 1 1  -36    8    5 o  101.632   7.4184  645.979   94.586  564.092  122.754  765.644  148.392   93.900   10.294  109.365   10.685 -15.46492 14.83680 
1 1 1  -36    8    6 o  172.589   4.8683  1880.20  106.172  1718.92  141.851  2085.65  160.101  164.259   6.8003  180.919   6.9684 -16.66052 9.736630 
1 1 1  -36    8    7 o  202.777   4.5105  2618.12  115.449  2613.35  154.933  2624.08  173.115  202.602   6.0217  202.952   6.7168 -0.3493347 9.020907 
1 1 1  -36    8    8 o  102.166   7.7337  667.173   99.435  657.054  131.613  680.629  151.777  101.323   10.228  103.009   11.603 -1.685410 15.46743 
1 1 1  -36    8    9 o  159.421   5.5144  1620.98  111.601  1604.27  155.428  1638.77  160.341  158.581   7.7180  160.261   7.8784 -1.680283 11.02887 
1 1 1  -36    8   10 o   69.315   11.834  324.356  102.922  328.303  142.422  320.042  148.901   69.785   16.356   68.844   17.107 0.9412079 23.66767 
1 1 1  -36    8   11 o  275.232   4.4162  4817.29  152.742  4765.47  201.434  4887.40  234.289  273.557   5.7984  276.906   6.6626 -3.348938 8.832384 
1 1 1  -36    8   12 o  236.664   4.6963  3582.46  140.076  3673.80  188.301  3469.28  209.601  240.117   6.1752  233.211   7.0773 6.906921 9.392623 
1 1 1  -36    8   13 o  116.642   7.9605  881.892  116.550  933.144  156.400  817.885  174.781  120.612   10.211  112.672   12.215 7.940010 15.92097 
1 1 1  -36    8   14 o  141.314   7.0491  1309.06  123.645  1538.32  169.288  1046.93  181.021  155.052   8.5975  127.575   11.173 27.47661 14.09829 
1 1 1  -36    8   15 o   41.158   12.158   37.814   99.595   72.867  114.980 -67.5142  199.311   40.697   15.705   41.618   18.565 -0.9213295 24.31653 
1 1 1  -36    8   16 o  147.438   6.9593  1261.46  115.943  1121.98  133.078  1700.90  236.208  132.446   7.9120  162.430   11.451 -29.98457 13.91868 
1 1 1  -36    8   17 o  147.574   13.322  1414.05  249.659   0.0000   0.0000  1414.05  249.659  ?   ?   147.574   13.322      ?      ? 
1 1 1  -36    8   18 o   38.749   11.861 -208.7195  109.554 -359.6249  130.068  159.724  203.238   21.993   11.011   55.505   21.011 -33.51141 23.72147 
1 1 1  -36    8   19 o  134.473   7.5048  1137.01  120.552  1081.97  145.821  1255.85  214.264  129.797   8.8466  139.149   12.125 -9.351730 15.00955 
1 1 1  -36    8   20 o   49.383   13.302   37.217  114.310 -60.1177  135.070  282.889  214.587   33.440   15.070   65.326   21.925 -31.88626 26.60483 
1 1 1  -36    8   21 o   50.072   13.604   61.166  116.576 -21.1016  137.477  271.715  219.935   35.946   15.752   64.198   22.184 -28.25266 27.20739 
1 1 1  -36    8   22 o   44.485   12.962   41.900  113.171  -3.1389  138.617  131.934  195.986   37.057   16.032   51.913   20.372 -14.85634 25.92358 
1 1 1  -36    8   23 o   81.538   17.506  467.550  176.124  604.076  361.451  425.041  201.688   86.973   28.429   76.104   20.437 10.86880 35.01253 
1 1 1  -36    8   24 o   60.367   16.879  125.361  180.858  472.631  343.293  -8.0557  212.783   76.757   27.612   43.977   19.422 32.77969 33.75840 
1 1 1  -36    8   25 o  113.986   9.0892  838.403  177.601 -596.0135  238.626  2619.66  265.915   29.529   14.802  198.443   10.552 -168.9146 18.17838 
1 1 1  -36    8   26 o   40.880   13.414 -104.9011  168.406 -29.5040  231.309 -189.9467  245.664   43.081   19.539   38.680   18.384 4.400295 26.82782 
1 1 1  -36    8   27 o   41.402   13.505 -53.8657  165.438 -21.8541  236.110 -84.7396  231.876   42.727   19.518   40.077   18.670 2.649757 27.00964 
1 1 1  -36    8   28 o   46.646   14.743   39.454  191.003 -194.1360  285.513  228.679  256.973   39.639   19.098   53.653   22.465 -14.01379 29.48559 
1 1 1  -36   10    1 o  324.436   4.2046  6743.65  171.271  6985.48  228.194  6431.67  259.181  331.225   5.4250  317.648   6.4251 13.57751 8.409112 
1 1 1  -36   10    2 o  186.555   4.5979  2215.52  107.598  2199.51  141.303  2237.62  165.993  185.809   5.9883  187.301   6.9787 -1.491592 9.195756 
1 1 1  -36   10    3 o   35.038   10.835 -23.5773   91.045  -5.1700  119.382 -49.1663  140.758   34.900   14.987   35.175   15.652 -0.2751465 21.67068 
1 1 1  -36   10    4 o   74.669   10.007  368.198   91.979  376.443  122.274  357.453  139.596   76.441   12.596   72.897   15.553 3.543793 20.01418 
1 1 1  -36   10    5 o  149.572   5.8217  1419.39  110.100  1325.76  147.525  1537.10  165.415  144.063   8.0638  155.081   8.3992 -11.01862 11.64348 
1 1 1  -36   10    6 o  106.830   7.5726  721.679  101.321  671.508  131.053  796.225  159.749  102.348   10.083  111.313   11.301 -8.964561 15.14521 
1 1 1  -36   10    7 o  111.162   7.7344  789.151  108.666  750.169  145.436  838.418  163.498  108.111   10.593  114.213   11.273 -6.101418 15.46880 
1 1 1  -36   10    8 o   74.632   11.554  370.699  106.213  313.259  141.783  444.159  160.339   68.002   16.570   81.262   16.107 -13.26028 23.10823 
1 1 1  -36   10    9 o  239.676   4.4765  3698.35  121.442  3742.90  142.939  3582.75  230.259  242.523   4.6411  236.829   7.6560 5.693192 8.952905 
1 1 1  -36   10   10 f  113.266   7.3617  878.580   93.995  959.248  113.080  698.237  169.077  122.569   7.2649  103.964   12.806 18.60455 14.72343 
1 1 1  -36   10   11 o  182.788   5.2886  2010.44  107.275  1890.95  122.870  2393.56  220.020  172.272   5.6163  193.303   8.9628 -21.03134 10.57711 
1 1 1  -36   10   12 o   29.762   10.395 -262.4047   95.680 -288.6291  107.064 -158.3878  213.227   20.195   10.092   39.328   18.176 -19.13286 20.79036 
1 1 1  -36   10   13 o  180.522   11.193  2099.87  256.596   0.0000   0.0000  2099.87  256.596  ?   ?   180.522   11.193      ?      ? 
1 1 1  -36   10   14 o   98.283   19.211  661.516  231.176   0.0000   0.0000  661.516  231.176  ?   ?    98.283   19.211      ?      ? 
1 1 1  -36   10   15 o  109.220   8.8812  715.094  111.086  646.951  128.890  911.912  219.049  100.260   10.123  118.181   14.595 -17.92071 17.76244 
1 1 1  -36   10   16 o   58.355   13.655  193.476  106.567  157.117  123.716  298.036  209.797   49.902   16.648   66.807   21.649 -16.90553 27.30987 
1 1 1  -36   10   17 o   46.223   13.250   64.052  113.909   40.768  137.698  114.526  202.738   40.401   16.638   52.045   20.625 -11.64441 26.49910 
1 1 1  -36   10   18 o   83.597   11.879  515.486  116.521  605.700  144.717  349.198  196.478   96.509   11.808   70.686   20.616 25.82308 23.75799 
1 1 1  -36   10   19 o   34.902   11.197 -162.1085  111.717 -303.4174  145.132   43.377  175.013   25.409   12.531   44.395   18.560 -18.98578 22.39428 
1 1 1  -36   10   20 o   87.287   14.392  548.777  156.837  501.261  222.060  596.070  221.541   83.156   21.018   91.418   19.666 -8.261482 28.78407 
1 1 1  -36   10   21 o   82.985   16.107  555.769  174.765  352.621  331.593  633.904  205.646   71.313   26.876   94.657   17.760 -23.34442 32.21384 
1 1 1  -36   10   22 o   42.143   13.777 -100.0452  164.244 -342.7303  325.110 -16.8815  190.316   42.821   20.566   41.464   18.337 1.356686 27.55427 
1 1 1  -36   10   23 o  ?   ?  -1208.3660  165.015 -990.8911  219.901 -1488.6650  249.651  ?   ?   ?   ?       ?      ? 
1 1 1  -36   10   24 o   29.949   10.626 -632.5844  176.357 -839.9488  257.226 -448.6484  242.260   27.642   14.033   32.257   15.961 -4.615065 21.25245 
1 1 1  -36   10   25 o   61.887   16.263  298.373  169.579  446.243  269.645  201.622  218.112   70.201   24.546   53.574   21.341 16.62728 32.52610 
1 1 1  -36   10   26 o   64.587   15.836  384.297  164.417  282.404  253.738  458.044  215.868   57.540   22.987   71.634   21.789 -14.09391 31.67275 
1 1 1  -36   12    1 o  422.073   5.3107 11631.45  273.608 12386.28  349.144 10430.17  440.454  440.638   6.2394  403.507   8.5955 37.13159 10.62137 
1 1 1  -36   12    2 o  148.662   6.5234  1479.10  106.704  1548.74  124.926  1291.23  205.183  155.809   6.3137  141.514   11.417 14.29514 13.04677 
1 1 1  -36   12    3 o   39.087   11.874   13.167   94.966   32.543  108.840 -48.6371  194.383   36.255   14.845   41.919   18.536 -5.663647 23.74748 
1 1 1  -36   12    4 o   46.794   12.703   32.630   92.483 -21.4793  103.673  243.471  204.648   31.231   13.683   62.357   21.407 -31.12536 25.40648 
1 1 1  -36   12    5 o  213.091   4.8767  3005.41  113.217  3114.86  131.462  2691.15  222.760  221.199   4.6800  204.983   8.5574 16.21567 9.753499 
1 1 1  -36   12    6 o  360.893   4.7485  8106.08  180.659  7945.93  203.811  8693.28  390.264  353.313   4.5424  368.474   8.3402 -15.16074 9.496944 
1 1 1  -36   12    7 o  334.297   8.2560  7155.61  350.492   0.0000   0.0000  7155.61  350.492  ?   ?   334.297   8.2560      ?      ? 
1 1 1  -36   12    8 o  151.570   12.590  1488.13  242.339   0.0000   0.0000  1488.13  242.339  ?   ?   151.570   12.590      ?      ? 
1 1 1  -36   12    9 o   47.880   12.903   32.932   96.723 -28.8497  108.834  265.104  210.979   31.509   13.904   64.251   21.739 -32.74195 25.80536 
1 1 1  -36   12   10 o   35.561   15.211   0.8925  122.109   0.8925  122.109   0.0000   0.0000   35.561   15.211  ?   ?       ?      ? 
1 1 1  -36   12   11 o   42.407   12.299   52.480  102.761   84.881  123.303 -21.2006  185.937   42.581   16.306   42.233   18.418 0.3476830 24.59897 
1 1 1  -36   12   12 o   71.161   12.554  340.302  105.399  331.369  124.840  362.473  196.673   69.980   14.523   72.341   20.482 -2.361282 25.10824 
1 1 1  -36   12   13 o   88.214   11.425  543.820  107.698  566.420  125.126  479.214  211.555   93.663   10.520   82.765   20.285 10.89745 22.85089 
1 1 1  -36   12   14 o   98.025   11.113  707.549  113.492  780.237  133.587  518.986  215.160  110.024   9.5609   86.026   20.063 23.99831 22.22501 
1 1 1  -36   12   15 o   67.602   13.475  278.648  110.581  223.143  129.006  432.396  214.708   57.184   16.713   78.021   21.143 -20.83686 26.95089 
1 1 1  -36   12   16 o   85.133   11.849  464.198  114.734  409.350  135.705  601.671  214.844   77.618   14.294   92.648   18.901 -15.02981 23.69724 
1 1 1  -36   12   17 o   88.489   11.804  616.240  116.421  742.950  141.627  352.195  204.447  106.833   10.439   70.145   21.175 36.68867 23.60867 
1 1 1  -36   12   18 o  103.142   12.292  738.550  156.360  848.916  224.895  635.286  217.540  111.936   15.821   94.349   18.816 17.58695 24.58351 
1 1 1  -36   12   19 o   72.109   16.215  318.873  171.681  654.481  293.199  143.769  211.785   91.386   24.683   52.832   21.035 38.55373 32.43012 
1 1 1  -36   12   20 o   63.571   15.788  285.918  165.349  154.296  234.531  415.997  233.152   54.102   21.928   73.040   22.720 -18.93806 31.57590 
1 1 1  -36   12   21 o  280.263   6.9279  5173.91  239.086  5101.76  302.595  5293.79  390.058  279.034   8.5394  281.492   10.911 -2.458862 13.85576 
1 1 1  -36   12   22 o   53.657   14.705   76.797  176.781 -295.0499  254.716  422.365  245.550   36.654   17.752   70.660   23.448 -34.00577 29.41004 
1 1 1  -36   12   23 o   37.775   12.674 -176.8175  167.978 -502.0782  303.374 -33.0091  201.723   35.737   17.714   39.813   18.130 -4.076324 25.34748 
1 1 1  -36   12   24 o   43.604   14.368 -48.8850  178.665   74.512  317.451 -106.0930  216.149   49.719   22.681   37.488   17.644 12.23059 28.73535 
1 1 1  -36   14    1 o  148.678   6.0519  1394.49  100.053  1367.19  115.725  1475.30  199.108  146.268   6.2302  151.089   10.377 -4.820541 12.10377 
1 1 1  -36   14    2 o   87.627   9.5975  461.479   98.145  406.183  115.057  609.206  188.058   79.142   11.448   96.112   15.408 -16.97063 19.19504 
1 1 1  -36   14    3 o  165.992   5.5721  1683.28  108.801  1557.74  129.145  1990.28  201.955  156.096   6.5149  175.888   9.0415 -19.79256 11.14416 
1 1 1  -36   14    4 o  204.514   4.8165  2616.70  113.031  2541.29  132.895  2813.91  214.918  199.614   5.2425  209.413   8.0815 -9.798584 9.632994 
1 1 1  -36   14    5 o   56.186   12.491  211.643   96.854  225.506  118.246  183.379  168.837   57.501   15.736   54.870   19.404 2.631687 24.98212 
1 1 1  -36   14    6 o  132.842   6.7482  1116.61  102.945  1089.44  121.270  1186.72  194.764  130.408   7.3227  135.277   11.337 -4.868149 13.49649 
1 1 1  -36   14    7 o  194.184   5.3737  2406.32  120.789  2389.94  143.633  2445.89  223.225  193.446   5.8468  194.921   9.0179 -1.475342 10.74744 
1 1 1  -36   14    8 o   65.049   13.747  288.105  122.533  243.564  165.885  341.592  181.780   60.188   19.224   69.909   19.655 -9.720638 27.49353 
1 1 1  -36   14    9 o   60.997   12.546  263.460  102.133  295.759  124.750  197.803  177.863   65.612   15.260   56.383   19.918 9.228588 25.09184 
1 1 1  -36   14   10 o   56.584   12.977  217.362  105.906  247.189  129.605  157.423  183.727   59.854   16.513   53.314   20.022 6.540138 25.95354 
1 1 1  -36   14   11 o   56.931   13.369  182.878  103.187  136.833  120.341  310.732  200.531   47.100   16.402   66.762   21.117 -19.66206 26.73829 
1 1 1  -36   14   12 o   59.228   13.289  238.889  108.240  242.161  131.700  232.080  190.003   59.046   16.776   59.410   20.614 -0.3637009 26.57728 
1 1 1  -36   14   13 o   88.139   13.311  551.042  141.875  559.970  226.076  545.241  182.225   87.874   20.615   88.403   16.847 -0.5287857 26.62278 
1 1 1  -36   14   14 o   58.266   12.485  249.980  109.334  336.143  133.890   77.527  189.419   69.254   15.599   47.278   19.497 21.97527 24.96914 
1 1 1  -36   14   15 o   46.828   13.110  107.748  114.513  142.078  139.697   37.429  199.932   48.160   17.571   45.496   19.462 2.663280 26.22080 
1 1 1  -36   14   16 o   37.085   12.244 -142.5822  142.440 -165.1507  201.641 -120.1034  201.240   36.268   17.061   37.902   17.567 -1.634102 24.48803 
1 1 1  -36   14   17 o  ?   ?  -848.4272  145.289 -794.0417  180.135 -949.6666  245.771  ?   ?   ?   ?       ?      ? 
1 1 1  -36   14   18 o  159.464   13.245  2333.32  190.999  3912.44  259.621  470.345  281.991  244.366   8.3661   74.561   25.133 169.8047 26.48906 
1 1 1  -36   14   19 o   43.518   13.483 -97.4470  157.742 -355.3239  213.225  214.307  234.443   31.256   15.371   55.779   22.155 -24.52238 26.96558 
1 1 1  -36   14   20 o   89.504   14.344  630.230  158.338  815.606  248.467  503.474  205.460  100.797   20.116   78.210   20.454 22.58636 28.68808 
1 1 1  -36   14   21 o   66.153   15.178  354.759  161.561  620.750  242.049  141.036  216.968   83.614   22.361   48.692   20.529 34.92144 30.35521 
1 1 1  -36   14   22 o   61.486   16.171  348.733  196.607   42.451  302.103  573.763  258.949   46.987   21.688   75.984   23.992 -28.99784 32.34156 
1 1 1  -36   16    1 o  185.685   5.8932  2292.41  133.065  2469.45  169.834  2010.94  214.142  195.836   6.8290  175.534   9.6064 20.30148 11.78636 
1 1 1  -36   16    2 o  116.733   8.1204  885.655  116.563  847.386  146.231  952.347  193.041  113.815   10.117  119.650   12.705 -5.834991 16.24075 
1 1 1  -36   16    3 o   50.996   12.477  172.102   94.923  189.624  112.371  128.450  177.360   52.296   15.679   49.697   19.414 2.598587 24.95451 
1 1 1  -36   16    4 o  156.173   6.0513  1576.40  108.576  1569.07  128.598  1594.57  202.620  156.242   6.4813  156.105   10.221 0.1372986 12.10262 
1 1 1  -36   16    5 o   54.556   11.654  217.647  106.715  336.684  125.800 -87.8345  201.527   69.484   14.715   39.628   18.075 29.85612 23.30718 
1 1 1  -36   16    6 o   85.998   11.198  532.378  103.970  555.365  121.620  469.970  200.393   92.028   10.407   79.967   19.830 12.06066 22.39507 
1 1 1  -36   16    7 o   56.061   13.120  221.195  103.141  241.085  118.616  159.536  208.846   58.382   15.671   53.740   21.046 4.641972 26.23964 
1 1 1  -36   16    8 o   37.271   11.899 -31.9145  109.200   13.042  124.159 -185.4877  229.477   35.876   15.342   38.666   18.193 -2.789528 23.79795 
1 1 1  -36   16    9 o   76.317   12.842  427.222  114.556  440.133  133.754  391.679  221.921   80.930   13.014   71.703   22.144 9.227425 25.68492 
1 1 1  -36   16   10 o  153.485   6.5661  1367.99  114.203  1182.64  130.977  1955.78  233.246  135.035   7.6379  171.935   10.682 -36.89990 13.13213 
1 1 1  -36   16   11 f   69.081   11.797  451.288  106.150  539.942  115.964  -7.0215  263.665   90.412   10.100   47.750   21.322 42.66167 23.59347 
1 1 1  -36   16   12 o  120.234   22.358 -512.4036  159.204 -1015.0100  181.954  1128.92  328.810  ?   ?   120.234   22.358      ?      ? 
1 1 1  -36   16   13 o   49.509   22.105   21.435  283.311   0.0000   0.0000   21.435  283.311  ?   ?    49.509   22.105      ?      ? 
1 1 1  -36   16   14 o   38.833   12.566 -81.3504  139.208 -159.5768  185.841   18.657  210.127   33.966   16.098   43.701   19.300 -9.735073 25.13264 
1 1 1  -36   16   15 o   54.508   14.385  190.004  145.124   31.301  202.710  356.876  207.861   43.298   19.047   65.718   21.563 -22.41972 28.77019 
1 1 1  -36   16   16 o  103.746   12.634  826.769  161.555  785.675  237.262  862.292  220.594   99.298   19.511  108.194   16.055 -8.896248 25.26760 
1 1 1  -36   16   17 o   47.568   14.369  104.864  149.852  201.850  243.393   45.657  190.168   53.072   22.012   42.064   18.477 11.00798 28.73887 
1 1 1  -36   16   18 o   34.497   11.833 -210.8911  155.193 -278.5998  263.809 -175.0585  191.914   36.164   17.639   32.830   15.777 3.334099 23.66537 
1 1 1  -36   18    1 o   29.497   14.139 -166.4870  152.020 -166.4870  152.020   0.0000   0.0000   29.497   14.139  ?   ?       ?      ? 
1 1 1  -36   18    2 o   52.871   17.743  210.536  140.533  210.536  140.533   0.0000   0.0000   52.871   17.743  ?   ?       ?      ? 
1 1 1  -36   18    3 o   30.546   14.442 -125.9585  147.841 -125.9585  147.841   0.0000   0.0000   30.546   14.442  ?   ?       ?      ? 
1 1 1  -36   18    4 o   42.348   17.610   78.150  156.354   78.150  156.354   0.0000   0.0000   42.348   17.610  ?   ?       ?      ? 
1 1 1  -36   18    5 o   35.391   16.221 -58.5816  164.919 -58.5816  164.919   0.0000   0.0000   35.391   16.221  ?   ?       ?      ? 
1 1 1  -36   18    6 o   49.814   19.202  169.436  171.743  169.436  171.743   0.0000   0.0000   49.814   19.202  ?   ?       ?      ? 
1 1 1  -36   18    7 o   65.799   19.529  350.973  174.981  350.973  174.981   0.0000   0.0000   65.799   19.529  ?   ?       ?      ? 
1 1 1  -36   18    8 o  145.780   9.6920  1428.62  179.427  1428.62  179.427   0.0000   0.0000  145.780   9.6920  ?   ?       ?      ? 
1 1 1  -36   18    9 o   56.826   19.279  259.649  165.939  259.649  165.939   0.0000   0.0000   56.826   19.279  ?   ?       ?      ? 
1 1 1  -36   18   10 f   65.019   23.672  390.053  253.343  390.053  253.343   0.0000   0.0000   65.019   23.672  ?   ?       ?      ? 
1 1 1  -35    1    1 o   99.299   6.7222  636.274   83.536  688.503  112.103  571.061  125.264  103.976   8.4900   94.622   10.425 9.353767 13.44439 
1 1 1  -35    1    2 o  160.579   4.6620  1638.90   95.003  1608.89  131.454  1671.72  137.456  159.045   6.5084  162.113   6.6768 -3.068298 9.324096 
1 1 1  -35    1    3 o  145.798   5.0086  1349.89   92.360  1325.52  124.613  1379.60  137.581  144.352   6.7977  147.244   7.3577 -2.892136 10.01724 
1 1 1  -35    1    4 o  228.790   3.8541  3317.85  111.720  3192.56  151.907  3465.45  164.880  224.104   5.3376  233.475   5.5610 -9.370392 7.708115 
1 1 1  -35    1    5 o  489.576   4.4802 15236.10  278.349 15049.29  385.494 15439.59  402.336  486.455   6.2402  492.698   6.4303 -6.243591 8.960387 
1 1 1  -35    1    6 o  173.786   4.6432  1920.30  102.396  1818.58  143.266  2026.52  146.404  169.078   6.6723  178.494   6.4588 -9.415375 9.286328 
1 1 1  -35    1    7 o  408.086   4.0633 10590.00  210.565 10658.31  297.013 10520.99  298.561  409.412   5.7126  406.759   5.7799 2.652863 8.126579 
1 1 1  -35    1    8 o   82.404   9.5074  442.164   97.043  411.374  138.754  471.644  135.773   78.925   14.373   85.883   12.449 -6.958931 19.01489 
1 1 1  -35    1    9 o   94.346   7.7564  567.100   92.794  611.733  134.561  526.628  128.136   97.884   10.825   90.807   11.112 7.077126 15.51283 
1 1 1  -35    1   10 o  115.100   6.9490  844.712  101.509  832.624  140.711  857.830  146.581  114.248   9.6984  115.951   9.9546 -1.702141 13.89796 
1 1 1  -35    1   11 o  151.673   5.8024  1470.73  111.366  1352.81  159.391  1583.21  155.667  145.686   8.6153  157.660   7.7750 -11.97429 11.60485 
1 1 1  -35    1   12 o  217.513   4.4932  3002.70  123.922  3154.82  181.540  2869.98  169.575  222.653   6.4205  212.374   6.2876 10.27924 8.986437 
1 1 1  -35    1   13 o  245.756   4.3356  3842.61  135.295  3881.27  193.141  3805.37  189.581  246.967   6.1583  244.545   6.1046 2.422180 8.671252 
1 1 1  -35    1   14 o   49.503   12.999  124.173  107.830  119.735  167.877  127.290  140.690   50.361   19.088   48.645   17.651 1.715897 25.99846 
1 1 1  -35    1   15 o  133.029   6.9988  1125.32  117.903  1208.71  174.916  1055.88  159.613  137.512   10.016  128.545   9.7777 8.967148 13.99751 
1 1 1  -35    1   16 o   98.654   9.2348  621.483  115.279  697.515  170.560  557.539  156.415  104.188   12.891   93.120   13.227 11.06802 18.46953 
1 1 1  -35    1   17 o  118.085   8.1036  899.035  120.877  812.589  173.617  980.357  168.395  112.472   12.155  123.697   10.720 -11.22466 16.20712 
1 1 1  -35    1   18 o   54.082   13.724  136.384  127.232   19.854  173.295  272.652  187.398   43.550   18.353   64.614   20.411 -21.06443 27.44864 
1 1 1  -35    1   19 o   44.681   13.159   17.917  128.702  107.534  175.006 -87.6407  189.933   49.723   19.323   39.639   17.866 10.08413 26.31714 
1 1 1  -35    1   20 o   68.921   13.422  322.773  123.492  401.449  173.680  242.327  175.622   76.698   18.120   61.144   19.807 15.55364 26.84462 
1 1 1  -35    1   21 o   44.590   13.104   19.743  127.790  114.542  174.626 -89.5564  187.505   50.050   19.343   39.130   17.684 10.91979 26.20841 
1 1 1  -35    1   22 o   43.822   13.737 -60.6314  152.469 -106.8106  211.399 -10.5670  220.112   41.094   18.654   46.550   20.171 -5.455711 27.47416 
1 1 1  -35    1   23 o   44.116   13.803 -49.8277  152.924 -74.9735  219.418 -26.0757  213.250   43.289   19.382   44.944   19.659 -1.654274 27.60652 
1 1 1  -35    1   24 o   51.842   15.301   63.694  168.680   3.6866  254.973  110.397  224.940   50.230   21.737   53.454   21.541 -3.224663 30.60291 
1 1 1  -35    1   25 o   53.484   15.486 -28.1573  190.185 -318.8833  261.517  298.204  277.082   38.859   18.606   68.109   24.762 -29.24971 30.97288 
1 1 1  -35    1   26 o   60.799   15.871  208.162  177.780 -13.4933  273.086  371.195  234.207   49.986   22.043   71.611   22.839 -21.62553 31.74148 
1 1 1  -35    1   27 o   32.378   11.044 -214.4482  126.338 -137.3521  147.297 -429.0134  245.730   30.903   14.551   33.853   16.619 -2.949856 22.08854 
1 1 1  -35    1   28 o  ?   ?  -932.7388  127.377 -736.5569  142.593 -1707.5760  283.384  ?   ?   ?   ?       ?      ? 
1 1 1  -35    1   29 o   27.765   9.9474 -454.0666  134.167 -677.5615  281.210 -388.1994  152.662   31.751   15.938   23.778   11.908 7.973240 19.89483 
1 1 1  -35    1   30 o   50.574   22.348  107.351  282.093   0.0000   0.0000  107.351  282.093  ?   ?    50.574   22.348      ?      ? 
1 1 1  -35    3    1 o  244.748   3.6212  3802.70  112.154  3746.50  151.849  3870.15  166.363  242.773   4.9253  246.724   5.3097 -3.951462 7.242324 
1 1 1  -35    3    2 o  237.302   3.6486  3577.63  109.668  3549.40  149.518  3610.50  161.342  236.299   4.9826  238.305   5.3313 -2.005981 7.297215 
1 1 1  -35    3    3 f  204.561   4.1685  2664.14  107.618  2689.07  144.739  2633.31  160.934  205.651   5.5421  203.471   6.2283 2.179810 8.337059 
1 1 1  -35    3    4 o  349.139   3.8608  7737.20  170.904  7533.11  233.964  7970.68  250.245  344.220   5.3522  354.058   5.5656 -9.837616 7.721562 
1 1 1  -35    3    5 o  182.717   4.5153  2123.97  104.761  2102.14  148.714  2145.48  147.601  181.782   6.4420  183.653   6.3287 -1.870483 9.030633 
1 1 1  -35    3    6 o  235.008   4.1101  3497.41  122.135  3362.79  164.020  3664.96  182.983  229.966   5.6164  240.051   6.0025 -10.08504 8.220290 
1 1 1  -35    3    7 o  172.183   4.8108  1885.33  105.049  1751.44  146.598  2026.65  150.606  165.895   6.9585  178.471   6.6450 -12.57582 9.621696 
1 1 1  -35    3    8 o  451.145   6.2500 12947.72  358.073   0.0000   0.0000 12947.72  358.073  ?   ?   451.145   6.2500      ?      ? 
1 1 1  -35    3    9 o   27.834   9.4103 -182.2500   92.281 -144.6143  140.846 -210.5577  122.151   30.587   14.347   25.081   12.181 5.506887 18.82062 
1 1 1  -35    3   10 o   52.005   12.329  162.079   95.631  187.074  143.507  142.115  128.259   54.817   17.913   49.194   16.944 5.622189 24.65719 
1 1 1  -35    3   11 o  347.969   4.0457  7696.54  178.557  7598.69  245.797  7805.87  259.822  345.642   5.5998  350.296   5.8407 -4.654114 8.091419 
1 1 1  -35    3   12 o  200.712   4.5783  2554.78  116.481  2379.75  159.405  2755.32  170.625  193.361   6.4916  208.063   6.4576 -14.70197 9.156511 
1 1 1  -35    3   13 f  248.033   4.2863  3907.23  134.434  3833.50  181.147  3997.63  200.571  245.456   5.8114  250.610   6.3022 -5.154007 8.572625 
1 1 1  -35    3   14 o  281.101   4.4262  5024.39  157.568  4955.47  214.330  5105.44  232.439  279.029   6.0486  283.172   6.4637 -4.143005 8.852403 
1 1 1  -35    3   15 o   39.083   11.923 -14.2220  108.040 -36.0202  151.352   8.4261  154.275   37.516   16.482   40.650   17.233 -3.133884 23.84599 
1 1 1  -35    3   16 o  243.161   4.8300  3766.13  149.111  3700.17  208.012  3835.84  213.857  240.977   6.7973  245.346   6.8638 -4.369598 9.660004 
1 1 1  -35    3   17 o  162.573   6.1441  1667.94  126.018  1946.42  190.051  1449.43  168.350  174.547   8.5739  150.599   8.8026 23.94826 12.28814 
1 1 1  -35    3   18 o  115.301   8.4689  846.328  123.344  963.514  185.642  753.711  165.039  122.374   11.946  108.227   12.008 14.14780 16.93786 
1 1 1  -35    3   19 o   49.356   13.947   74.519  137.294 -33.9466  205.829  161.461  184.279   44.077   19.296   54.636   20.143 -10.55883 27.89395 
1 1 1  -35    3   20 o  156.090   6.3941  1560.44  126.674  1635.54  181.151  1488.58  177.203  159.781   8.9276  152.399   9.1561 7.382187 12.78816 
1 1 1  -35    3   21 o  342.832   6.6845  7503.73  291.025   0.0000   0.0000  7503.73  291.025  ?   ?   342.832   6.6845      ?      ? 
1 1 1  -35    3   22 o   56.349   13.866  138.113  138.319  352.540  201.581 -52.6715  190.144   71.592   20.882   41.107   18.247 30.48509 27.73121 
1 1 1  -35    3   23 o   45.882   13.889 -20.8969  152.118 -178.3987  226.395  108.736  205.391   39.838   18.522   51.925   20.702 -12.08752 27.77801 
1 1 1  -35    3   24 o   59.419   14.082  238.904  124.187  284.678  145.281  114.713  239.303   64.171   17.393   54.667   22.152 9.503784 28.16418 
1 1 1  -35    3   25 o   61.605   14.206  148.324  123.653   33.405  142.197  504.757  250.428   40.056   16.736   83.153   22.960 -43.09703 28.41217 
1 1 1  -35    3   26 o   66.727   14.804  304.844  128.758  287.138  150.562  353.042  248.408   63.549   17.896   69.904   23.589 -6.355797 29.60900 
1 1 1  -35    3   27 o   55.733   14.700  201.766  132.650  222.172  154.763  145.272  257.513   56.184   18.614   55.281   22.758 0.9028282 29.40061 
1 1 1  -35    3   28 o  200.822   15.311  3907.97  275.234  498.927  398.935  7004.63  380.218   75.445   29.214  326.199   9.1785 -250.7546 30.62237 
1 1 1  -35    3   29 o   48.289   15.636 -10.5920  209.329 -17.3010  347.452  -6.7693  262.271   50.598   23.321   45.980   20.835 4.618011 31.27208 
1 1 1  -35    3   30 o   46.237   14.722   26.225  183.390  145.801  269.010 -77.5983  250.666   51.131   22.227   41.342   19.310 9.788555 29.44405 
1 1 1  -35    5    1 o  194.256   4.0916  2390.12   99.915  2332.48  131.525  2468.77  153.643  191.520   5.4077  196.993   6.1416 -5.473572 8.183102 
1 1 1  -35    5    2 o  288.192   3.7969  5282.65  138.605  5300.65  189.526  5261.95  203.224  288.735   5.1688  287.649   5.5633 1.086456 7.593897 
1 1 1  -35    5    3 o  292.130   3.7839  5433.69  140.104  5562.43  193.630  5292.23  202.974  295.781   5.1550  288.478   5.5405 7.302826 7.567739 
1 1 1  -35    5    4 o  171.969   4.6251  1906.89   99.328  2054.35  132.356  1716.76  150.288  179.721   5.7992  164.217   7.2066 15.50403 9.250134 
1 1 1  -35    5    5 o  212.158   4.1969  2858.77  112.928  2783.73  155.049  2943.55  164.805  209.203   5.8361  215.112   6.0329 -5.908966 8.393840 
1 1 1  -35    5    6 o   59.519   11.846  232.816   93.751  198.016  129.775  270.800  135.583   55.346   16.907   63.691   16.596 -8.345112 23.69120 
1 1 1  -35    5    7 o   70.272   10.025  331.767   87.070  399.821  118.525  251.991  128.328   79.066   11.804   61.477   16.207 17.58847 20.05023 
1 1 1  -35    5    8 o  427.615   4.3006 11635.79  233.100 11670.74  320.258 11596.41  339.928  428.325   5.8877  426.906   6.2702 1.419098 8.601185 
1 1 1  -35    5    9 o  246.526   4.1603  3867.54  130.093  3891.51  179.986  3841.32  188.250  247.338   5.7302  245.714   6.0329 1.624237 8.320528 
1 1 1  -35    5   10 o   34.698   10.635 -45.1663   90.251 -124.9596  123.640   45.841  132.043   28.748   13.471   40.648   16.461 -11.90047 21.27000 
1 1 1  -35    5   11 o  120.933   6.8338  919.992  104.034  774.678  138.531  1107.94  157.549  110.127   9.9055  131.739   9.4172 -21.61237 13.66757 
1 1 1  -35    5   12 o  212.876   4.6221  2896.08  123.938  2978.33  166.430  2793.69  185.698  216.322   6.0583  209.429   6.9822 6.893387 9.244159 
1 1 1  -35    5   13 o  218.460   4.5470  3041.48  125.863  3080.62  172.929  2997.39  183.538  219.979   6.1903  216.942   6.6620 3.036392 9.094048 
1 1 1  -35    5   14 o   85.970   10.271  483.591  106.730  662.431  157.852  332.975  144.861  101.590   12.236   70.351   16.500 31.23899 20.54164 
1 1 1  -35    5   15 o  142.518   6.4959  1295.22  117.360  1346.94  172.273  1250.43  160.315  145.151   9.3459  139.886   9.0245 5.264969 12.99177 
1 1 1  -35    5   16 o  121.918   7.6071  957.045  117.138  908.020  172.137  999.326  159.859  118.925   11.398  124.911   10.078 -5.985962 15.21417 
1 1 1  -35    5   17 o   93.263   10.930  562.550  125.869  646.925  194.711  501.979  164.973   99.831   15.358   86.695   15.556 13.13559 21.86024 
1 1 1  -35    5   18 o   70.370   20.277  171.041  176.330  157.097  184.240  323.049  608.303   54.279   20.116   86.460   35.213 -32.18110 40.55377 
1 1 1  -35    5   19 o   38.247   12.036 -55.1013  117.714 -47.0356  169.615 -62.5958  163.499   39.050   17.288   37.443   16.750 1.606304 24.07199 
1 1 1  -35    5   20 o  312.116   6.6866  6219.15  265.034  6219.15  265.034   0.0000   0.0000  312.116   6.6866  ?   ?       ?      ? 
1 1 1  -35    5   21 o   30.481   10.340 -221.4236  114.798 -104.9164  134.439 -535.0712  220.581   31.150   14.409   29.813   14.833 1.336845 20.67936 
1 1 1  -35    5   22 o   89.668   11.419  520.121  114.849  495.552  135.004  584.477  218.498   87.403   12.163   91.932   19.329 -4.529762 22.83730 
1 1 1  -35    5   23 o   71.390   11.565  170.319  117.976 -34.2100  136.545  772.644  234.322   35.121   15.532  107.658   17.139 -72.53705 23.13012 
1 1 1  -35    5   24 o   44.917   12.070   68.094  112.201  199.274  137.405 -194.4159  194.375   54.604   17.502   35.229   16.627 19.37502 24.14051 
1 1 1  -35    5   25 o   78.549   12.409  509.257  123.704  655.460  149.301  189.102  220.936   99.872   11.772   57.225   21.848 42.64677 24.81767 
1 1 1  -35    5   26 o   44.868   14.259 -56.0276  167.420   14.107  259.369 -106.1218  219.202   49.198   21.596   40.538   18.625 8.659420 28.51739 
1 1 1  -35    5   27 o   32.603   11.474 -536.8723  175.561 -344.6655  271.127 -675.6477  230.380   37.623   18.244   27.583   13.920 10.04053 22.94758 
1 1 1  -35    5   28 o   30.000   10.679 -690.0527  185.149 -588.9858  259.110 -795.4935  264.658   31.225   15.619   28.774   14.567 2.451181 21.35776 
1 1 1  -35    5   29 o   36.761   12.516 -227.6274  172.741 -226.2696  241.859 -229.0413  246.802   36.591   17.616   36.931   17.784 -0.3405495 25.03171 
1 1 1  -35    5   30 o   36.656   12.526 -209.4443  163.633 -65.4609  275.061 -288.3120  203.574   42.467   19.961   30.845   15.139 11.62235 25.05227 
1 1 1  -35    7    1 o  394.575   4.0319  9904.30  201.499  9896.00  275.139  9913.90  295.920  394.424   5.4930  394.726   5.9034 -0.3013306 8.063703 
1 1 1  -35    7    2 o  166.911   7.2789  1774.51  154.288   0.0000   0.0000  1774.51  154.288  ?   ?   166.911   7.2789      ?      ? 
1 1 1  -35    7    3 o   92.337   7.6736  576.239   84.819  686.116  110.696  419.991  132.003  103.735   8.4028   80.938   12.843 22.79707 15.34729 
1 1 1  -35    7    4 o  149.643   5.0010  1421.31   94.577  1380.53  126.873  1472.31  141.887  147.253   6.7847  152.033   7.3490 -4.780304 10.00197 
1 1 1  -35    7    5 o  128.870   5.5956  1031.80   90.400  860.391  117.839  1276.94  140.924  116.186   7.9865  141.554   7.8395 -25.36777 11.19114 
1 1 1  -35    7    6 o  137.951   5.3534  1200.61   93.312  1066.17  125.251  1368.29  139.885  129.354   7.6247  146.547   7.5165 -17.19308 10.70675 
1 1 1  -35    7    7 o  155.363   5.4028  1540.31  106.435  1622.66  149.610  1455.93  151.450  159.592   7.3819  151.135   7.8909 8.457428 10.80556 
1 1 1  -35    7    8 o   98.700   7.9718  621.449   99.699  567.584  136.992  682.106  145.373   94.155   11.457  103.245   11.088 -9.089684 15.94361 
1 1 1  -35    7    9 o  132.460   5.9327  1117.65   99.609  1095.28  136.192  1143.39  146.063  131.051   8.1834  133.868   8.5918 -2.817078 11.86537 
1 1 1  -35    7   10 f   96.447   7.9694  590.008   97.033  510.646  130.732  687.360  144.794   89.276   11.531  103.619   11.004 -14.34332 15.93872 
1 1 1  -35    7   11 o  120.288   6.8671  926.082  104.066  934.607  139.068  915.234  156.880  120.970   9.0526  119.605   10.329 1.364883 13.73418 
1 1 1  -35    7   12 o  152.715   5.6798  1488.35  109.680  1491.67  148.509  1484.37  162.680  152.936   7.6465  152.493   8.4005 0.4435120 11.35951 
1 1 1  -35    7   13 o   48.252   12.277   97.650  104.067  224.865  152.614 -12.9118  142.275   58.853   18.394   37.650   16.266 21.20350 24.55445 
1 1 1  -35    7   14 o  134.436   6.7338  1155.98  114.865  1223.51  164.330  1091.47  160.621  138.292   9.3571  130.581   9.6860 7.709961 13.46752 
1 1 1  -35    7   15 o  104.698   8.8416  710.662  116.442  820.067  164.459  600.685  164.888  112.950   11.465   96.446   13.463 16.50388 17.68324 
1 1 1  -35    7   16 o   64.187   11.073  202.868  118.937  556.995  176.927 -89.1043  160.652   92.597   15.046   35.778   16.249 56.81865 22.14507 
1 1 1  -35    7   17 o   63.583   12.541  254.077   99.641  215.119  120.248  339.434  177.992   56.636   16.008   70.529   19.308 -13.89260 25.08121 
1 1 1  -35    7   18 o   54.498   13.540  170.127  107.414  160.374  126.539  195.279  203.197   50.578   16.835   58.419   21.210 -7.840725 27.07929 
1 1 1  -35    7   19 o  144.765   11.012  1809.24  172.503  3790.41  247.508 -62.1382  240.552  243.325   8.0098   46.204   20.516 197.1211 22.02394 
1 1 1  -35    7   20 o   47.930   13.188  107.290  110.386  135.452  130.030   34.632  208.861   48.070   17.025   47.789   20.144 0.2813454 26.37504 
1 1 1  -35    7   21 o   50.833   12.858  149.524  112.639  227.658  134.122 -37.4797  207.495   58.006   17.066   43.661   19.236 14.34513 25.71544 
1 1 1  -35    7   22 f   62.104   13.768  267.347  118.009  295.043  141.246  203.324  214.754   65.314   16.900   58.895   21.739 6.418583 27.53566 
1 1 1  -35    7   23 o   74.198   12.887  376.154  110.964  364.079  130.086  408.410  212.612   72.954   14.551   75.443   21.273 -2.488586 25.77378 
1 1 1  -35    7   24 o  116.434   10.831  895.457  158.125  1029.87  248.920  804.520  204.742  123.358   15.890  109.509   14.722 13.84853 21.66174 
1 1 1  -35    7   25 o   47.214   15.509 -108.2025  186.773 -61.8185  389.681 -122.0360  212.810   55.214   25.165   39.213   18.136 16.00169 31.01877 
1 1 1  -35    7   26 o   29.697   14.842 -885.0453  159.852 -549.0529  231.694 -1190.2560  220.826   29.697   14.842  ?   ?       ?      ? 
1 1 1  -35    7   27 o   30.134   10.642 -538.9788  167.874 -664.6425  245.486 -428.5909  230.082   28.841   14.531   31.428   15.551 -2.587109 21.28356 
1 1 1  -35    7   28 o   54.860   15.158  200.520  173.066 -56.2434  271.794  375.622  224.450   44.015   20.405   65.706   22.421 -21.69165 30.31660 
1 1 1  -35    7   29 o   39.581   13.243 -139.0511  182.504 -339.3899  279.141   10.524  241.196   36.000   17.681   43.162   19.721 -7.161846 26.48602 
1 1 1  -35    9    1 o  272.644   3.8694  4701.00  132.362  4549.49  172.992  4914.97  205.574  267.418   5.0940  277.870   5.8257 -10.45178 7.738717 
1 1 1  -35    9    2 o  282.253   4.0154  5079.74  141.580  5123.04  184.756  5018.14  220.367  283.774   5.1268  280.732   6.1813 3.042694 8.030710 
1 1 1  -35    9    3 o   79.084   9.5093  454.785   86.256  622.364  114.572  235.541  131.049   98.703   9.1405   59.465   16.678 39.23837 19.01865 
1 1 1  -35    9    4 o   99.279   7.2635  615.760   90.310  544.304  116.496  723.379  142.966   92.255   9.9436  106.302   10.590 -14.04745 14.52696 
1 1 1  -35    9    5 o   90.244   8.4023  518.122   95.584  488.950  126.379  557.115  146.110   87.337   11.395   93.150   12.352 -5.812386 16.80463 
1 1 1  -35    9    6 o  109.851   6.9980  786.304   95.746  886.528  129.354  664.851  142.396  117.833   8.6444  101.868   11.007 15.96505 13.99592 
1 1 1  -35    9    7 o  147.660   5.6745  1396.88  104.476  1422.34  136.148  1360.41  162.938  149.375   7.1772  145.945   8.7914 3.430496 11.34903 
1 1 1  -35    9    8 o  186.962   5.0459  2221.37  119.007  2170.51  158.574  2286.95  180.070  184.557   6.7659  189.367   7.4879 -4.809525 10.09187 
1 1 1  -35    9    9 o  154.267   5.6692  1522.79  110.724  1580.11  152.604  1459.06  160.900  157.378   7.6356  151.157   8.3821 6.221329 11.33850 
1 1 1  -35    9   10 o  106.160   7.7545  732.198  103.166  825.085  141.661  627.301  150.541  113.528   9.8258   98.792   11.999 14.73513 15.50899 
1 1 1  -35    9   11 o   78.921   11.056  416.516  105.681  411.989  138.464  422.833  163.564   78.654   14.393   79.188   16.786 -0.5346909 22.11154 
1 1 1  -35    9   12 o   60.300   12.230  241.708   93.173  245.726  110.778  231.992  172.252   60.417   14.601   60.182   19.623 0.2349739 24.45914 
1 1 1  -35    9   13 o   53.744   12.829  173.883   97.014  169.910  114.754  183.836  181.637   51.164   15.944   56.324   20.103 -5.160385 25.65825 
1 1 1  -35    9   14 o   70.344   13.010  345.552  115.968  379.138  144.919  285.746  193.380   74.956   15.726   65.731   20.731 9.225090 26.02085 
1 1 1  -35    9   15 o  161.920   6.1099  1506.43  108.942  1355.29  123.456  2038.21  231.577  145.730   6.6709  178.109   10.238 -32.37885 12.21986 
1 1 1  -35    9   16 o  342.171   8.6637  7501.07  376.462   0.0000   0.0000  7501.07  376.462  ?   ?   342.171   8.6637      ?      ? 
1 1 1  -35    9   17 o   56.169   12.959   54.689  120.963 -117.1777  145.027  447.574  219.272   32.140   14.902   80.199   21.206 -48.05901 25.91828 
1 1 1  -35    9   18 o   38.555   12.137 -40.7038  114.791   0.5086  137.579 -135.1299  208.250   37.611   16.118   39.499   18.149 -1.888248 24.27357 
1 1 1  -35    9   19 o   59.142   13.736  221.650  114.181  205.510  139.648  254.203  198.322   55.745   17.621   62.539   21.077 -6.794300 27.47266 
1 1 1  -35    9   20 o   34.047   11.213 -122.6476  113.344 -81.0431  138.148 -208.3300  198.253   32.733   14.944   35.362   16.720 -2.628712 22.42509 
1 1 1  -35    9   21 o   74.790   13.065  366.281  117.045  312.121  141.241  485.004  209.116   67.001   16.668   82.579   20.125 -15.57777 26.13083 
1 1 1  -35    9   22 o   41.975   13.493 -100.6081  156.609 -37.9838  233.950 -151.4572  210.811   45.501   20.216   38.449   17.875 7.051716 26.98555 
1 1 1  -35    9   23 o  116.687   15.899  1020.05  193.103  976.001  400.872  1033.35  220.354  109.369   28.555  124.005   13.993 -14.63572 31.79886 
1 1 1  -35    9   24 o   42.318   13.590 -150.3737  177.284 -569.0640  296.955   81.497  220.987   35.561   17.609   49.076   20.705 -13.51519 27.18072 
1 1 1  -35    9   25 o  263.494   7.6058  4628.22  241.440  6709.91  359.693  2921.15  325.724  319.493   8.8653  207.495   12.361 111.9976 15.21165 
1 1 1  -35    9   26 o   42.092   13.834 -96.7785  178.196 -45.0627  259.537 -142.9001  245.098   44.323   20.327   39.861   18.769 4.461945 27.66729 
1 1 1  -35    9   27 o   58.058   15.344  268.213  167.423   73.156  251.534  423.367  224.335   47.273   20.985   68.843   22.392 -21.57039 30.68818 
1 1 1  -35    9   28 o   57.603   24.185  312.836  299.140  312.836  299.140   0.0000   0.0000   57.603   24.185  ?   ?       ?      ? 
1 1 1  -35   11    1 o  307.326   4.2172  5988.11  162.064  5850.98  210.391  6188.21  254.143  303.107   5.4658  311.544   6.4236 -8.436981 8.434335 
1 1 1  -35   11    2 o  188.311   4.8462  2279.30  113.609  2356.50  148.224  2169.36  176.882  192.298   6.0697  184.322   7.5566 7.976013 9.692430 
1 1 1  -35   11    3 o  311.663   4.5934  6250.60  175.162  6418.41  221.636  5971.39  285.887  317.468   5.4975  305.857   7.3603 11.61115 9.186760 
1 1 1  -35   11    4 o   53.314   11.722  186.096   87.045  199.798  111.159  164.375  139.959   54.696   15.367   51.933   17.705 2.763443 23.44439 
1 1 1  -35   11    5 f  171.308   4.9805  1938.61   95.569  2020.43  112.748  1729.81  180.122  178.163   4.9833  164.452   8.6248 13.71066 9.960933 
1 1 1  -35   11    6 f   86.247   9.0843  496.707   82.145  505.849   94.756  469.055  164.798   88.944   8.3890   83.551   16.116 5.393318 18.16865 
1 1 1  -35   11    7 o  200.516   4.5627  2576.70  105.745  2595.30  126.014  2532.43  194.421  201.923   4.9142  199.109   7.6891 2.814301 9.125331 
1 1 1  -35   11    8 o  327.246   4.5116  6745.36  176.294  6589.46  214.208  7072.63  310.358  321.683   5.2436  332.810   7.3432 -11.12698 9.023230 
1 1 1  -35   11    9 o  174.675   5.1594  1957.91  100.912  1968.74  117.843  1928.14  195.399  175.821   5.2778  173.528   8.8670 2.293579 10.31885 
1 1 1  -35   11   10 o   53.167   12.557  140.181   88.839   98.393  101.693  274.842  182.553   41.955   15.035   64.379   20.117 -22.42343 25.11486 
1 1 1  -35   11   11 f   99.113   9.0658  629.606  114.107  629.606  114.107   0.0000   0.0000   99.113   9.0658  ?   ?       ?      ? 
1 1 1  -35   11   12 o  159.375   7.5270  1459.65  143.950  1050.35  174.012  2346.94  256.208  127.750   10.726  191.000   10.563 -63.24986 15.05397 
1 1 1  -35   11   13 o  178.152   11.649  2049.89  263.550   0.0000   0.0000  2049.89  263.550  ?   ?   178.152   11.649      ?      ? 
1 1 1  -35   11   14 o   33.913   11.351 -311.4292  103.169 -412.9591  117.240   36.997  217.188   19.041   9.6457   48.786   20.552 -29.74548 22.70292 
1 1 1  -35   11   15 o   47.720   13.172  103.508  105.645  113.212  122.403   75.169  209.180   45.223   16.455   50.217   20.573 -4.993908 26.34442 
1 1 1  -35   11   16 o  116.099   8.4804  785.125  113.404  678.392  131.416  1096.40  224.426  102.584   10.088  129.613   13.635 -27.02810 16.96078 
1 1 1  -35   11   17 o   82.216   12.063  525.788  115.555  637.559  139.868  285.457  205.096   99.193   11.103   65.239   21.419 33.95441 24.12622 
1 1 1  -35   11   18 o   90.295   11.188  507.100  120.801  404.929  147.371  716.346  210.900   76.856   15.632  103.734   16.010 -26.87815 22.37526 
1 1 1  -35   11   19 o  100.901   10.214  695.573  115.934  715.526  139.707  651.442  207.767  104.912   10.486   96.891   17.531 8.020607 20.42773 
1 1 1  -35   11   20 o   59.946   15.263  223.842  154.143  114.349  221.536  326.597  214.612   52.308   21.271   67.584   21.896 -15.27627 30.52649 
1 1 1  -35   11   21 o   45.529   14.517 -41.0478  169.239 -159.2349  309.597   9.3195  202.109   46.875   21.748   44.183   19.237 2.692478 29.03492 
1 1 1  -35   11   22 o   50.643   14.674   75.519  162.149 -103.0091  231.668  246.970  227.030   41.438   19.078   59.848   22.300 -18.41076 29.34737 
1 1 1  -35   11   23 o  254.672   8.4103  4639.90  250.372  5308.77  315.944  3510.79  410.493  284.334   8.7499  225.010   14.366 59.32419 16.82062 
1 1 1  -35   11   24 o   49.383   14.889  108.092  164.197   8.6857  280.604  159.852  202.482   47.863   21.631   50.903   20.464 -3.039845 29.77740 
1 1 1  -35   11   25 o   49.039   15.137   33.336  175.148  308.363  294.425 -117.2992  217.896   60.344   24.528   37.735   17.746 22.60832 30.27487 
1 1 1  -35   11   26 o   47.918   14.618  125.215  169.144 -123.7237  324.835  217.820  198.123   43.686   20.867   52.150   20.477 -8.464085 29.23590 
1 1 1  -35   13    1 o  132.561   6.8813  1085.45  104.492  1031.39  122.199  1232.49  201.542  126.978   7.5781  138.145   11.488 -11.16735 13.76257 
1 1 1  -35   13    2 o  213.069   5.4485  2780.26  137.729  2576.87  164.723  3252.82  251.087  200.914   6.4560  225.224   8.7787 -24.30920 10.89709 
1 1 1  -35   13    3 o   84.186   18.495  486.422  192.329   0.0000   0.0000  486.422  192.329  ?   ?    84.186   18.495      ?      ? 
1 1 1  -35   13    4 o  121.886   12.723  962.911  196.932   0.0000   0.0000  962.911  196.932  ?   ?   121.886   12.723      ?      ? 
1 1 1  -35   13    5 o   31.673   15.328 -295.3967  188.987   0.0000   0.0000 -295.3967  188.987  ?   ?    31.673   15.328      ?      ? 
1 1 1  -35   13    6 o  162.553   5.8299  1601.22  107.116  1501.66  123.908  1895.69  213.098  153.382   6.3613  171.725   9.7717 -18.34308 11.65986 
1 1 1  -35   13    7 o   33.978   16.160 -478.0260   94.625 -560.3022  109.035 -226.9968  190.454  ?   ?    33.978   16.160      ?      ? 
1 1 1  -35   13    8 o   46.759   12.619   38.823  101.079 -37.8444  119.030  237.067  191.403   32.498   14.431   61.021   20.706 -28.52331 25.23825 
1 1 1  -35   13    9 o   35.718   11.390 -132.3192  107.808 -226.7802  134.286   38.956  180.822   26.238   12.750   45.198   18.878 -18.96033 22.78003 
1 1 1  -35   13   10 o   73.540   11.270  359.556   93.629  356.948  109.222  366.782  181.830   74.277   11.579   72.803   19.339 1.474060 22.54085 
1 1 1  -35   13   11 o   91.072   10.404  544.442  107.636  533.536  128.720  569.797  196.265   90.834   11.159   91.309   17.564 -0.4751968 20.80865 
1 1 1  -35   13   12 o   66.921   13.233  294.943  109.648  272.584  130.902  347.522  200.738   63.054   16.247   70.789   20.893 -7.734726 26.46671 
1 1 1  -35   13   13 o   46.183   13.186   76.634  113.241   75.225  137.307   79.630  200.239   42.993   16.994   49.373   20.166 -6.379749 26.37189 
1 1 1  -35   13   14 o   52.678   12.835  175.467  112.531  255.601  134.559 -10.9701  205.245   60.877   16.838   44.478   19.375 16.39931 25.66939 
1 1 1  -35   13   15 o   61.384   13.842  235.773  116.728  183.824  142.544  341.523  203.376   53.189   17.869   69.579   21.146 -16.38995 27.68499 
1 1 1  -35   13   16 o   42.724   12.592   10.875  108.817 -49.5329  132.015  138.908  192.193   33.334   14.972   52.113   20.250 -18.77840 25.18384 
1 1 1  -35   13   17 o  162.152   6.2140  1674.81  119.232  1625.44  143.579  1784.51  214.013  158.930   7.1139  165.374   10.190 -6.444031 12.42791 
1 1 1  -35   13   18 o   59.838   15.343  237.830  149.677  273.788  224.437  209.028  200.870   62.721   22.351   56.954   21.025 5.766987 30.68545 
1 1 1  -35   13   19 o   68.125   15.298  344.139  161.972  155.814  235.592  512.944  223.049   54.377   21.999   81.872   21.263 -27.49495 30.59516 
1 1 1  -35   13   20 o  136.114   10.973  1089.78  173.560  716.955  204.678  2043.96  327.443  100.906   15.973  171.322   15.050 -70.41595 21.94626 
1 1 1  -35   13   21 o   36.936   12.632 -273.0071  173.975 -274.6465  220.974 -270.3341  282.170   34.150   16.538   39.721   19.099 -5.571228 25.26428 
1 1 1  -35   13   22 o   59.875   15.741  292.160  168.110  146.784  277.103  376.829  211.472   52.865   22.770   66.885   21.740 -14.02032 31.48117 
1 1 1  -35   13   23 f   69.172   16.919  388.641  175.722  693.123  309.853  244.286  213.349   83.178   26.243   55.165   21.364 28.01364 33.83899 
1 1 1  -35   13   24 o   40.575   19.782 -262.4992  330.724 -262.4992  330.724   0.0000   0.0000   40.575   19.782  ?   ?       ?      ? 
1 1 1  -35   15    1 o   90.157   8.5255  475.720   91.344  384.833  108.277  700.074  170.118   76.955   11.080  103.359   12.961 -26.40434 17.05092 
1 1 1  -35   15    2 o   83.886   10.147  472.849   95.994  475.046  114.764  467.731  175.158   85.603   10.557   82.168   17.331 3.434952 20.29346 
1 1 1  -35   15    3 o  189.388   5.2318  2311.80  114.899  2328.34  137.294  2273.16  209.908  190.921   5.6627  187.855   8.7989 3.065506 10.46356 
1 1 1  -35   15    4 o   52.854   12.888  151.677   99.790  103.583  120.048  259.218  179.513   43.780   16.235   61.928   20.021 -18.14728 25.77652 
1 1 1  -35   15    5 o  184.984   5.3842  2281.86  114.933  2419.89  138.955  1982.90  204.498  194.641   5.6216  175.327   9.1846 19.31352 10.76849 
1 1 1  -35   15    6 o   55.568   16.078  210.814  119.926  210.814  119.926   0.0000   0.0000   55.568   16.078  ?   ?       ?      ? 
1 1 1  -35   15    7 o  108.672   8.4197  804.342  102.119  847.650  120.863  696.287  190.913  114.768   8.2927  102.576   14.656 12.19161 16.83933 
1 1 1  -35   15    8 o  120.571   7.8297  956.762  106.437  970.101  125.222  922.035  202.045  122.800   8.0298  118.343   13.444 4.457344 15.65948 
1 1 1  -35   15    9 o   92.200   10.256  568.590  105.738  564.205  125.579  579.272  196.000   93.142   10.617   91.257   17.550 1.884827 20.51143 
1 1 1  -35   15   10 o   71.827   12.346  327.122  108.154  238.717  131.847  508.975  189.100   58.624   16.828   85.031   18.069 -26.40752 24.69158 
1 1 1  -35   15   11 o  167.598   5.8835  1798.70  117.570  1769.82  142.977  1859.03  206.606  166.011   6.7819  169.186   9.6162 -3.174805 11.76709 
1 1 1  -35   15   12 o   53.797   13.046  193.964  104.596  216.151  124.554  140.891  192.641   55.704   16.463   51.890   20.243 3.813873 26.09225 
1 1 1  -35   15   13 o   38.999   12.007 -11.3987  106.331 -44.5223  131.341   51.602  181.137   33.272   14.939   44.725   18.801 -11.45304 24.01398 
1 1 1  -35   15   14 o   96.251   12.070  648.960  144.209  590.961  196.418  716.781  212.402   90.712   17.686  101.790   16.431 -11.07784 24.14088 
1 1 1  -35   15   15 o   69.478   14.291  338.084  137.893  204.661  178.650  534.722  216.882   55.000   19.900   83.955   20.516 -28.95556 28.58211 
1 1 1  -35   15   16 o   67.265   14.664  262.949  171.790 -74.6287  232.167  671.428  255.387   42.198   19.306   92.332   22.079 -50.13441 29.32898 
1 1 1  -35   15   17 o   36.284   12.368 -300.9041  172.006 -144.5651  243.700 -456.1016  242.809   40.312   18.897   32.256   15.963 8.056133 24.73697 
1 1 1  -35   15   18 o   33.321   11.530 -335.6686  160.621 -270.8003  240.878 -387.6044  215.533   35.914   17.362   30.728   15.176 5.185745 23.05976 
1 1 1  -35   15   19 o   52.573   15.018  186.650  159.656   67.585  263.755  255.506  200.577   48.350   21.475   56.796   21.001 -8.445847 30.03653 
1 1 1  -35   15   20 o   81.594   15.422  542.204  159.060  789.183  269.954  410.862  196.862   94.276   22.798   68.912   20.773 25.36459 30.84301 
1 1 1  -35   15   21 o   46.860   14.762   98.200  175.933   47.146  289.779  128.005  221.409   46.634   21.421   47.085   20.317 -0.4508934 29.52326 
1 1 1  -35   17    1 o   32.299   14.809 -73.2072  137.633 -73.2072  137.633   0.0000   0.0000   32.299   14.809  ?   ?       ?      ? 
1 1 1  -35   17    2 o   37.281   16.285  -2.6913  145.913  -2.6913  145.913   0.0000   0.0000   37.281   16.285  ?   ?       ?      ? 
1 1 1  -35   17    3 f  183.916   11.431  2249.74  266.983   0.0000   0.0000  2249.74  266.983  ?   ?   183.916   11.431      ?      ? 
1 1 1  -35   17    4 o   51.595   13.573   57.017  123.404 -78.6162  147.483  373.677  225.348   33.365   15.310   69.825   22.417 -36.45971 27.14627 
1 1 1  -35   17    5 o  133.228   8.0396  1136.41  112.958  1101.82  127.430  1263.25  244.043  130.314   7.7002  136.142   14.116 -5.827957 16.07923 
1 1 1  -35   17    6 o  111.443   10.375  571.481  116.892  376.487  128.079  1543.74  285.996   73.213   14.289  149.673   15.047 -76.46060 20.75003 
1 1 1  -35   17    7 o   59.281   14.002  268.685  117.416  305.032  128.303   81.374  291.264   65.089   15.703   53.474   23.187 11.61448 28.00411 
1 1 1  -35   17    8 o  120.675   9.5347  750.347  110.828  641.641  119.309  1434.45  299.301   98.730   9.5159  142.620   16.525 -43.89016 19.06931 
1 1 1  -35   17    9 o   52.391   23.133 -608.5859  111.023 -712.3152  119.401   53.691  301.702  ?   ?    52.391   23.133      ?      ? 
1 1 1  -35   17   10 o  184.416   15.249  2383.01  357.123   0.0000   0.0000  2383.01  357.123  ?   ?   184.416   15.249      ?      ? 
1 1 1  -35   17   11 o   32.132   11.345 -267.8749  123.273 -251.6829  135.364 -346.5614  298.401   24.883   12.239   39.381   19.106 -14.49798 22.69005 
1 1 1  -35   17   12 o   37.369   12.085 -233.6547  132.915 -453.8288  167.900  135.950  217.538   24.318   12.221   50.419   20.852 -26.10056 24.16979 
1 1 1  -35   17   13 o   67.515   14.959  374.587  147.153  473.972  206.731  272.512  209.509   76.156   20.792   58.873   21.512 17.28307 29.91806 
1 1 1  -35   17   14 o   69.212   15.041  404.523  145.032  390.559  203.525  418.929  206.725   68.033   21.238   70.391   21.303 -2.357521 30.08120 
1 1 1  -35   17   15 o  126.350   10.072  1155.00  160.427  1114.15  238.050  1188.98  217.145  123.234   15.211  129.466   13.207 -6.231972 20.14482 
1 1 1  -35   17   16 o   71.837   15.247  480.502  155.041  374.536  256.442  541.550  194.643   62.909   23.649   80.764   19.250 -17.85529 30.49367 
1 1 1  -35   19    1 o  151.347   8.5547  1530.92  164.420  1530.92  164.420   0.0000   0.0000  151.347   8.5547  ?   ?       ?      ? 
1 1 1  -35   19    2 o  122.163   10.918  1027.56  169.387  1027.56  169.387   0.0000   0.0000  122.163   10.918  ?   ?       ?      ? 
1 1 1  -35   19    3 o   37.092   16.634  -5.0391  162.289  -5.0391  162.289   0.0000   0.0000   37.092   16.634  ?   ?       ?      ? 
1 1 1  -35   19    4 o   85.627   16.270  561.588  170.451  561.588  170.451   0.0000   0.0000   85.627   16.270  ?   ?       ?      ? 
1 1 1  -35   19    5 o   35.091   16.242 -65.0472  171.180 -65.0472  171.180   0.0000   0.0000   35.091   16.242  ?   ?       ?      ? 
1 1 1  -35   19    6 o  174.384   8.7892  2038.64  194.640  2038.64  194.640   0.0000   0.0000  174.384   8.7892  ?   ?       ?      ? 
1 1 1  -35   19    7 o   48.950   18.964  177.173  168.152  177.173  168.152   0.0000   0.0000   48.950   18.964  ?   ?       ?      ? 
1 1 1  -35   19    8 o   49.830   18.934  191.661  165.437  191.661  165.437   0.0000   0.0000   49.830   18.934  ?   ?       ?      ? 
1 1 1  -35   19    9 o   63.857   23.822  404.425  259.224  404.425  259.224   0.0000   0.0000   63.857   23.822  ?   ?       ?      ? 
1 1 1  -34    0    1 o  658.712   5.4826 27587.75  648.400 27587.75  648.400 27587.75  648.400  658.712   7.7536  658.712   7.7536 -0.000000 0.000000 
1 1 1  -34    0    2 o  126.202   5.5605  1023.93  124.909  1023.93  124.909  1023.93  124.909  126.202   7.8638  126.202   7.8638 -0.000000 0.000000 
1 1 1  -34    0    3 o  636.266   5.3474 25737.18  610.855 25737.18  610.855 25737.18  610.855  636.266   7.5624  636.266   7.5624 -0.000000 0.000000 
1 1 1  -34    0    4 o  809.036   6.5729 41628.36  954.754 41628.36  954.754 41628.36  954.754  809.036   9.2956  809.036   9.2956 -0.000000 0.000000 
1 1 1  -34    0    5 o  456.537   4.2932 13248.45  351.866 13248.45  351.866 13248.45  351.866  456.537   6.0715  456.537   6.0715 -0.000000 0.000000 
1 1 1  -34    0    6 o  526.479   4.6746 17620.25  441.843 17620.25  441.843 17620.25  441.843  526.479   6.6109  526.479   6.6109 -0.000000 0.000000 
1 1 1  -34    0    7 o  204.128   4.2922  2654.43  157.039  2654.43  157.039  2654.43  157.039  204.128   6.0701  204.128   6.0701 -0.000000 0.000000 
1 1 1  -34    0    8 o  210.330   4.3794  2818.29  165.102  2818.29  165.102  2818.29  165.102  210.330   6.1934  210.330   6.1934 -0.000000 0.000000 
1 1 1  -34    0    9 o   18.492   9.3063 -189.4570  134.372 -189.4570  134.372 -189.4570  134.372   18.492   13.161   18.492   13.161 -0.000000 0.000000 
1 1 1  -34    0   10 o   24.771   11.485 -19.5795  127.700 -19.5795  127.700 -19.5795  127.700   24.771   16.242   24.771   16.242 -0.000000 0.000000 
1 1 1  -34    0   11 o   24.168   11.453 -52.4062  138.887 -52.4062  138.887 -52.4062  138.887   24.168   16.197   24.168   16.197 -0.000000 0.000000 
1 1 1  -34    0   12 o   28.216   12.675   16.107  140.046   16.107  140.046   16.107  140.046   28.216   17.925   28.216   17.925 -0.000000 0.000000 
1 1 1  -34    0   13 o   64.934   13.511  330.595  136.927  330.595  136.927  330.595  136.927   64.934   19.108   64.934   19.108 -0.000000 0.000000 
1 1 1  -34    0   14 o   27.508   12.517   2.4120  142.046   2.4120  142.046   2.4120  142.046   27.508   17.702   27.508   17.702 -0.000000 0.000000 
1 1 1  -34    0   15 o   35.419   14.466  100.554  148.861  100.554  148.861  100.554  148.861   35.419   20.458   35.419   20.458 -0.000000 0.000000 
1 1 1  -34    0   16 o  229.570   5.0098  3361.49  206.106  3361.49  206.106  3361.49  206.106  229.570   7.0850  229.570   7.0850 -0.000000 0.000000 
1 1 1  -34    0   17 o  160.979   6.7582  1668.13  193.809  1668.13  193.809  1668.13  193.809  160.979   9.5576  160.979   9.5576 -0.000000 0.000000 
1 1 1  -34    0   18 o  117.247   8.6611  906.091  177.820  906.091  177.820  906.091  177.820  117.247   12.249  117.247   12.249 -0.000000 0.000000 
1 1 1  -34    0   19 o   43.113   16.462  172.386  177.534  172.386  177.534  172.386  177.534   43.113   23.281   43.113   23.281 -0.000000 0.000000 
1 1 1  -34    0   20 o   35.928   15.675   67.594  198.259   67.594  198.259   67.594  198.259   35.928   22.168   35.928   22.168 -0.000000 0.000000 
1 1 1  -34    0   21 o   29.264   13.415  -4.4364  167.356  -4.4364  167.356  -4.4364  167.356   29.264   18.972   29.264   18.972 -0.000000 0.000000 
1 1 1  -34    0   23 o   19.142   9.9059 -534.1542  214.661 -534.1542  214.661 -534.1542  214.661   19.142   14.009   19.142   14.009 -0.000000 0.000000 
1 1 1  -34    0   24 o   23.600   11.895 -311.0876  222.635 -311.0876  222.635 -311.0876  222.635   23.600   16.821   23.600   16.821 -0.000000 0.000000 
1 1 1  -34    0   25 o   61.749   19.864  371.532  238.656  371.532  238.656  371.532  238.656   61.749   28.092   61.749   28.092 -0.000000 0.000000 
1 1 1  -34    0   26 f   40.717   17.635  111.419  246.870  111.419  246.870  111.419  246.870   40.717   24.939   40.717   24.939 -0.000000 0.000000 
1 1 1  -34    0   27 o   62.783   20.351  398.654  250.708  398.654  250.708  398.654  250.708   62.783   28.781   62.783   28.781 -0.000000 0.000000 
1 1 1  -34    0   28 o   16.130   8.3427 -362.6815  150.883 -362.6815  150.883 -362.6815  150.883   16.130   11.798   16.130   11.798 -0.000000 0.000000 
1 1 1  -34    0   30 o   28.473   14.295 -311.0028  310.292 -311.0028  310.292 -311.0028  310.292   28.473   20.216   28.473   20.216 -0.000000 0.000000 
1 1 1  -34    2    1 o   78.260   7.7114  393.610   75.768  326.804  107.437  459.714  106.871   71.573   11.820   84.948   9.9067 -13.37493 15.42274 
1 1 1  -34    2    2 o  127.656   5.2770  1027.88   85.125  951.552  113.688  1125.28  128.425  122.311   7.3193  133.000   7.6036 -10.68873 10.55400 
1 1 1  -34    2    3 o  339.906   3.7549  7342.41  162.071  7324.46  227.629  7360.85  230.809  339.487   5.2799  340.325   5.3405 -0.8389282 7.509882 
1 1 1  -34    2    4 o  207.227   4.0978  2730.39  107.807  2772.56  151.414  2687.03  153.531  208.853   5.7088  205.600   5.8802 3.252884 8.195601 
1 1 1  -34    2    5 f  135.409   5.3929  1170.09   92.440  1253.20  129.165  1082.83  132.352  140.366   7.2461  130.452   7.9892 9.914032 10.78580 
1 1 1  -34    2    6 o  274.988   3.8291  4806.83  133.527  4815.12  184.090  4797.63  193.968  275.246   5.2666  274.730   5.5596 0.5156250 7.658126 
1 1 1  -34    2    7 o  319.009   3.8134  6463.25  154.318  6357.11  212.603  6581.44  224.349  316.249   5.2937  321.768   5.4904 -5.518860 7.626796 
1 1 1  -34    2    8 o   48.286   11.405  133.797   85.988   63.597  122.885  201.148  120.365   41.120   16.133   55.451   16.126 -14.33052 22.81003 
1 1 1  -34    2    9 o  126.451   6.2620  1028.88   99.489  879.700  143.236  1167.94  138.292  117.468   9.6019  135.433   8.0408 -17.96441 12.52396 
1 1 1  -34    2   10 o  231.481   4.2063  3407.81  123.649  3423.58  175.403  3392.24  174.335  232.013   5.9531  230.949   5.9442 1.063873 8.412671 
1 1 1  -34    2   11 o   81.308   9.9569  433.120   99.329  347.649  138.819  522.787  142.186   72.212   15.594   90.403   12.385 -18.19047 19.91385 
1 1 1  -34    2   12 o  365.794   4.1781  8505.19  193.961  8349.72  268.658  8674.44  280.317  362.313   5.8390  369.275   5.9775 -6.962524 8.356122 
1 1 1  -34    2   13 o  165.516   5.4674  1748.51  114.658  1808.37  158.660  1683.08  165.882  168.509   7.4143  162.524   8.0372 5.984283 10.93470 
1 1 1  -34    2   14 o  286.367   4.1818  5216.91  151.868  5591.78  216.911  4856.46  212.697  296.471   5.7613  276.262   6.0627 20.20853 8.363527 
1 1 1  -34    2   15 o   67.976   11.328  303.646  105.936  122.681  149.550  485.903  150.083   48.979   18.129   86.973   13.588 -37.99395 22.65625 
1 1 1  -34    2   16 o  135.399   6.7688  1172.06  116.313  1140.69  165.898  1202.38  163.120  133.598   9.7783  137.200   9.3621 -3.602173 13.53754 
1 1 1  -34    2   17 o   34.337   11.154 -124.1164  111.555 -59.2364  164.604 -179.2300  151.710   37.972   16.910   30.701   14.549 7.271345 22.30720 
1 1 1  -34    2   18 o  104.744   9.6585  711.977  127.577  648.813  185.903  768.204  175.398  100.210   14.608  109.278   12.639 -9.067963 19.31698 
1 1 1  -34    2   19 o   49.651   13.498   82.929  127.509  207.103  182.046 -36.6576  178.652   58.447   20.183   40.855   17.928 17.59200 26.99632 
1 1 1  -34    2   20 o   56.587   14.106  183.233  132.802   57.579  206.787  271.438  173.252   49.280   20.352   63.894   19.538 -14.61327 28.21220 
1 1 1  -34    2   21 o   75.487   12.177  379.537  120.365  219.678  166.282  555.498  174.456   58.582   19.289   92.391   14.869 -33.80932 24.35454 
1 1 1  -34    2   22 o  401.209   6.7520 10278.74  344.015   0.0000   0.0000 10278.74  344.015  ?   ?   401.209   6.7520      ?      ? 
1 1 1  -34    2   23 o   83.916   14.164  490.161  149.407  425.978  212.518  552.885  210.089   78.228   20.966   89.603   19.050 -11.37489 28.32787 
1 1 1  -34    2   24 o   46.189   14.426 -76.8775  173.050 -242.4261  256.677   61.075  234.310   40.918   19.249   51.460   21.491 -10.54115 28.85103 
1 1 1  -34    2   25 f   87.738   13.577  627.921  136.014  734.643  157.531  315.347  269.598  106.230   11.677   69.246   24.516 36.98395 27.15475 
1 1 1  -34    2   26 o   82.637   13.299  488.964  125.530  505.746  146.154  441.770  245.098   87.543   13.147   77.731   23.122 9.811676 26.59829 
1 1 1  -34    2   27 o   50.828   13.906  133.935  136.778  229.499  156.720 -171.5220  280.191   57.446   18.717   44.209   20.571 13.23695 27.81174 
1 1 1  -34    2   28 o   47.261   14.585 -78.0254  137.603 -169.5550  154.228  279.177  304.677   30.359   14.468   64.163   25.329 -33.80367 29.16975 
1 1 1  -34    2   29 o   28.970   14.705 -908.5132  281.803   0.0000   0.0000 -908.5132  281.803  ?   ?    28.970   14.705      ?      ? 
1 1 1  -34    2   30 o   53.592   18.518  219.749  153.248   0.0000   0.0000  219.749  153.248  ?   ?    53.592   18.518      ?      ? 
1 1 1  -34    2   31 o   45.116   17.629  139.686  146.278   0.0000   0.0000  139.686  146.278  ?   ?    45.116   17.629      ?      ? 
1 1 1  -34    4    1 o  547.144   4.7773 19043.30  331.832 18953.54  462.824 19138.26  476.018  545.830   6.6770  548.459   6.8344 -2.628540 9.554659 
1 1 1  -34    4    2 o  265.970   3.6996  4497.29  124.818  4506.41  172.589  4487.29  180.731  266.260   5.1042  265.680   5.3567 0.5801392 7.399124 
1 1 1  -34    4    3 o  416.059   4.0508 11002.20  213.870 10903.20  296.230 11109.99  309.094  414.114   5.6329  418.004   5.8228 -3.889893 8.101525 
1 1 1  -34    4    4 o  278.883   3.9224  4943.36  138.059  4932.25  185.151  4957.27  207.193  278.550   5.2342  279.217   5.8433 -0.6669922 7.844749 
1 1 1  -34    4    5 o  222.417   4.0804  3147.13  115.113  3180.76  159.412  3110.49  166.402  223.668   5.6123  221.167   5.9246 2.501129 8.160822 
1 1 1  -34    4    6 o  410.811   4.1590 10731.16  216.950 10676.10  304.161 10788.19  309.537  409.742   5.8454  411.880   5.9179 -2.137665 8.318053 
1 1 1  -34    4    7 o  191.179   4.6491  2324.74  112.725  2315.35  155.353  2335.18  163.819  190.780   6.4122  191.577   6.7335 -0.7969818 9.298217 
1 1 1  -34    4    8 o  149.683   5.4277  1437.75  102.161  1218.45  145.522  1650.86  143.456  138.306   8.2854  161.060   7.0138 -22.75412 10.85544 
1 1 1  -34    4    9 o  231.784   4.2525  3431.40  124.642  3655.51  172.541  3186.81  180.252  239.754   5.6670  223.813   6.3419 15.94052 8.504913 
1 1 1  -34    4   10 o  462.039   6.1724 13581.00  362.167 13581.00  362.167   0.0000   0.0000  462.039   6.1724  ?   ?       ?      ? 
1 1 1  -34    4   11 o   99.926   7.9806  634.316  100.863  681.398  151.174  596.543  135.407  103.232   11.531   96.619   11.036 6.613235 15.96127 
1 1 1  -34    4   12 o   63.135   11.487  259.605  100.312  111.537  140.294  414.482  143.484   47.201   17.542   79.068   14.835 -31.86702 22.97332 
1 1 1  -34    4   13 o  126.184   7.0029  1025.82  109.920  1286.02  157.544  779.009  153.438  141.995   8.7368  110.374   10.947 31.62132 14.00589 
1 1 1  -34    4   14 o   55.831   12.534  192.063  104.530  276.944  146.339  103.637  149.363   64.359   17.461   47.304   17.987 17.05443 25.06840 
1 1 1  -34    4   15 o  142.652   6.2784  1310.43  112.354  1081.61  159.435  1536.16  158.356  130.104   9.6498  155.200   8.0346 -25.09607 12.55678 
1 1 1  -34    4   16 o  219.242   4.8572  3061.32  135.126  2893.96  189.028  3236.22  193.237  213.104   6.9848  225.380   6.7515 -12.27600 9.714421 
1 1 1  -34    4   17 o  186.771   5.8498  2230.69  138.393  2045.23  195.523  2416.89  195.912  178.937   8.6044  194.605   7.9274 -15.66763 11.69954 
1 1 1  -34    4   18 o   75.814   12.964  393.177  126.478  264.561  179.598  519.719  178.144   63.576   19.968   88.051   16.539 -24.47536 25.92793 
1 1 1  -34    4   19 o   56.022   18.001  -9.7164  180.960   17.522  190.715 -255.7401  573.166   45.248   19.171   66.796   30.473 -21.54847 36.00151 
1 1 1  -34    4   20 o   83.224   11.644  473.494  119.012  377.217  178.212  550.994  159.892   74.236   18.865   92.213   13.654 -17.97682 23.28747 
1 1 1  -34    4   22 o   27.141   9.5697 -335.5204  109.937 -303.1604  128.681 -422.9656  211.533   23.159   11.490   31.124   15.307 -7.964790 19.13930 
1 1 1  -34    4   23 o   84.957   11.107  437.291  112.261  340.977  135.598  647.138  200.152   70.763   15.517   99.151   15.896 -28.38797 22.21363 
1 1 1  -34    4   24 o   58.807   14.368  207.459  121.764  184.436  145.023  262.471  224.171   53.645   18.024   63.968   22.380 -10.32296 28.73539 
1 1 1  -34    4   25 o   40.952   12.606  -1.1792  112.867  -0.1757  133.942  -3.6369  209.614   36.762   15.832   45.141   19.622 -8.378887 25.21292 
1 1 1  -34    4   26 o  104.336   10.947  773.494  126.707  825.587  153.317  661.260  225.044  112.364   10.745   96.307   19.075 16.05666 21.89309 
1 1 1  -34    4   27 f   80.618   12.053  570.508  134.727  826.663  165.638   69.710  231.600  111.600   11.687   49.636   21.083 61.96417 24.10562 
1 1 1  -34    4   28 o  122.547   13.935  133.063  182.163 -2022.2660  335.746  1032.23  216.857  ?   ?   122.547   13.935      ?      ? 
1 1 1  -34    4   29 o   36.925   12.787 -378.1583  198.406 -454.2747  315.040 -328.1242  255.423   38.021   18.695   35.828   17.449 2.193115 25.57323 
1 1 1  -34    4   30 o   45.910   14.495   36.160  177.190 -94.2179  267.274  138.395  236.677   42.108   19.755   49.712   21.218 -7.604473 28.99098 
1 1 1  -34    4   31 o   65.207   24.084  436.984  263.660  436.984  263.660   0.0000   0.0000   65.207   24.084  ?   ?       ?      ? 
1 1 1  -34    6    1 o  145.765   4.9569  1339.48   88.950  1301.47  111.991  1404.44  146.402  143.031   6.1656  148.499   7.7633 -5.467789 9.913823 
1 1 1  -34    6    2 o   77.154   8.6941  374.397   84.221  340.562  109.533  423.333  131.728   72.984   11.818   81.325   12.755 -8.341133 17.38822 
1 1 1  -34    6    3 o   91.366   7.0985  530.013   81.606  436.882  111.392  637.903  119.893   82.719   10.604  100.012   9.4399 -17.29240 14.19702 
1 1 1  -34    6    4 o  332.931   3.8723  7015.33  162.683  6770.82  216.581  7331.90  246.435  326.328   5.2262  339.535   5.7153 -13.20721 7.744567 
1 1 1  -34    6    5 o  367.436   5.9754  8587.81  278.823   0.0000   0.0000  8587.81  278.823  ?   ?   367.436   5.9754      ?      ? 
1 1 1  -34    6    6 o  188.097   6.1167  2250.77  146.108  2250.77  146.108   0.0000   0.0000  188.097   6.1167  ?   ?       ?      ? 
1 1 1  -34    6    7 o  232.275   4.1980  3439.56  123.496  3562.89  170.506  3303.46  179.112  236.683   5.6728  227.867   6.1896 8.815796 8.395949 
1 1 1  -34    6    8 o   96.194   7.5057  595.030   91.011  664.234  127.055  522.102  130.429  102.019   9.8069   90.369   11.365 11.64981 15.01138 
1 1 1  -34    6    9 o  135.195   5.8094  1169.94   99.221  1228.81  135.826  1102.58  145.291  138.888   7.7009  131.502   8.7002 7.385925 11.61883 
1 1 1  -34    6   10 o   46.896   12.204  109.801   95.178   85.800  126.171  141.495  144.986   43.420   16.526   50.372   17.963 -6.952423 24.40880 
1 1 1  -34    6   11 o   73.948   10.327  368.905   93.880  443.277  127.352  280.389  138.935   83.189   12.055   64.706   16.770 18.48286 20.65330 
1 1 1  -34    6   12 o  107.596   7.2657  728.233   98.274  602.549  130.723  891.587  149.032   97.067   10.605  118.126   9.9347 -21.05920 14.53142 
1 1 1  -34    6   13 o  164.530   5.5883  1731.31  116.405  1842.82  162.298  1613.18  167.048  170.036   7.5162  159.025   8.2718 11.01021 11.17653 
1 1 1  -34    6   14 o  174.939   5.5859  1953.13  123.653  1966.03  168.227  1937.97  182.372  175.602   7.5438  174.276   8.2403 1.326782 11.17189 
1 1 1  -34    6   15 o   59.539   13.499  227.265  115.522  230.109  160.264  224.189  166.670   59.693   18.878   59.384   19.300 0.3087158 26.99703 
1 1 1  -34    6   16 o   44.675   12.876   51.823  115.921   16.107  167.849   84.392  160.286   42.696   18.031   46.654   18.386 -3.957272 25.75217 
1 1 1  -34    6   17 o  124.547   8.2170  1003.37  126.849  1293.34  183.734  739.285  175.342  142.026   10.187  107.067   12.896 34.95932 16.43409 
1 1 1  -34    6   18 o   99.084   8.8124  638.154   99.529  644.432  117.677  622.378  186.545  100.300   9.2387   97.868   15.009 2.432022 17.62486 
1 1 1  -34    6   19 o   32.515   10.466 -107.5399   93.404 -170.7346  118.720  -4.8729  151.321   25.858   12.421   39.172   16.849 -13.31410 20.93279 
1 1 1  -34    6   20 o  325.358   4.6903  6736.40  179.885  6701.01  216.970  6814.21  321.720  324.315   5.2681  326.402   7.7615 -2.087311 9.380542 
1 1 1  -34    6   21 o   47.215   13.148   48.758  113.403 -23.9146  138.028  199.706  198.929   36.122   15.807   58.309   21.014 -22.18707 26.29597 
1 1 1  -34    6   22 o   52.826   12.750  171.709  115.669  270.896  135.889 -89.1962  220.392   62.925   16.720   42.727   19.253 20.19746 25.50021 
1 1 1  -34    6   23 o   72.650   12.855  348.673  114.081  301.188  140.659  439.953  195.018   66.071   16.743   79.229   19.512 -13.15802 25.71075 
1 1 1  -34    6   24 o   86.427   12.260  467.677  120.392  392.647  141.678  662.625  228.372   75.656   15.272   97.197   19.183 -21.54023 24.52003 
1 1 1  -34    6   25 o   88.465   11.672  577.485  118.807  658.713  147.532  427.621  200.393  100.163   11.599   76.768   20.260 23.39525 23.34492 
1 1 1  -34    6   26 o   60.108   17.610  188.330  204.011 -35.9414  453.328  245.286  228.453   59.659   27.172   60.558   22.408 -0.8993568 35.21973 
1 1 1  -34    6   27 o   31.265   15.615 -871.4719  171.799 -586.1059  254.538 -1110.2410  232.831   31.265   15.615  ?   ?       ?      ? 
1 1 1  -34    6   28 o   31.511   11.114 -543.6492  179.511 -547.5400  260.336 -540.1224  247.857   32.009   15.956   31.014   15.477 0.9952679 22.22884 
1 1 1  -34    6   29 o   42.168   13.589 -61.2659  168.556 -246.8188  246.565  101.528  230.949   36.421   17.597   47.916   20.712 -11.49435 27.17809 
1 1 1  -34    6   30 o   46.037   14.751 -44.4370  192.144  291.344  296.870 -286.5054  252.062   57.059   24.032   35.014   17.114 22.04544 29.50286 
1 1 1  -34    8    1 o   78.729   9.2461  444.672   83.114  569.482  108.268  265.574  129.695   94.469   9.0247   62.988   16.140 31.48184 18.49213 
1 1 1  -34    8    2 o  229.155   3.9657  3356.87  112.948  3422.99  146.268  3259.20  177.766  232.011   4.9644  226.299   6.1857 5.711487 7.931436 
1 1 1  -34    8    3 o  191.459   4.4001  2325.50  104.786  2296.70  134.795  2369.49  166.580  190.009   5.5863  192.910   6.7997 -2.901077 8.800162 
1 1 1  -34    8    4 o  209.906   4.2313  2802.69  111.534  2797.04  147.092  2810.33  171.076  209.691   5.5237  210.122   6.4112 -0.4311676 8.462569 
1 1 1  -34    8    5 o  183.619   4.5970  2135.55  106.564  2053.25  142.064  2241.44  161.141  179.613   6.2283  187.625   6.7630 -8.011673 9.194000 
1 1 1  -34    8    6 o  130.242   5.8023  1084.62   95.672  1166.75  134.127  999.543  136.507  135.302   7.8061  125.183   8.5868 10.11871 11.60469 
1 1 1  -34    8    8 o  102.956   7.3471  667.387   94.952  541.216  126.622  829.497  143.527   91.976   10.841  113.936   9.9196 -21.96036 14.69416 
1 1 1  -34    8    9 o  143.022   5.7739  1305.26  103.934  1309.65  138.209  1299.56  157.678  143.342   7.5925  142.703   8.7009 0.6388092 11.54777 
1 1 1  -34    8   10 f  136.043   6.1199  1183.61  105.342  1212.17  143.993  1150.73  154.515  137.846   8.2257  134.240   9.0638 3.606247 12.23989 
1 1 1  -34    8   11 o  134.840   6.4794  1154.53  110.430  1093.81  147.788  1231.28  166.167  130.874   8.8921  138.806   9.4267 -7.931854 12.95887 
1 1 1  -34    8   12 o  126.317   9.8365  1020.68  157.791   0.0000   0.0000  1020.68  157.791  ?   ?   126.317   9.8365      ?      ? 
1 1 1  -34    8   13 o  116.908   7.3120  876.573  108.408  845.109  155.528  906.305  151.187  114.833   10.665  118.984   10.006 -4.150902 14.62392 
1 1 1  -34    8   14 o   66.462   11.319  275.871   92.344  209.100  114.671  399.057  155.754   55.957   15.568   76.966   16.435 -21.00968 22.63812 
1 1 1  -34    8   15 o   59.869   12.378  240.828  103.817  312.610  139.358  151.309  155.625   67.977   16.344   51.761   18.594 16.21587 24.75640 
1 1 1  -34    8   16 o   83.955   9.7204  436.016   98.488  362.152  121.920  574.742  167.085   73.724   13.521   94.187   13.969 -20.46320 19.44077 
1 1 1  -34    8   17 o   43.715   12.366   68.693   97.450   70.478  116.451   64.522  178.007   40.637   15.771   46.794   19.052 -6.156754 24.73251 
1 1 1  -34    8   18 o  156.753   7.0266  1272.77  122.824  692.898  144.012  2820.04  235.242  103.730   10.932  209.776   8.8304 -106.0456 14.05321 
1 1 1  -34    8   19 o  103.847   10.413  677.206  127.369  635.240  151.790  777.071  234.155   99.088   12.063  108.606   16.977 -9.518883 20.82643 
1 1 1  -34    8   20 o   86.593   11.901  466.111  117.094  400.623  138.128  633.370  220.748   77.106   14.642   96.079   18.765 -18.97384 23.80167 
1 1 1  -34    8   21 o   39.317   11.943 -11.2457  111.465   69.481  137.563 -165.5748  190.202   42.619   16.958   36.015   16.822 6.604076 23.88590 
1 1 1  -34    8   22 o   45.945   13.187   67.176  115.436   44.274  143.088  109.866  195.359   41.102   16.947   50.788   20.208 -9.686325 26.37403 
1 1 1  -34    8   23 o   77.527   13.309  412.170  124.280  381.390  152.237  473.668  215.187   73.965   16.613   81.088   20.797 -7.122658 26.61783 
1 1 1  -34    8   24 o   88.913   13.982  564.494  153.237  663.395  232.251  488.249  203.921   95.884   19.732   81.942   19.814 13.94259 27.96313 
1 1 1  -34    8   25 f   43.044   14.838 -535.3452  193.320   71.960  400.944 -719.2980  220.665   59.891   26.545   26.198   13.267 33.69273 29.67563 
1 1 1  -34    8   26 o  156.611   13.006  1914.54  195.068  462.224  261.150  3747.58  293.390   75.038   24.137  238.183   9.6997 -163.1453 26.01277 
1 1 1  -34    8   27 o   42.012   13.788 -112.7218  177.078   1.9037  259.601 -212.4632  242.160   46.355   20.891   37.668   18.000 8.686115 27.57589 
1 1 1  -34    8   28 o   56.544   15.014  236.971  168.806 -34.4666  268.430  414.539  217.109   44.291   20.443   68.797   21.995 -24.50600 30.02843 
1 1 1  -34    8   29 o   55.771   16.452  268.706  192.941  318.518  288.689  228.496  259.378   58.176   24.038   53.365   22.469 4.811264 32.90406 
1 1 1  -34   10    1 o  145.349   8.2237  1348.45  151.794   0.0000   0.0000  1348.45  151.794  ?   ?   145.349   8.2237      ?      ? 
1 1 1  -34   10    2 o  161.606   5.2901  1672.15  106.668  1703.33  139.213  1627.83  165.999  163.505   6.7046  159.706   8.1848 3.798492 10.58025 
1 1 1  -34   10    3 o  253.480   4.0924  4082.58  129.776  4046.78  169.195  4133.75  202.263  252.186   5.2831  254.774   6.2515 -2.587662 8.184884 
1 1 1  -34   10    4 o  273.684   4.2166  4760.11  143.794  4723.81  185.848  4814.26  226.971  272.456   5.3714  274.912   6.5013 -2.456299 8.433155 
1 1 1  -34   10    5 o  157.440   5.0627  1570.84   99.757  1527.76  129.660  1633.33  156.162  154.857   6.5932  160.022   7.6845 -5.165634 10.12535 
1 1 1  -34   10    6 o  162.665   5.2778  1709.24  107.103  1828.90  142.024  1551.46  163.083  169.428   6.6008  155.902   8.2372 13.52631 10.55568 
1 1 1  -34   10    7 o  155.294   5.8205  1509.98  112.861  1388.96  144.686  1698.03  180.365  147.551   7.7216  163.038   8.7114 -15.48734 11.64094 
1 1 1  -34   10    8 o   29.667   9.5276 -82.5171   82.240   1.4082   98.799 -271.8690  148.402   32.292   13.744   27.041   13.198 5.250715 19.05513 
1 1 1  -34   10    9 o  199.281   4.6106  2492.14  105.437  2442.18  124.193  2621.12  199.533  195.908   4.9919  202.655   7.7532 -6.746628 9.221220 
1 1 1  -34   10   10 o   60.063   11.626  229.626   86.851  203.771  105.422  284.245  153.224   55.161   14.760   64.966   17.968 -9.805073 23.25278 
1 1 1  -34   10   11 o   32.034   10.480 -85.5201   88.723 -75.3784  103.415 -113.8021  172.695   27.802   12.780   36.266   16.614 -8.464384 20.96059 
1 1 1  -34   10   12 o   66.637   13.841  297.569  113.296  297.569  113.296   0.0000   0.0000   66.637   13.841  ?   ?       ?      ? 
1 1 1  -34   10   13 o   68.811   11.536  345.653   96.594  399.161  114.774  215.734  178.842   78.739   11.478   58.882   20.015 19.85672 23.07236 
1 1 1  -34   10   14 o  205.836   5.0315  2582.00  116.442  2450.85  134.552  2973.18  232.383  196.146   5.4017  215.526   8.4904 -19.37978 10.06307 
1 1 1  -34   10   15 o   55.099   13.698  170.353  108.701  154.401  127.152  213.666  209.521   49.975   16.877   60.224   21.581 -10.24939 27.39653 
1 1 1  -34   10   16 o  195.515   10.543  2461.50  261.777   0.0000   0.0000  2461.50  261.777  ?   ?   195.515   10.543      ?      ? 
1 1 1  -34   10   17 o   56.383   11.965   1.5127  114.496 -203.1791  135.717  506.883  213.250   27.267   13.145   85.499   19.997 -58.23204 23.93027 
1 1 1  -34   10   18 o   66.882   13.089  246.531  115.477  127.096  139.109  511.253  207.102   47.903   17.525   85.861   19.445 -37.95768 26.17739 
1 1 1  -34   10   19 f  163.271   6.3603  1736.20  128.255  1817.22  165.636  1614.89  202.678  168.359   7.7471  158.183   10.090 10.17654 12.72069 
1 1 1  -34   10   20 o   84.768   11.233  466.153  116.646  342.063  150.676  651.758  184.277   70.184   17.070   99.352   14.606 -29.16797 22.46542 
1 1 1  -34   10   21 o   77.242   13.275  393.137  121.999  336.295  146.795  520.075  219.368   69.359   16.836   85.125   20.531 -15.76611 26.55080 
1 1 1  -34   10   22 o   58.887   15.351  203.141  170.483 -118.5289  304.575  349.907  205.732   48.333   22.113   69.442   21.300 -21.10863 30.70289 
1 1 1  -34   10   23 o   78.805   16.370  502.396  176.806  342.083  320.835  572.315  211.883   69.296   26.359   88.313   19.421 -19.01656 32.74098 
1 1 1  -34   10   24 o   32.790   11.290 -353.1598  154.930 -186.5300  209.275 -555.2352  230.461   36.075   17.094   29.506   14.755 6.569174 22.58073 
1 1 1  -34   10   25 o   42.695   13.675 -128.8047  172.334 -384.9828  243.748  127.245  243.687   33.742   16.562   51.649   21.764 -17.90680 27.34907 
1 1 1  -34   10   26 o   38.283   12.943 -242.5225  167.977  -6.8223  275.203 -382.4748  212.063   46.303   21.120   30.263   14.967 16.03963 25.88591 
1 1 1  -34   10   27 o   47.777   13.691 -43.1210  155.956  410.377  241.021 -369.7509  204.548   66.223   23.204   29.332   14.540 36.89175 27.38300 
1 1 1  -34   12    1 o   40.812   11.440   59.326   79.309   51.837   92.130   80.757  155.848   35.857   13.996   45.767   18.100 -9.909931 22.88046 
1 1 1  -34   12    2 o  306.154   4.6229  6008.28  173.963  6101.46  220.864  5855.99  282.349  309.475   5.6198  302.833   7.3418 6.642181 9.245809 
1 1 1  -34   12    3 o  169.818   4.8414  1883.56   93.942  1943.97  111.838  1738.79  173.133  174.742   5.0398  164.894   8.2679 9.847122 9.682883 
1 1 1  -34   12    4 o  141.557   5.5249  1277.66   90.910  1273.48  108.506  1287.49  166.523  141.350   6.0448  141.764   9.2498 -0.4139709 11.04978 
1 1 1  -34   12    5 o  104.887   7.2895  725.485   83.690  745.549   97.194  667.954  164.583  108.074   7.0818  101.700   12.743 6.374207 14.57898 
1 1 1  -34   12    6 o   94.638   8.7307  630.863   82.757  670.952   95.032  505.056  168.349  102.504   7.3005   86.772   15.862 15.73245 17.46148 
1 1 1  -34   12    7 o  216.397   4.3044  2876.52  106.971  2740.79  125.330  3240.70  205.296  207.507   4.7560  225.288   7.1757 -17.78114 8.608744 
1 1 1  -34   12    8 o   46.864   12.164   95.711   86.504   62.842  100.908  186.828  168.009   38.077   14.707   55.651   19.380 -17.57403 24.32876 
1 1 1  -34   12    9 o   66.382   11.557  246.466   87.022  187.880   99.608  435.332  178.845   52.913   14.427   79.850   18.060 -26.93675 23.11475 
1 1 1  -34   12   10 o  102.374   8.8921  640.286  105.796  590.059  124.346  771.969  201.341   95.819   10.219  108.928   14.555 -13.10898 17.78417 
1 1 1  -34   12   11 o  313.935   5.2721  6133.50  199.849  5790.78  244.031  6831.43  348.247  301.252   6.3788  326.617   8.3960 -25.36597 10.54425 
1 1 1  -34   12   12 o  182.034   7.7138  2530.46  144.712  3038.01  173.858  1385.69  261.102  218.186   6.2746  145.882   14.094 72.30464 15.42754 
1 1 1  -34   12   13 o   41.683   12.885 -97.6063  134.734 -234.0361  176.300   93.959  208.908   31.919   15.281   51.447   20.750 -19.52744 25.76947 
1 1 1  -34   12   14 o  235.266   5.0853  3413.74  134.908  3274.78  156.490  3815.90  266.219  226.635   5.4373  243.897   8.5952 -17.26189 10.17061 
1 1 1  -34   12   15 o   96.051   10.966  625.118  116.511  637.877  138.309  593.936  216.222   99.343   10.963   92.760   18.995 6.582924 21.93135 
1 1 1  -34   12   16 o  145.666   7.3049  1363.35  126.957  1348.92  154.701  1393.11  222.181  144.916   8.4062  146.417   11.949 -1.500610 14.60984 
1 1 1  -34   12   17 o   71.327   12.798  302.629  115.954  176.865  141.073  564.545  203.585   52.567   17.776   90.088   18.417 -37.52072 25.59650 
1 1 1  -34   12   18 o  126.718   8.2913  1065.06  122.090  1091.17  146.979  1006.94  219.284  130.015   8.9019  123.422   13.991 6.592705 16.58257 
1 1 1  -34   12   19 o   53.816   14.999  138.358  151.884  199.126  221.105   84.063  208.999   58.021   21.927   49.611   20.472 8.409706 29.99835 
1 1 1  -34   12   20 o   85.010   16.092  482.121  171.889  797.811  305.331  335.651  207.976  102.235   23.939   67.784   21.512 34.45085 32.18461 
1 1 1  -34   12   21 o   57.199   14.998  185.060  166.989 -100.2752  268.556  364.926  213.222   45.010   20.655   69.389   21.751 -24.37987 29.99578 
1 1 1  -34   12   22 o   58.366   14.531 -217.4045  171.967 -611.3163  205.654  698.317  313.559   26.023   13.135   90.708   25.924 -64.68569 29.06168 
1 1 1  -34   12   23 o   49.446   13.827 -104.5931  163.558 -497.8601  217.098  411.619  248.728   28.843   14.408   70.048   23.604 -41.20466 27.65420 
1 1 1  -34   12   24 o   40.232   13.194 -94.2902  165.435 -316.6909  281.170   23.471  204.599   37.759   18.371   42.706   18.943 -4.946308 26.38859 
1 1 1  -34   12   25 f   40.901   13.642 -83.5643  167.371 -53.2469  309.576 -96.0863  198.956   45.393   21.285   36.409   17.069 8.984512 27.28389 
1 1 1  -34   14    1 o   42.258   11.664   77.387   89.596  103.239  111.105   29.313  151.509   43.214   15.685   41.301   17.268 1.913097 23.32792 
1 1 1  -34   14    2 f  105.424   7.4238  717.685   91.524  719.938  109.976  712.609  165.073  106.001   8.1698  104.846   12.398 1.154350 14.84760 
1 1 1  -34   14    3 o  303.473   4.4466  5804.25  149.337  5727.97  172.489  6032.59  298.416  299.932   4.5286  307.015   7.6539 -7.082275 8.893291 
1 1 1  -34   14    4 o  158.141   5.8746  1609.45  104.721  1617.39  122.771  1588.24  200.640  159.202   6.0725  157.080   10.058 2.121826 11.74913 
1 1 1  -34   14    5 o   48.644   12.677   96.482   91.147   59.147  104.118  218.948  188.570   37.994   14.866   59.293   20.538 -21.29855 25.35357 
1 1 1  -34   14    6 o  228.230   5.0475  3258.63  134.776  3150.74  160.542  3516.21  248.046  222.261   5.6878  234.199   8.3401 -11.93840 10.09496 
1 1 1  -34   14    7 o  141.365   6.8934  1277.39  123.752  1277.39  123.752   0.0000   0.0000  141.365   6.8934  ?   ?       ?      ? 
1 1 1  -34   14    8 o  113.091   7.5931  756.245   97.311  681.744  112.091  984.204  196.072  103.074   8.5634  123.109   12.541 -20.03522 15.18616 
1 1 1  -34   14    9 o   76.020   11.535  441.931  102.174  522.181  122.045  253.899  186.816   89.920   10.688   62.121   20.445 27.79963 23.06981 
1 1 1  -34   14   10 o   45.510   12.444   97.761  101.987  143.959  120.301 -20.2705  192.291   48.171   16.415   42.849   18.707 5.322380 24.88774 
1 1 1  -34   14   11 o   34.388   11.294 -140.4826  101.224 -183.6190  117.535 -16.6179  199.168   25.063   12.119   43.712   19.062 -18.64915 22.58854 
1 1 1  -34   14   12 o   59.246   11.954  259.603  110.065  379.443  131.819 -16.2968  200.012   74.779   14.404   43.713   19.081 31.06597 23.90745 
1 1 1  -34   14   13 o  161.665   6.5255  1673.86  125.020  1650.78  151.268  1723.60  222.072  160.383   7.4269  162.947   10.732 -2.563263 13.05103 
1 1 1  -34   14   14 o   89.698   10.462  489.583  111.140  347.572  135.740  778.411  193.582   70.939   15.501  108.457   14.055 -37.51743 20.92404 
1 1 1  -34   14   15 o   33.436   10.932 -102.1965  104.872 -111.7977  131.999 -85.7636  172.690   30.105   14.045   36.766   16.755 -6.660841 21.86323 
1 1 1  -34   14   16 o   88.007   11.363  555.199  116.615  605.524  145.780  465.771  194.333   95.792   11.984   80.221   19.309 15.57071 22.72505 
1 1 1  -34   14   17 o   56.506   13.900  182.965  149.846 -156.0070  248.535  376.557  187.824   41.610   19.366   71.402   19.946 -29.79184 27.80050 
1 1 1  -34   14   18 o   84.090   13.481  546.102  158.934  191.874  231.245  863.241  218.804   56.362   22.125  111.817   15.409 -55.45507 26.96182 
1 1 1  -34   14   19 o  131.572   12.442  1102.32  180.956  565.340  221.894  2168.51  312.669   85.478   20.669  177.667   13.858 -92.18938 24.88455 
1 1 1  -34   14   20 o   51.035   15.023   55.676  170.937 -132.9303  224.924  313.541  262.999   38.864   18.198   63.206   23.908 -24.34191 30.04547 
1 1 1  -34   14   21 o   44.576   13.798   28.607  154.706 -103.3994  230.074  137.553  209.014   39.746   18.543   49.407   20.437 -9.661079 27.59570 
1 1 1  -34   14   22 o   52.299   15.387  177.138  161.597  244.250  276.844  142.454  199.021   56.340   23.430   48.257   19.951 8.082638 30.77346 
1 1 1  -34   14   23 f   53.336   15.599  163.133  172.075  441.029  287.249   7.5927  214.902   65.396   24.925   41.276   18.764 24.12049 31.19867 
1 1 1  -34   16    1 o  324.325   4.7140  6617.25  168.451  6489.94  193.901  7008.96  340.125  318.873   4.7883  329.778   8.1216 -10.90466 9.428052 
1 1 1  -34   16    2 o   54.676   12.304  213.566  100.104  270.454  116.531   53.382  195.544   62.556   14.885   46.797   19.596 15.75839 24.60805 
1 1 1  -34   16    3 o  161.951   6.0522  1716.25  109.938  1744.91  128.975  1640.10  210.246  165.083   6.1522  158.819   10.424 6.263718 12.10436 
1 1 1  -34   16    4 o   68.316   12.592  289.718  100.903  237.662  117.535  435.605  196.762   58.581   15.543   78.051   19.816 -19.47070 25.18400 
1 1 1  -34   16    5 o  144.449   6.7646  1371.72  111.220  1398.11  131.756  1306.30  207.453  147.570   7.0306  141.327   11.559 6.243561 13.52915 
1 1 1  -34   16    6 o   54.384   13.125  180.144   99.811  160.974  117.026  231.301  191.174   49.438   16.177   59.330   20.672 -9.891853 26.24954 
1 1 1  -34   16    7 o  140.551   7.0658  1254.82  110.430  1224.13  127.665  1346.02  220.080  137.980   7.2858  143.122   12.109 -5.142334 14.13162 
1 1 1  -34   16    8 o   94.848   9.8325  555.145  106.102  505.497  122.811  701.272  210.695   87.912   11.000  101.784   16.300 -13.87202 19.66491 
1 1 1  -34   16    9 o  123.760   7.6518  981.390  110.489  949.952  131.515  1056.81  203.705  121.157   8.5477  126.364   12.694 -5.206779 15.30366 
1 1 1  -34   16   10 o   41.687   12.383   40.272  105.492   32.968  129.074   54.967  183.078   38.132   15.940   45.241   18.954 -7.109013 24.76555 
1 1 1  -34   16   11 o   89.716   11.693  632.701  111.946  719.867  132.376  413.850  209.753  104.914   9.9356   74.519   21.171 30.39546 23.38606 
1 1 1  -34   16   12 o   53.540   13.542  117.950  114.146   21.536  134.918  360.765  214.110   37.745   16.063   69.336   21.806 -31.59050 27.08408 
1 1 1  -34   16   13 o   55.835   13.708  219.684  117.374  244.907  142.844  167.254  205.946   58.196   17.729   53.474   20.911 4.721767 27.41575 
1 1 1  -34   16   14 o   26.811   13.594 -756.9973  125.206 -750.4802  147.656 -773.6749  236.206  ?   ?    26.811   13.594      ?      ? 
1 1 1  -34   16   15 o  221.881   7.6031  3444.08  200.509  4572.70  276.496  2192.23  291.200  264.383   8.2353  179.380   12.783 85.00287 15.20627 
1 1 1  -34   16   16 o   42.165   13.175 -64.4942  151.267 -283.3513  215.771  147.023  212.122   33.381   16.207   50.949   20.777 -17.56812 26.35053 
1 1 1  -34   16   17 o   48.715   14.312  117.578  146.658  191.242  216.935   55.571  199.031   53.209   21.256   44.221   19.171 8.988625 28.62405 
1 1 1  -34   16   18 o   70.269   14.998  440.142  154.350  284.519  246.370  540.688  198.032   58.773   22.903   81.765   19.369 -22.99133 29.99519 
1 1 1  -34   16   19 o   77.100   14.869  554.978  158.171  373.365  261.541  659.705  198.608   62.971   23.836   91.229   17.782 -28.25843 29.73790 
1 1 1  -34   18    1 o  214.139   6.5727  2969.27  178.739  2969.27  178.739   0.0000   0.0000  214.139   6.5727  ?   ?       ?      ? 
1 1 1  -34   18    2 o  301.546   5.7303  5859.06  219.436  5859.06  219.436   0.0000   0.0000  301.546   5.7303  ?   ?       ?      ? 
1 1 1  -34   18    5 o  183.409   13.964  2324.63  325.237   0.0000   0.0000  2324.63  325.237  ?   ?   183.409   13.964      ?      ? 
1 1 1  -34   18    6 o  145.311   13.036  2328.42  164.240  3261.92  199.309  353.343  289.910  224.123   7.0027   66.500   25.114 157.6232 26.07172 
1 1 1  -34   18    7 f   32.185   16.175 -604.4666  116.713 -580.4153  127.138 -733.3369  294.297  ?   ?    32.185   16.175      ?      ? 
1 1 1  -34   18    8 o  143.550   8.0699  1020.84  117.401  816.166  127.678  2140.92  298.684  111.134   9.0467  175.967   13.366 -64.83282 16.13987 
1 1 1  -34   18    9 o   90.479   12.406  547.369  106.955  513.076  117.030  721.209  263.492   87.388   10.545   93.570   22.460 -6.181618 24.81219 
1 1 1  -34   18   10 o   60.775   13.183  274.502  102.331  259.902  118.757  316.599  201.656   59.036   15.604   62.514   21.253 -3.478539 26.36619 
1 1 1  -34   18   11 o   84.081   12.898  552.944  131.957  569.278  171.399  529.174  206.768   87.457   16.023   80.706   20.217 6.750603 25.79670 
1 1 1  -34   18   12 o   71.000   13.110  401.134  141.593  692.886  200.914  113.249  199.578   95.096   17.273   46.905   19.727 48.19117 26.22055 
1 1 1  -34   18   13 o   66.400   13.886  359.660  147.661  102.254  210.652  608.320  207.042   46.409   19.918   86.391   19.352 -39.98240 27.77140 
1 1 1  -34   18   14 o  104.793   11.423  817.799  150.224  934.792  235.419  737.440  195.110  110.298   16.807   99.288   15.474 11.01045 22.84576 
1 1 1  -34   18   15 o   94.913   22.363  819.968  265.123  819.968  265.123   0.0000   0.0000   94.913   22.363  ?   ?       ?      ? 
1 1 1  -33    1    1 o  637.532   5.3475 25839.45  432.939 25825.73  611.059 25853.28  613.483  637.364   7.5495  637.701   7.5754 -0.3370972 10.69496 
1 1 1  -33    1    2 o  686.492   5.6961 29941.54  496.344 30635.88  715.621 29297.88  689.008  694.149   8.1181  678.835   7.9925 15.31360 11.39224 
1 1 1  -33    1    3 o  664.235   5.5384 28034.72  466.993 27574.37  649.540 28527.28  671.884  658.600   7.7662  669.870   7.8982 -11.26959 11.07673 
1 1 1  -33    1    4 o  343.646   3.8093  7502.58  166.237  7472.29  234.364  7533.25  235.831  342.948   5.3813  344.343   5.3930 -1.395599 7.618578 
1 1 1  -33    1    5 o  691.497   5.7450 30396.50  504.429 30867.67  720.403 29943.29  706.539  696.750   8.1418  686.243   8.1074 10.50787 11.48993 
1 1 1  -33    1    6 o  470.722   4.3799 14083.05  261.798 14246.01  369.259 13918.34  371.225  473.464   6.1414  467.980   6.2464 5.483643 8.759826 
1 1 1  -33    1    7 o  445.247   4.2665 12592.57  241.169 12327.02  336.065 12874.52  346.293  440.412   6.0088  450.083   6.0586 -9.670685 8.533021 
1 1 1  -33    1    8 o   97.343   7.5727  605.721   92.620  719.551  132.771  497.819  129.268  106.307   9.8348   88.378   11.518 17.92860 15.14533 
1 1 1  -33    1    9 o  266.725   4.0174  4522.32  136.070  4556.43  191.838  4487.79  193.032  267.739   5.6422  265.711   5.7206 2.028229 8.034882 
1 1 1  -33    1   10 o  154.287   5.1690  1512.90  101.090  1645.95  145.462  1388.61  140.589  160.849   7.1212  147.725   7.4941 13.12392 10.33792 
1 1 1  -33    1   11 o  161.060   5.1363  1650.50  105.004  1661.36  151.073  1640.35  146.052  161.567   7.3630  160.553   7.1633 1.014786 10.27261 
1 1 1  -33    1   12 o  197.958   4.9139  2493.85  123.501  2492.40  176.580  2495.23  172.795  197.897   7.0263  198.019   6.8714 -0.1222839 9.827761 
1 1 1  -33    1   13 f  138.212   6.4082  1219.03  112.343  1188.04  161.559  1248.05  156.324  136.494   9.3206  139.931   8.7970 -3.437454 12.81638 
1 1 1  -33    1   14 o  166.255   5.5848  1762.22  117.816  1692.69  167.447  1830.38  165.800  162.992   8.0897  169.519   7.7017 -6.527130 11.16962 
1 1 1  -33    1   15 o   77.904   11.577  404.045  112.916  483.704  157.263  319.276  162.227   86.780   14.270   69.029   18.234 17.75036 23.15432 
1 1 1  -33    1   16 o  135.159   7.2334  1163.18  123.924  1089.74  169.311  1247.94  181.875  130.582   10.210  139.736   10.249 -9.153824 14.46680 
1 1 1  -33    1   17 o   71.986   13.204  344.515  121.024  308.876  160.348  391.690  184.486   67.827   18.226   76.145   19.109 -8.318039 26.40704 
1 1 1  -33    1   18 o  104.451   9.5135  698.508  125.742  662.080  169.356  743.258  187.709  101.464   13.144  107.439   13.758 -5.975327 19.02703 
1 1 1  -33    1   19 o  107.090   9.4849  737.297  128.748  803.947  186.687  676.848  177.792  111.724   13.158  102.456   13.665 9.268021 18.96985 
1 1 1  -33    1   20 o   52.247   13.793   63.771  140.606 -137.3291  193.404  289.221  204.778   37.906   17.445   66.587   21.369 -28.68112 27.58504 
1 1 1  -33    1   21 f  116.972   9.8905  906.840  143.331  755.714  215.256  1027.22  192.113  107.702   15.738  126.242   11.983 -18.53989 19.78095 
1 1 1  -33    1   22 o   33.336   11.916 -512.7350  151.168 -526.2470  170.186 -462.2127  329.083   24.098   12.136   42.574   20.510 -18.47539 23.83115 
1 1 1  -33    1   24 o   57.629   17.615   34.447  195.752   88.409  431.666   20.478  219.634   67.234   28.675   48.024   20.468 19.20990 35.23070 
1 1 1  -33    1   25 o   65.434   15.172  222.091  175.537 -95.5888  253.359  515.367  243.433   45.723   20.619   85.144   22.262 -39.42163 30.34421 
1 1 1  -33    1   26 o  165.583   8.2275  1810.88  145.118  1831.76  165.918  1742.89  299.350  168.849   7.7378  162.318   14.522 6.530899 16.45509 
1 1 1  -33    1   27 o   40.648   13.223 -81.7133  128.962 -86.5873  145.872 -64.2716  275.946   33.224   15.238   48.072   21.614 -14.84778 26.44518 
1 1 1  -33    1   28 o   30.061   9.9764 -135.8584   95.481 -57.6588  146.672 -193.3708  125.784   34.464   15.602   25.657   12.438 8.806416 19.95280 
1 1 1  -33    1   29 o   50.206   12.861  123.333  120.602 -48.9178  168.539  304.085  172.648   37.029   16.747   63.384   19.524 -26.35515 25.72275 
1 1 1  -33    1   30 o   36.686   11.401 -50.2153  111.418 -204.1221  158.384  100.562  156.766   29.170   14.096   44.201   17.923 -15.03048 22.80201 
1 1 1  -33    1   31 f   51.967   18.331  209.747  150.600   0.0000   0.0000  209.747  150.600  ?   ?    51.967   18.331      ?      ? 
1 1 1  -33    3    1 o  436.796   4.1165 12125.51  228.294 12111.87  319.495 12139.74  326.326  436.549   5.7631  437.043   5.8796 -0.4938660 8.233052 
1 1 1  -33    3    2 o  537.259   4.6974 18349.23  320.469 18338.77  450.517 18359.94  455.956  537.108   6.6050  537.411   6.6810 -0.3028564 9.394738 
1 1 1  -33    3    3 o  396.284   4.0105  9980.58  201.782 10255.53  285.916  9707.74  284.814  401.726   5.6044  390.842   5.7383 10.88388 8.021064 
1 1 1  -33    3    4 o  552.293   4.8263 19386.01  338.457 19763.20  483.484 19023.53  473.957  557.560   6.8283  547.027   6.8226 10.53284 9.652685 
1 1 1  -33    3    5 f  318.933   3.8215  6464.35  154.311  6470.62  210.257  6457.04  227.181  319.111   5.1884  318.756   5.6122 0.3547668 7.643072 
1 1 1  -33    3    6 o  165.138   4.7097  1730.27   98.561  1682.73  134.370  1785.63  145.010  162.693   6.5036  167.584   6.8138 -4.890320 9.419406 
1 1 1  -33    3    7 o   69.244   10.345  336.386   90.878  161.977  135.877  477.553  122.244   51.933   17.447   86.555   11.121 -34.62215 20.68978 
1 1 1  -33    3    8 o  244.691   4.0519  3805.27  125.667  3792.25  172.309  3820.06  183.675  244.253   5.5551  245.130   5.9003 -0.8768311 8.103868 
1 1 1  -33    3    9 f  313.313   3.9996  6235.51  159.059  5976.46  221.534  6511.13  228.514  306.600   5.6897  320.026   5.6228 -13.42566 7.999271 
1 1 1  -33    3   10 o  227.591   4.3764  3294.60  126.313  3068.15  177.164  3528.72  180.141  219.627   6.3520  235.555   6.0220 -15.92885 8.752876 
1 1 1  -33    3   11 o  196.114   4.5920  2443.75  114.289  2555.24  164.964  2340.83  158.489  200.411   6.4817  191.817   6.5063 8.593979 9.183943 
1 1 1  -33    3   12 f   56.775   12.269  201.631   99.825  282.115  143.833  126.838  138.656   65.028   17.166   48.523   17.536 16.50486 24.53880 
1 1 1  -33    3   13 o  280.035   4.2051  4981.58  149.045  4906.88  202.001  5070.86  220.816  277.753   5.7269  282.318   6.1591 -4.565247 8.410163 
1 1 1  -33    3   14 o  153.973   5.8717  1522.47  113.927  1649.81  156.381  1378.44  166.312  160.930   7.6519  147.015   8.9081 13.91441 11.74331 
1 1 1  -33    3   15 o  100.787   8.9725  656.435  113.197  787.929  160.844  527.398  159.335  110.960   11.415   90.613   13.847 20.34644 17.94492 
1 1 1  -33    3   16 o  180.041   5.7713  2064.03  131.844  2180.01  190.487  1957.37  182.669  184.894   8.1127  175.189   8.2107 9.704956 11.54261 
1 1 1  -33    3   17 o  250.371   4.8479  3992.74  154.088  3961.12  214.765  4026.29  221.204  249.358   6.7821  251.383   6.9291 -2.024796 9.695836 
1 1 1  -33    3   18 f   76.864   12.859  401.373  125.867  524.233  178.706  280.427  177.307   88.576   16.494   65.152   19.731 23.42454 25.71735 
1 1 1  -33    3   19 o  107.725   9.7013  728.432  130.495  946.674  202.849  574.346  170.446  121.180   13.182   94.270   14.238 26.91006 19.40263 
1 1 1  -33    3   20 f   89.401   12.415  542.348  137.043  425.138  198.578  648.934  189.365   78.804   19.852   99.997   14.912 -21.19350 24.82912 
1 1 1  -33    3   21 o   80.404   11.778  434.344  119.732  644.016  174.117  246.256  164.911   99.682   13.755   61.127   19.124 38.55552 23.55640 
1 1 1  -33    3   23 o   87.062   12.409  608.927  116.625  711.071  135.450  316.153  229.317  105.110   10.147   69.014   22.648 36.09625 24.81765 
1 1 1  -33    3   24 o   56.323   13.475  138.236  111.790   49.669  132.188  360.635  209.472   40.474   16.442   72.173   21.355 -31.69876 26.95085 
1 1 1  -33    3   25 o   38.832   12.204 -67.7666  126.985   53.431  147.537 -414.1547  249.422   42.336   17.303   35.329   17.214 7.006451 24.40757 
1 1 1  -33    3   26 o   67.212   17.194  292.543  220.660 -914.8022  605.076  477.741  236.980   53.346   26.166   81.079   22.313 -27.73334 34.38768 
1 1 1  -33    3   27 o   68.188   13.694  187.113  126.510   29.904  144.983  688.790  258.995   39.777   16.776   96.599   21.649 -56.82203 27.38791 
1 1 1  -33    3   28 o   54.950   13.699  208.289  131.632  303.392  153.356 -57.8654  256.549   64.367   18.038   45.533   20.621 18.83451 27.39720 
1 1 1  -33    3   29 o  321.499   9.5490  6833.84  389.867   0.0000   0.0000  6833.84  389.867  ?   ?   321.499   9.5490      ?      ? 
1 1 1  -33    3   30 o   38.841   16.237   55.937  133.937   0.0000   0.0000   55.937  133.937  ?   ?    38.841   16.237      ?      ? 
1 1 1  -33    3   31 o   52.265   18.472  217.151  152.986   0.0000   0.0000  217.151  152.986  ?   ?    52.265   18.472      ?      ? 
1 1 1  -33    5    1 f  220.990   3.9259  3097.40  109.712  3028.24  147.779  3182.32  163.761  218.259   5.3317  223.721   5.7640 -5.461975 7.851813 
1 1 1  -33    5    2 o  387.420   5.4648  9541.56  268.866  9541.56  268.866   0.0000   0.0000  387.420   5.4648  ?   ?       ?      ? 
1 1 1  -33    5    3 o   76.211   8.5137  380.901   79.405  424.854  108.840  330.886  116.103   81.625   10.500   70.796   13.405 10.82871 17.02738 
1 1 1  -33    5    4 o  102.219   6.3079  662.883   81.718  622.189  111.396  710.297  120.243   98.838   8.8750  105.601   8.9664 -6.763191 12.61589 
1 1 1  -33    5    5 o  153.356   5.0774  1489.32   98.624  1357.02  134.632  1642.54  144.884  146.037   7.2595  160.674   7.1006 -14.63753 10.15476 
1 1 1  -33    5    6 o  172.845   4.7102  1900.34  103.385  1917.36  146.939  1883.66  145.489  173.611   6.6647  172.079   6.6577 1.532410 9.420405 
1 1 1  -33    5    7 o  123.868   6.1899  977.812   97.330  948.648  137.922  1006.74  137.371  122.020   8.9007  125.715   8.6046 -3.694839 12.37985 
1 1 1  -33    5    8 o  219.283   4.2943  3067.05  119.239  3237.10  165.739  2884.61  171.676  225.618   5.7846  212.948   6.3483 12.67078 8.588534 
1 1 1  -33    5    9 o  274.122   4.1395  4770.16  143.284  4698.87  191.991  4859.79  215.268  271.836   5.5615  276.408   6.1327 -4.572083 8.278938 
1 1 1  -33    5   10 o   63.731   11.085  272.243   92.944  156.548  131.831  386.584  131.057   50.971   17.185   76.491   14.008 -25.51970 22.17062 
1 1 1  -33    5   11 o  155.992   5.4425  1545.64  107.633  1480.50  147.100  1620.70  157.907  152.470   7.5971  159.514   7.7952 -7.043594 10.88492 
1 1 1  -33    5   12 o  160.273   5.6430  1656.88  113.415  1832.99  154.555  1451.40  166.948  169.668   7.1731  150.877   8.7132 18.79031 11.28601 
1 1 1  -33    5   13 o  136.148   6.3306  1166.94  108.591  989.166  145.151  1392.91  163.649  124.509   9.1800  147.786   8.7197 -23.27643 12.66117 
1 1 1  -33    5   14 o  144.723   6.0238  1336.57  110.610  1352.40  153.730  1319.59  159.268  145.627   8.3126  143.819   8.7204 1.808121 12.04762 
1 1 1  -33    5   15 o  128.515   6.8901  1061.19  111.579  913.009  158.176  1207.94  157.419  119.477   10.425  137.553   9.0117 -18.07536 13.78018 
1 1 1  -33    5   16 o   46.122   12.732   86.288  107.973   70.013  156.887  100.934  148.824   45.291   18.082   46.953   17.930 -1.662540 25.46447 
1 1 1  -33    5   17 f   35.563   11.390 -84.5413  110.764 -124.2758  167.300 -53.5317  147.795   35.150   16.194   35.977   16.022 -0.8265381 22.78039 
1 1 1  -33    5   18 o   48.715   13.417   91.168  119.328  151.152  183.421   47.151  157.125   53.907   20.053   43.524   17.831 10.38249 26.83351 
1 1 1  -33    5   19 o  115.918   9.0711  907.255  127.217  675.933  194.338  1080.71  168.285  102.045   14.997  129.792   10.210 -27.74769 18.14215 
1 1 1  -33    5   20 o  101.989   8.9272  711.874  104.391  779.897  127.147  571.180  182.858  110.332   9.0745   93.645   15.376 16.68757 17.85438 
1 1 1  -33    5   21 o   64.001   11.791  172.116  136.332 -219.0012  189.179  594.707  196.643   34.157   16.204   93.845   17.131 -59.68795 23.58111 
1 1 1  -33    5   22 o   50.790   20.646 -391.5164  150.126 -902.2158  216.215   83.887  208.610  ?   ?    50.790   20.646      ?      ? 
1 1 1  -33    5   23 o   75.627   13.044  404.803  117.209  432.927  136.967  327.871  226.535   81.552   13.225   69.701   22.487 11.85098 26.08738 
1 1 1  -33    5   24 o   60.455   13.708  242.839  116.290  243.007  145.311  242.539  193.940   59.748   17.811   61.162   20.842 -1.414181 27.41553 
1 1 1  -33    5   25 o  112.943   9.5634  772.223  127.002  673.318  149.669  1026.60  240.026  101.604   11.600  124.282   15.208 -22.67797 19.12676 
1 1 1  -33    5   26 o   39.718   12.575 -32.8488  119.735 -15.8985  141.016 -76.6415  226.663   36.433   15.960   43.004   19.438 -6.571056 25.15030 
1 1 1  -33    5   27 o   43.218   13.855 -100.6213  172.016 -324.8396  275.479   42.675  220.227   39.080   18.811   47.356   20.347 -8.275227 27.70988 
1 1 1  -33    5   28 o   66.904   12.080  152.845  184.338 -912.3292  302.156  784.325  232.649   30.787   15.584  103.021   18.461 -72.23354 24.15901 
1 1 1  -33    5   29 o   32.224   11.383 -554.5916  184.050 -465.3503  282.618 -620.3112  242.529   35.292   17.421   29.156   14.657 6.136019 22.76673 
1 1 1  -33    5   30 o   42.021   13.754 -52.0459  161.025   36.554  282.975 -94.4745  195.822   47.553   21.584   36.489   17.052 11.06365 27.50720 
1 1 1  -33    5   31 o   51.650   22.451  194.365  274.419  194.365  274.419   0.0000   0.0000   51.650   22.451  ?   ?       ?      ? 
1 1 1  -33    7    1 o  153.676   4.6994  1497.10   90.548  1467.75  118.418  1538.42  140.502  151.894   6.1390  155.457   7.1170 -3.563187 9.398875 
1 1 1  -33    7    2 o   93.306   8.1448  627.515   83.225  797.753  107.237  369.690  131.971  111.930   7.5444   74.683   14.437 37.24742 16.28968 
1 1 1  -33    7    3 o  315.436   4.3604  6439.49  168.723  6800.82  216.108  5875.39  270.018  327.051   5.2033  303.822   6.9984 23.22977 8.720737 
1 1 1  -33    7    4 o  291.204   5.8595  5393.63  216.687   0.0000   0.0000  5393.63  216.687  ?   ?   291.204   5.8595      ?      ? 
1 1 1  -33    7    5 o  108.719   6.6557  779.587   88.771  914.426  118.713  608.553  133.700  119.823   7.8015   97.615   10.785 22.20831 13.31130 
1 1 1  -33    7    6 o  356.216   4.0796  8079.57  183.525  8158.63  247.545  7983.09  273.473  358.186   5.4421  354.245   6.0790 3.940277 8.159114 
1 1 1  -33    7    7 o   73.141   10.262  357.354   95.830  135.257  131.597  608.090  139.824   48.743   17.142   97.539   11.288 -48.79554 20.52474 
1 1 1  -33    7    8 o  214.786   4.3525  2933.24  118.485  2904.98  162.170  2965.59  173.531  213.690   5.9760  215.883   6.3297 -2.192719 8.705027 
1 1 1  -33    7    9 o  126.173   6.3618  1019.67  101.425  1124.21  142.389  912.005  144.508  132.799   8.4431  119.547   9.5186 13.25214 12.72363 
1 1 1  -33    7   10 o   96.997   8.4039  599.254  103.245  547.256  140.698  659.920  151.973   92.455   11.983  101.540   11.786 -9.085495 16.80779 
1 1 1  -33    7   11 o  228.953   4.3653  3341.33  125.762  3375.36  167.402  3297.24  190.548  230.331   5.7231  227.576   6.5933 2.755386 8.730681 
1 1 1  -33    7   12 o   65.227   11.609  288.254   96.020  314.554  127.805  254.171  145.493   68.580   15.085   61.874   17.651 6.706451 23.21836 
1 1 1  -33    7   13 o   31.634   10.315 -115.7685   97.640 -58.6348  137.600 -173.7133  138.573   34.287   15.350   28.981   13.783 5.306217 20.63038 
1 1 1  -33    7   14 o  257.225   4.6411  4219.94  150.685  4266.33  202.867  4162.84  225.058  258.851   6.1714  255.599   6.9336 3.251877 9.282273 
1 1 1  -33    7   15 o  136.126   7.2577  1194.22  123.685  955.790  173.346  1441.50  176.530  122.088   11.181  150.165   9.2571 -28.07674 14.51543 
1 1 1  -33    7   16 o  102.754   9.0492  690.662  114.019  725.995  145.851  635.134  182.841  106.394   10.795   99.113   14.527 7.280266 18.09834 
1 1 1  -33    7   17 o   52.729   12.197  107.166   97.724   6.5599  117.557  332.199  175.816   35.480   15.043   69.977   19.203 -34.49670 24.39357 
1 1 1  -33    7   18 o   39.760   11.603 -37.2408   95.959 -123.7489  116.693  143.423  168.637   27.542   12.963   51.978   19.249 -24.43590 23.20688 
1 1 1  -33    7   19 o   27.102   9.3781 -234.9932   97.271 -207.5304  116.592 -297.8798  176.431   24.160   11.771   30.044   14.603 -5.884401 18.75628 
1 1 1  -33    7   20 o  501.483   9.4059 16142.78  599.010   0.0000   0.0000 16142.78  599.010  ?   ?   501.483   9.4059      ?      ? 
1 1 1  -33    7   21 f  102.938   9.2008  650.895  113.761  581.631  137.093  804.047  203.854   94.890   11.377  110.986   14.463 -16.09643 18.40167 
1 1 1  -33    7   22 o  111.747   8.7342  750.334  117.300  637.021  140.875  1006.51  211.815   99.244   11.178  124.249   13.424 -25.00450 17.46846 
1 1 1  -33    7   23 o   39.880   12.194  -0.7919  110.823   23.311  138.603 -43.5135  184.527   39.125   16.447   40.634   18.009 -1.509174 24.38895 
1 1 1  -33    7   24 o  121.554   8.9760  994.483  127.688  1039.81  155.558  900.866  223.562  126.740   9.6650  116.367   15.128 10.37249 17.95206 
1 1 1  -33    7   25 o   62.698   16.015  216.322  168.310  424.146  267.099   79.451  216.760   75.582   24.420   49.815   20.726 25.76701 32.02999 
1 1 1  -33    7   26 o   59.632   18.221   60.221  187.807  413.991  474.893  -5.3656  204.476   75.798   31.019   43.467   19.125 32.33052 36.44117 
1 1 1  -33    7   27 o   77.126   11.169  193.064  189.459 -814.0143  275.474  1096.98  260.983   29.771   15.047  124.481   16.509 -94.70952 22.33795 
1 1 1  -33    7   28 o   37.408   12.732 -259.5144  178.956 -319.1581  257.749 -204.0031  248.660   36.297   17.644   38.518   18.360 -2.220524 25.46321 
1 1 1  -33    7   29 o   41.068   13.503 -74.6335  170.891 -168.7476  268.499 -10.5487  221.561   40.117   19.110   42.020   19.083 -1.903248 27.00620 
1 1 1  -33    7   30 o   58.407   16.811  324.278  196.263  297.025  300.701  344.504  259.050   57.005   24.107   59.808   23.435 -2.802818 33.62109 
1 1 1  -33    9    1 o   91.408   7.7443  557.469   85.306  628.080  109.470  448.288  136.122   99.222   8.6878   83.594   12.823 15.62783 15.48860 
1 1 1  -33    9    2 o  152.614   4.8173  1468.64   92.691  1369.71  122.505  1601.13  141.762  146.676   6.5769  158.552   7.0406 -11.87648 9.634610 
1 1 1  -33    9    3 o  159.187   4.8603  1618.67   96.513  1640.93  125.726  1586.74  150.597  160.569   6.1657  157.805   7.5148 2.763306 9.720522 
1 1 1  -33    9    4 o  189.066   4.3778  2259.51  104.203  2163.58  137.378  2389.49  159.904  184.395   5.8666  193.736   6.4993 -9.340897 8.755505 
1 1 1  -33    9    5 o  127.656   6.5525  1040.48  106.194  1011.72  150.171  1069.25  150.191  125.881   9.3939  129.430   9.1375 -3.549110 13.10498 
1 1 1  -33    9    6 o  104.354   6.8452  700.335   89.482  727.933  118.627  663.903  136.297  106.812   8.7455  101.896   10.533 4.916573 13.69045 
1 1 1  -33    9    7 o  228.981   4.3883  3329.55  126.386  3281.20  166.993  3394.39  193.366  227.076   5.7909  230.885   6.5949 -3.809143 8.776528 
1 1 1  -33    9    8 o  280.326   4.2823  4989.80  150.980  4916.96  199.456  5087.54  231.049  277.980   5.6501  282.672   6.4364 -4.691650 8.564503 
1 1 1  -33    9    9 o  281.187   4.2748  5041.12  151.409  5099.02  202.320  4967.41  228.269  283.072   5.6281  279.302   6.4357 3.770233 8.549525 
1 1 1  -33    9   10 o   39.152   10.953   11.602   78.305 -42.6364   93.221  141.582  144.311   28.089   12.601   50.214   17.919 -22.12562 21.90630 
1 1 1  -33    9   11 o   42.067   10.201   64.878   87.178  200.848  104.735 -241.8077  157.295   54.859   14.725   29.274   14.122 25.58421 20.40263 
1 1 1  -33    9   12 o  155.576   5.6368  1609.70   99.400  1699.81  118.566  1396.56  182.345  163.403   5.7138  147.749   9.7183 15.65425 11.27354 
1 1 1  -33    9   13 o   84.038   9.0246  427.258   91.062  376.835  109.536  540.087  163.853   76.623   11.257   91.452   14.109 -14.82865 18.04912 
1 1 1  -33    9   14 o   81.176   9.4397  446.005   89.499  480.607  112.463  386.247  147.796   86.583   10.228   75.769   15.869 10.81409 18.87939 
1 1 1  -33    9   15 o   92.412   8.3053  563.768   93.751  611.113  120.566  491.361  149.100   97.643   9.7231   87.180   13.467 10.46264 16.61051 
1 1 1  -33    9   16 o   47.521   12.218  120.433   93.317  104.565  118.764  146.036  150.862   44.208   16.190   50.834   18.302 -6.625320 24.43568 
1 1 1  -33    9   17 o  215.926   4.8262  2819.33  122.721  2584.36  145.573  3396.49  228.157  201.372   5.6925  230.481   7.7951 -29.10921 9.652372 
1 1 1  -33    9   18 o  456.150   5.6066 13227.95  315.570 17965.77  470.482  9353.29  425.471  530.318   6.9860  381.982   8.7710 148.3362 11.21317 
1 1 1  -33    9   19 o   45.723   13.006  -9.7334  115.110 -107.1003  138.033  212.599  208.583   31.578   14.605   59.867   21.524 -28.28892 26.01167 
1 1 1  -33    9   20 o   48.184   13.064  113.742  111.274  151.284  135.957   37.570  193.661   50.007   17.432   46.361   19.462 3.646000 26.12780 
1 1 1  -33    9   21 o   55.685   13.142  202.826  110.061  240.514  139.509  140.707  179.108   59.404   17.385   51.966   19.712 7.437439 26.28313 
1 1 1  -33    9   22 o  123.003   7.9582  972.640  118.906  944.825  147.127  1025.02  201.902  120.906   9.5822  125.100   12.709 -4.194191 15.91643 
1 1 1  -33    9   23 o  136.071   10.515  1286.81  173.376  945.457  259.716  1561.21  232.859  117.897   17.347  154.245   11.888 -36.34784 21.02931 
1 1 1  -33    9   24 o   49.146   15.311   2.9470  184.526 -313.6156  365.892  110.923  213.691   47.186   22.429   51.107   20.849 -3.920731 30.62243 
1 1 1  -33    9   25 o   37.633   12.668 -215.7679  163.511 -387.5020  281.415 -128.2419  200.904   37.816   18.394   37.451   17.424 0.3645973 25.33663 
1 1 1  -33    9   26 o  210.634   12.040  2907.38  212.884  7051.48  361.224  702.091  263.508  327.704   8.6799   93.564   22.462 234.1406 24.08046 
1 1 1  -33    9   27 o   41.414   13.581 -89.1144  171.752 -170.2459  257.649 -24.2276  230.415   39.957   18.943   42.871   19.466 -2.914398 27.16160 
1 1 1  -33    9   28 o   39.002   12.929 -135.6408  169.509 -367.7753  264.241   26.684  220.965   34.757   17.097   43.246   19.400 -8.488663 25.85853 
1 1 1  -33   11    1 o  321.260   4.4563  6616.86  174.077  6724.74  217.837  6426.23  289.560  325.063   5.2770  317.457   7.1825 7.605743 8.912647 
1 1 1  -33   11    2 o  227.933   4.0185  3237.13  103.830  3154.97  121.195  3463.77  201.304  222.741   4.2846  233.124   6.7997 -10.38280 8.036965 
1 1 1  -33   11    3 o  146.262   5.2051  1393.27   87.891  1436.80  105.334  1293.52  159.467  150.241   5.5208  142.282   8.8256 7.959534 10.41012 
1 1 1  -33   11    4 o  210.548   4.3972  2906.06  103.710  3006.01  122.067  2646.68  196.644  217.409   4.4212  203.687   7.6022 13.72241 8.794376 
1 1 1  -33   11    5 o   83.295   7.8709  455.659   76.810  474.407   93.371  416.416  135.091   86.181   8.5314   80.409   13.230 5.772545 15.74190 
1 1 1  -33   11    6 o  124.460   6.3676  1092.76   86.836  1232.14  104.100  773.906  157.449  139.101   5.8931  109.820   11.290 29.28138 12.73522 
1 1 1  -33   11    7 o  209.544   4.4959  2867.65  107.638  2965.03  128.190  2634.86  198.193  215.892   4.6756  203.196   7.6806 12.69572 8.991840 
1 1 1  -33   11    8 o  327.044   4.2738  6801.77  158.799  6787.54  186.647  6839.08  302.188  326.660   4.4993  327.429   7.2675 -0.7693787 8.547516 
1 1 1  -33   11    9 o  245.204   4.3203  3905.74  121.760  4013.36  145.320  3652.19  223.061  251.170   4.5560  239.239   7.3420 11.93073 8.640688 
1 1 1  -33   11   10 o   61.901   12.040  255.890   92.270  258.063  110.009  250.735  169.454   61.946   14.277   61.855   19.391 0.9188461E-01 24.07983 
1 1 1  -33   11   11 o   66.185   11.381  313.137   94.887  367.625  115.416  199.505  166.672   75.540   12.031   56.829   19.322 18.71123 22.76125 
1 1 1  -33   11   12 o  240.732   4.5973  3597.88  126.015  3480.41  147.273  3918.97  243.488  233.816   4.9599  247.648   7.7422 -13.83139 9.194681 
1 1 1  -33   11   13 o  132.367   6.7942  1104.54  102.230  1081.08  119.695  1167.77  196.550  130.105   7.2444  134.629   11.496 -4.524216 13.58846 
1 1 1  -33   11   14 f   47.562   13.098   58.025  102.850   9.0133  118.720  205.470  205.914   35.745   15.134   59.379   21.382 -23.63411 26.19603 
1 1 1  -33   11   15 o  458.314   5.6488 13640.94  320.765 17140.16  455.204 10189.70  452.072  518.012   6.9197  398.617   8.9305 119.3950 11.29761 
1 1 1  -33   11   16 o   30.266   10.517 -309.8242  112.998 -356.9406  133.325 -189.6687  212.911   22.528   11.259   38.003   17.766 -15.47450 21.03325 
1 1 1  -33   11   17 o   83.399   11.337  440.264  109.212  383.952  131.033  568.381  197.644   75.562   14.176   91.236   17.697 -15.67395 22.67483 
1 1 1  -33   11   18 o   67.890   13.271  308.180  114.148  281.806  141.307  357.713  193.650   64.054   17.065   71.726   20.329 -7.672394 26.54214 
1 1 1  -33   11   19 o   75.788   12.537  364.354  115.428  269.562  141.924  549.568  198.384   62.514   17.294   89.063   18.156 -26.54865 25.07424 
1 1 1  -33   11   20 o   59.659   11.908  248.221  121.647  433.263  148.650 -126.9274  211.657   79.562   15.268   39.757   18.279 39.80429 23.81638 
1 1 1  -33   11   21 f  101.271   12.900  714.406  161.034  701.470  241.310  724.791  216.222   99.065   19.873  103.477   16.454 -4.412773 25.80040 
1 1 1  -33   11   22 o   88.061   14.359  703.852  169.539  142.293  333.802  899.078  196.815   60.161   25.418  115.961   13.365 -55.79955 28.71801 
1 1 1  -33   11   23 o   45.513   13.533 -106.9750  167.386 -595.4312  259.686  240.207  218.935   31.785   15.858   59.242   21.934 -27.45761 27.06608 
1 1 1  -33   11   24 o  253.901   7.1026  4165.19  224.884  3723.82  286.908  4868.40  362.141  237.469   9.5139  270.333   10.549 -32.86391 14.20529 
1 1 1  -33   11   25 o   42.442   13.198 -132.0878  162.031 -507.6525  235.955  203.052  222.894   30.361   15.143   54.522   21.620 -24.16093 26.39563 
1 1 1  -33   11   26 o   44.003   13.945 -104.9223  155.335  269.530  276.990 -276.7106  187.613   57.988   23.706   30.018   14.691 27.96935 27.88903 
1 1 1  -33   11   27 o   54.973   14.609  216.788  165.421 -78.6548  247.791  454.312  222.179   40.289   18.940   69.657   22.248 -29.36778 29.21819 
1 1 1  -33   13    1 o  140.544   6.0829  1156.51   94.797  1056.09  108.028  1492.81  197.687  128.650   6.6122  152.439   10.212 -23.78856 12.16571 
1 1 1  -33   13    2 f  199.535   4.5968  2389.00  101.003  2250.46  115.250  2847.68  209.712  188.017   4.8269  211.053   7.8244 -23.03574 9.193514 
1 1 1  -33   13    3 o  178.998   4.9939  1960.71  101.108  1866.13  117.305  2234.03  199.409  171.157   5.3969  186.840   8.4042 -15.68312 9.987857 
1 1 1  -33   13    4 o   48.140   12.003  135.834   84.120  146.201   96.753  103.732  170.261   47.400   14.618   48.880   19.042 -1.479881 24.00585 
1 1 1  -33   13    5 o  127.980   6.2810  1018.27   92.697  977.767  109.103  1123.40  175.770  123.758   6.9420  132.202   10.470 -8.444061 12.56198 
1 1 1  -33   13    6 o  129.809   5.8967  1043.69   87.837  1000.18  102.992  1159.73  168.221  125.209   6.4772  134.408   9.8555 -9.199280 11.79341 
1 1 1  -33   13    7 o  174.278   5.0043  1860.56  102.379  1743.35  121.543  2146.86  189.954  165.380   5.7872  183.176   8.1659 -17.79588 10.00868 
1 1 1  -33   13    8 o   26.537   9.3491 -280.8954   91.906 -298.7457  105.969 -226.7124  184.624   19.761   9.9000   33.312   15.862 -13.55100 18.69813 
1 1 1  -33   13    9 o  282.365   4.5846  5142.19  144.203  5202.40  168.182  4975.06  280.217  285.868   4.6327  278.861   7.9128 7.006592 9.169187 
1 1 1  -33   13   10 o  158.073   10.945  1610.69  219.720   0.0000   0.0000  1610.69  219.720  ?   ?   158.073   10.945      ?      ? 
1 1 1  -33   13   11 o   55.442   13.228  138.722  110.186   47.979  132.794  339.278  197.418   40.506   16.470   70.379   20.705 -29.87288 26.45653 
1 1 1  -33   13   12 o  107.161   8.6976  768.088  110.011  816.894  135.576  674.008  188.233  112.744   9.4692  101.578   14.592 11.16631 17.39528 
1 1 1  -33   13   13 o   78.415   11.941  414.114  109.770  403.415  133.715  436.226  192.229   77.510   14.104   79.321   19.273 -1.810562 23.88258 
1 1 1  -33   13   14 o   46.490   12.546   90.019  112.768  185.490  139.180 -92.4220  192.399   53.624   17.647   39.356   17.838 14.26835 25.09163 
1 1 1  -33   13   15 o   52.561   12.154  167.650  111.172  295.354  136.909 -79.5532  190.483   65.496   16.475   39.626   17.873 25.87080 24.30832 
1 1 1  -33   13   16 f  158.367   6.4980  1579.54  125.336  1489.97  154.657  1750.94  213.938  152.278   7.9975  164.456   10.244 -12.17767 12.99597 
1 1 1  -33   13   17 o   82.699   12.186  490.983  120.893  546.919  151.567  393.166  200.433   91.186   13.089   74.213   20.560 16.97307 24.37239 
1 1 1  -33   13   18 o   47.381   12.698   16.639  108.485 -97.4909  129.184  289.659  199.806   30.358   14.072   64.405   21.141 -34.04709 25.39609 
1 1 1  -33   13   19 f  122.623   10.630  1002.78  163.483  1104.16  256.113  933.071  212.379  127.375   15.833  117.872   14.188 9.503143 21.26013 
1 1 1  -33   13   20 o   37.384   12.570 -234.1459  153.362 -98.0399  254.665 -311.5934  192.103   44.002   20.164   30.765   15.016 13.23765 25.14075 
1 1 1  -33   13   21 o   32.477   16.145 -707.2873  152.564 -795.6273  188.748 -540.7957  259.119  ?   ?    32.477   16.145      ?      ? 
1 1 1  -33   13   22 o   30.459   15.306 -745.0423  167.065 -796.5500  216.238 -668.7686  263.138  ?   ?    30.459   15.306      ?      ? 
1 1 1  -33   13   23 f   52.785   14.868  170.399  164.571 -56.1585  270.526  303.500  207.353   44.479   20.528   61.090   21.514 -16.61136 29.73602 
1 1 1  -33   13   24 o   45.894   14.213   79.717  156.797   2.0071  265.877  121.155  194.152   45.150   20.658   46.638   19.527 -1.487972 28.42642 
1 1 1  -33   13   25 o   56.823   24.014  293.579  298.050  293.579  298.050   0.0000   0.0000   56.823   24.014  ?   ?       ?      ? 
1 1 1  -33   15    1 o  231.767   4.5685  3350.88  118.240  3264.62  136.839  3605.05  234.901  226.356   4.7604  237.178   7.7989 -10.82137 9.136947 
1 1 1  -33   15    2 o   50.189   12.334  118.107   89.544   68.513  104.847  251.789  172.137   38.940   15.005   61.438   19.579 -22.49728 24.66752 
1 1 1  -33   15    3 o  142.384   6.5620  1361.51  103.489  1430.02  121.717  1182.77  196.599  149.611   6.4064  135.158   11.454 14.45335 13.12400 
1 1 1  -33   15    4 f  157.698   5.9887  1521.17  109.299  1423.19  128.353  1779.64  208.473  149.198   6.7743  166.199   9.8775 -17.00072 11.97730 
1 1 1  -33   15    5 o   77.293   11.672  374.443  102.579  325.906  120.608  501.375  195.040   69.418   14.161   85.169   18.558 -15.75105 23.34344 
1 1 1  -33   15    6 o  145.076   7.1946  1403.64  124.953  1517.27  156.845  1206.23  206.734  153.817   8.0295  136.335   11.941 17.48201 14.38929 
1 1 1  -33   15    7 o  126.058   7.7591  1120.40  107.589  1245.41  128.667  829.818  196.170  139.467   7.2647  112.650   13.713 26.81651 15.51819 
1 1 1  -33   15    8 o  213.631   5.1371  2884.17  128.816  2823.00  154.269  3025.05  234.114  210.277   5.7771  216.985   8.4961 -6.707306 10.27417 
1 1 1  -33   15    9 o   47.162   12.865  109.921  102.301  125.879  119.752   66.822  196.801   46.110   16.338   48.215   19.877 -2.104786 25.72976 
1 1 1  -33   15   10 o  213.456   5.3260  2903.85  133.208  2873.30  159.720  2973.67  241.430  212.041   5.9315  214.871   8.8478 -2.829788 10.65203 
1 1 1  -33   15   11 o  193.560   5.5725  2384.94  124.396  2353.81  147.335  2462.21  232.146  191.856   6.0472  195.264   9.3619 -3.408096 11.14507 
1 1 1  -33   15   12 o   90.479   10.816  560.760  113.215  576.115  139.074  530.593  194.936   93.922   11.660   87.037   18.221 6.885269 21.63236 
1 1 1  -33   15   13 o  114.572   8.7097  941.874  112.307  1086.11  138.193  661.321  192.733  129.735   8.3879   99.409   15.267 30.32589 17.41946 
1 1 1  -33   15   14 o   62.622   12.991  262.715  105.822  224.602  130.185  336.943  181.679   56.800   16.841   68.445   19.785 -11.64485 25.98216 
1 1 1  -33   15   15 o   75.509   12.027  423.383  108.517  467.480  131.045  327.164  193.574   83.978   12.288   67.039   20.678 16.93891 24.05312 
1 1 1  -33   15   16 o   39.929   12.498 -67.7300  130.060 -191.3174  175.633   82.335  193.534   32.454   15.458   47.404   19.642 -14.95020 24.99514 
1 1 1  -33   15   17 o   63.621   14.871  300.132  138.071  288.138  179.289  317.612  216.439   62.303   19.995   64.939   22.018 -2.636383 29.74223 
1 1 1  -33   15   18 o  254.669   6.7743  4238.96  216.025  4029.43  280.187  4546.10  339.220  247.654   8.9089  261.685   10.208 -14.03085 13.54861 
1 1 1  -33   15   19 o   80.557   13.692  504.073  163.156  163.512  229.573  851.633  231.920   52.782   21.580  108.332   16.858 -55.55038 27.38391 
1 1 1  -33   15   20 o   51.794   14.962  162.534  162.818   14.213  266.719  250.635  205.563   46.717   21.104   56.871   21.214 -10.15333 29.92326 
1 1 1  -33   15   21 o   56.729   14.375  262.259  152.740  -9.0126  264.521  397.943  187.078   44.738   20.519   68.720   20.138 -23.98238 28.75012 
1 1 1  -33   15   22 o  101.947   14.400  907.582  171.839  782.967  291.512  973.943  212.729   89.271   24.817  114.622   14.614 -25.35123 28.80056 
1 1 1  -33   17    1 o  174.233   5.6216  1969.52  112.531  1980.03  133.596  1943.86  208.788  175.699   5.9875  172.767   9.5163 2.932159 11.24322 
1 1 1  -33   17    2 o  122.868   7.0511  909.275  100.525  810.907  117.507  1177.75  194.127  111.950   8.2654  133.785   11.426 -21.83488 14.10224 
1 1 1  -33   17    3 o   40.317   12.143  -1.3680  101.483 -46.3938  121.035  105.217  186.221   31.782   14.300   48.851   19.630 -17.06903 24.28624 
1 1 1  -33   17    4 o  129.676   7.1306  1082.92  108.066  1060.04  129.107  1136.46  197.500  128.095   7.9367  131.257   11.849 -3.161819 14.26120 
1 1 1  -33   17    5 o  172.683   5.7999  1977.33  116.726  2059.22  141.419  1802.28  206.754  179.115   6.2172  166.251   9.7929 12.86404 11.59979 
1 1 1  -33   17    6 o   77.662   12.502  476.032  115.355  548.700  136.050  290.181  217.576   91.164   11.752   64.161   22.071 27.00323 25.00418 
1 1 1  -33   17    7 o  139.951   7.4100  1288.78  119.177  1295.20  141.631  1273.21  220.567  141.515   7.8810  138.386   12.551 3.129089 14.81998 
1 1 1  -33   17    8 o   39.314   11.902   19.815  105.227   69.443  126.617 -90.9924  189.197   40.594   16.231   38.035   17.411 2.559494 23.80304 
1 1 1  -33   17    9 o   95.819   9.9113  591.819  109.328  553.896  128.198  692.948  209.348   91.573   11.024  100.064   16.475 -8.490860 19.82262 
1 1 1  -33   17   10 o   99.253   10.310  587.841  113.306  509.519  128.424  862.977  240.702   87.530   11.554  110.977   17.079 -23.44753 20.61998 
1 1 1  -33   17   11 o  110.506   9.4571  739.604  115.120  658.887  130.545  1021.88  244.128   99.859   10.294  121.152   15.868 -21.29221 18.91428 
1 1 1  -33   17   12 o  ?   ?  -960.8139  115.697 -954.1060  128.428 -989.7056  266.533  ?   ?   ?   ?       ?      ? 
1 1 1  -33   17   13 o  238.078   6.7761  4031.83  171.059  4329.93  199.085  3191.00  334.359  259.018   6.0525  217.137   12.126 41.88156 13.55219 
1 1 1  -33   17   14 o   48.580   14.075   30.718  143.947 -124.6034  179.951  306.699  239.872   34.653   16.242   62.508   22.991 -27.85460 28.14986 
1 1 1  -33   17   15 o   46.660   12.993   40.595  135.298  292.937  191.342 -211.7361  191.337   60.666   20.702   32.653   15.707 28.01342 25.98619 
1 1 1  -33   17   16 o   46.603   13.575   99.892  137.561 -32.5167  203.740  210.822  186.484   40.011   18.220   53.196   20.129 -13.18526 27.15069 
1 1 1  -33   17   17 o   39.631   12.909 -70.6618  146.113   65.689  235.554 -155.9355  186.281   45.966   20.361   33.295   15.876 12.67086 25.81880 
1 1 1  -33   17   18 o   98.312   13.474  784.967  158.197  807.296  262.241  772.193  198.352   95.215   22.112  101.409   15.402 -6.193520 26.94729 
1 1 1  -33   19    1 o   46.278   17.667  139.460  144.463  139.460  144.463   0.0000   0.0000   46.278   17.667  ?   ?       ?      ? 
1 1 1  -33   19    2 o   59.591   16.724  270.425  131.732  270.425  131.732   0.0000   0.0000   59.591   16.724  ?   ?       ?      ? 
1 1 1  -33   19    3 o   55.957   17.766  239.526  141.831  239.526  141.831   0.0000   0.0000   55.957   17.766  ?   ?       ?      ? 
1 1 1  -33   19    4 o   96.459   12.241  640.975  149.942  640.975  149.942   0.0000   0.0000   96.459   12.241  ?   ?       ?      ? 
1 1 1  -33   19    5 o   39.651   16.564   60.103  139.243   60.103  139.243   0.0000   0.0000   39.651   16.564  ?   ?       ?      ? 
1 1 1  -33   19    6 o  109.733   10.983  818.567  153.054  818.567  153.054   0.0000   0.0000  109.733   10.983  ?   ?       ?      ? 
1 1 1  -33   19    7 o  131.466   9.3768  1155.60  156.548  1155.60  156.548   0.0000   0.0000  131.466   9.3768  ?   ?       ?      ? 
1 1 1  -33   19    8 o   58.509   14.424  225.915  123.894  138.808  146.456  445.117  232.329   45.970   17.729   71.048   22.757 -25.07810 28.84759 
1 1 1  -33   19    9 o   58.372   12.641  282.021  122.794  422.457  153.580   33.144  204.451   74.000   16.735   42.745   18.950 31.25545 25.28149 
1 1 1  -33   19   10 o   42.015   12.629   72.527  115.263   58.203  147.779   94.778  184.180   39.590   16.829   44.439   18.834 -4.849201 25.25752 
1 1 1  -33   19   11 o   30.803   10.670 -274.1462  136.492 -207.2215  211.025 -322.2826  178.969   33.867   16.343   27.739   13.724 6.128757 21.34076 
1 1 1  -33   19   12 o   40.117   12.749  -2.7220  136.413 -87.2192  182.775  103.535  204.962   34.942   16.375   45.291   19.545 -10.34938 25.49790 
1 1 1  -32    0    1 o  918.639   7.3472 53645.75  1211.81 53645.75  1211.81 53645.75  1211.81  918.639   10.391  918.639   10.391 -0.000000 0.000000 
1 1 1  -32    0    2 f  289.321   3.6900  5321.21  191.591  5321.21  191.591  5321.21  191.591  289.321   5.2184  289.321   5.2184 -0.000000 0.000000 
1 1 1  -32    0    3 o  545.156   4.7822 18885.23  468.052 18885.23  468.052 18885.23  468.052  545.156   6.7631  545.156   6.7631 -0.000000 0.000000 
1 1 1  -32    0    4 o  570.180   4.9474 20659.12  506.445 20659.12  506.445 20659.12  506.445  570.180   6.9966  570.180   6.9966 -0.000000 0.000000 
1 1 1  -32    0    5 o   56.417   13.373  260.552  120.927  260.552  120.927  260.552  120.927   56.417   18.912   56.417   18.912 -0.000000 0.000000 
1 1 1  -32    0    6 o  845.580   6.8433 45449.77  1038.93 45449.77  1038.93 45449.77  1038.93  845.580   9.6779  845.580   9.6779 -0.000000 0.000000 
1 1 1  -32    0    7 o  257.228   3.8958  4208.12  179.787  4208.12  179.787  4208.12  179.787  257.228   5.5095  257.228   5.5095 -0.000000 0.000000 
1 1 1  -32    0    8 o  364.771   4.0305  8457.45  263.896  8457.45  263.896  8457.45  263.896  364.771   5.7000  364.771   5.7000 -0.000000 0.000000 
1 1 1  -32    0    9 o  268.870   3.9830  4597.92  192.137  4597.92  192.137  4597.92  192.137  268.870   5.6328  268.870   5.6328 -0.000000 0.000000 
1 1 1  -32    0   10 o  214.732   4.2262  2936.06  162.698  2936.06  162.698  2936.06  162.698  214.732   5.9768  214.732   5.9768 -0.000000 0.000000 
1 1 1  -32    0   11 o  102.081   7.4639  683.832  133.486  683.832  133.486  683.832  133.486  102.081   10.556  102.081   10.556 -0.000000 0.000000 
1 1 1  -32    0   12 o  110.297   8.2280  799.956  158.837  799.956  158.837  799.956  158.837  110.297   11.636  110.297   11.636 -0.000000 0.000000 
1 1 1  -32    0   13 o  117.593   7.6652  902.463  158.718  902.463  158.718  902.463  158.718  117.593   10.840  117.593   10.840 -0.000000 0.000000 
1 1 1  -32    0   14 o   17.248   8.8573 -323.4298  152.678 -323.4298  152.678 -323.4298  152.678   17.248   12.526   17.248   12.526 -0.000000 0.000000 
1 1 1  -32    0   15 o  141.559   6.7737  1292.80  170.399  1292.80  170.399  1292.80  170.399  141.559   9.5794  141.559   9.5794 -0.000000 0.000000 
1 1 1  -32    0   16 o  124.670   7.7954  1013.16  171.401  1013.16  171.401  1013.16  171.401  124.670   11.024  124.670   11.024 -0.000000 0.000000 
1 1 1  -32    0   17 o   40.392   15.688  146.741  164.008  146.741  164.008  146.741  164.008   40.392   22.186   40.392   22.186 -0.000000 0.000000 
1 1 1  -32    0   18 o   34.276   14.657   73.548  165.859   73.548  165.859   73.548  165.859   34.276   20.728   34.276   20.728 -0.000000 0.000000 
1 1 1  -32    0   19 o   49.837   16.729  235.595  170.417  235.595  170.417  235.595  170.417   49.837   23.659   49.837   23.659 -0.000000 0.000000 
1 1 1  -32    0   20 o  277.566   5.1596  4913.23  256.802  4913.23  256.802  4913.23  256.802  277.566   7.2968  277.566   7.2968 -0.000000 0.000000 
1 1 1  -32    0   21 o  126.261   8.9475  1049.98  198.218  1049.98  198.218  1049.98  198.218  126.261   12.654  126.261   12.654 -0.000000 0.000000 
1 1 1  -32    0   22 o   25.236   12.268 -124.8708  181.606 -124.8708  181.606 -124.8708  181.606   25.236   17.350   25.236   17.350 -0.000000 0.000000 
1 1 1  -32    0   24 o   20.186   10.309 -354.6874  192.365 -354.6874  192.365 -354.6874  192.365   20.186   14.579   20.186   14.579 -0.000000 0.000000 
1 1 1  -32    0   25 o   50.767   19.104  251.029  235.818  251.029  235.818  251.029  235.818   50.767   27.017   50.767   27.017 -0.000000 0.000000 
1 1 1  -32    0   26 o   31.747   15.199 -108.1540  256.680 -108.1540  256.680 -108.1540  256.680   31.747   21.495   31.747   21.495 -0.000000 0.000000 
1 1 1  -32    0   27 o   63.714   15.162  342.965  155.026  342.965  155.026  342.965  155.026   63.714   21.442   63.714   21.442 -0.000000 0.000000 
1 1 1  -32    0   28 o   39.377   14.903  152.362  144.301  152.362  144.301  152.362  144.301   39.377   21.076   39.377   21.076 -0.000000 0.000000 
1 1 1  -32    0   29 o   49.530   16.057  245.042  156.071  245.042  156.071  245.042  156.071   49.530   22.708   49.530   22.708 -0.000000 0.000000 
1 1 1  -32    0   30 o  ?   ?  -665.3142  160.636 -665.3142  160.636 -665.3142  160.636  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -32    0   31 o   29.520   13.272   43.723  153.946   43.723  153.946   43.723  153.946   29.520   18.770   29.520   18.770 -0.000000 0.000000 
1 1 1  -32    0   32 o   37.973   17.138  121.363  259.765  121.363  259.765  121.363  259.765   37.973   24.237   37.973   24.237 -0.000000 0.000000 
1 1 1  -32    2    1 o  505.574   4.5025 16224.09  288.834 15865.27  398.791 16620.01  418.895  499.704   6.2843  511.443   6.4496 -11.73932 9.004938 
1 1 1  -32    2    2 o  679.004   5.6440 29295.66  486.572 28970.17  679.840 29637.49  696.704  675.143   7.9293  682.866   8.0341 -7.722900 11.28803 
1 1 1  -32    2    3 o  321.523   3.7819  6569.11  154.338  6816.08  218.285  6322.22  218.250  327.570   5.2474  315.475   5.4477 12.09531 7.563862 
1 1 1  -32    2    4 o  496.229   4.5102 15647.27  284.168 15785.86  399.242 15504.96  404.560  498.460   6.3071  493.999   6.4488 4.461609 9.020327 
1 1 1  -32    2    5 o  325.944   3.8574  6747.79  159.625  6700.27  222.822  6797.88  228.785  324.767   5.4027  327.121   5.5073 -2.354187 7.714875 
1 1 1  -32    2    6 o  240.311   3.8968  3664.41  118.761  3589.69  163.113  3748.69  173.251  237.710   5.4034  242.913   5.6163 -5.202576 7.793509 
1 1 1  -32    2    7 o  150.962   5.2004  1449.25   99.569  1433.14  144.066  1463.97  137.769  150.155   7.5552  151.770   7.1481 -1.614792 10.40073 
1 1 1  -32    2    8 o  275.924   5.6174  4837.55  196.835   0.0000   0.0000  4837.55  196.835  ?   ?   275.924   5.6174      ?      ? 
1 1 1  -32    2    9 f  136.405   5.6862  1181.59   98.342  1214.31  143.922  1152.94  134.689  138.169   8.2024  134.642   7.8773 3.527405 11.37235 
1 1 1  -32    2   10 o  174.870   4.8943  1938.12  108.422  1758.77  149.053  2139.65  158.003  166.301   7.0578  183.438   6.7826 -17.13631 9.788567 
1 1 1  -32    2   11 o  134.478   6.2634  1158.29  106.287  1283.99  148.539  1026.40  152.150  142.024   8.2357  126.932   9.4390 15.09248 12.52682 
1 1 1  -32    2   12 o  417.290   4.3198 11075.58  228.890 11260.99  323.348 10889.36  324.050  420.797   6.0509  413.783   6.1668 7.014282 8.639631 
1 1 1  -32    2   13 o   87.507   9.2019  492.111  101.756  441.274  145.059  541.363  142.778   82.998   13.763   92.016   12.219 -9.017593 18.40386 
1 1 1  -32    2   14 o  162.274   5.5322  1681.70  113.449  1485.07  159.930  1880.87  160.956  152.672   8.2488  171.876   7.3742 -19.20375 11.06446 
1 1 1  -32    2   15 f  125.774   7.3051  1007.20  116.190  884.492  159.950  1144.29  169.064  117.661   10.705  133.887   9.9434 -16.22552 14.61030 
1 1 1  -32    2   16 o   72.044   11.855  336.657  113.051  186.676  155.253  505.945  164.944   55.381   18.649   88.707   14.642 -33.32563 23.71011 
1 1 1  -32    2   17 o   84.709   11.668  501.331  121.072  705.876  166.585  272.312  176.269  104.909   12.504   64.509   19.704 40.39995 23.33674 
1 1 1  -32    2   18 o   40.190   12.309 -26.3845  118.006 -101.8613  176.767   34.295  158.495   37.479   17.030   42.902   17.776 -5.423389 24.61700 
1 1 1  -32    2   19 o   47.303   13.337   68.888  123.683  -4.9760  179.086  136.248  171.021   42.782   18.364   51.825   19.346 -9.042542 26.67397 
1 1 1  -32    2   20 o  207.770   6.0596  2757.95  159.391  2770.10  235.020  2747.60  216.896  208.142   8.8914  207.397   8.2351 0.7445374 12.11916 
1 1 1  -32    2   21 o  146.165   8.4003  1381.50  154.428  1616.57  220.180  1153.90  216.650  158.611   10.931  133.718   12.758 24.89288 16.80068 
1 1 1  -32    2   22 o   54.081   13.233  138.979  124.237 -23.9600  174.621  305.997  176.793   40.933   17.850   67.229   19.541 -26.29588 26.46637 
1 1 1  -32    2   24 o   76.808   13.329  400.727  114.785  406.481  129.917  380.252  245.062   79.120   12.930   74.495   23.313 4.625099 26.65887 
1 1 1  -32    2   25 o   38.857   12.534 -109.9419  119.692 -147.6339  139.628  -5.4870  232.440   29.932   14.116   47.783   20.717 -17.85054 25.06861 
1 1 1  -32    2   26 o   52.749   14.240  152.548  125.812  194.082  142.696   7.5315  266.638   54.371   17.867   51.126   22.177 3.245243 28.47900 
1 1 1  -32    2   27 o   55.684   15.142  141.657  132.637  101.234  152.057  270.290  271.249   46.075   17.982   65.293   24.366 -19.21807 30.28312 
1 1 1  -32    2   28 o   59.155   14.633  198.506  124.576  136.349  145.766  366.898  239.924   48.060   17.876   70.250   23.172 -22.18962 29.26587 
1 1 1  -32    2   29 o   24.428   8.5741 -317.8005  101.588 -326.0529  148.274 -310.4996  139.465   24.826   12.319   24.031   11.929 0.7955971 17.14821 
1 1 1  -32    2   30 o   23.138   11.555 -491.9613  125.575 -1165.6219  291.287 -338.1803  139.172  ?   ?    23.138   11.555      ?      ? 
1 1 1  -32    2   31 o   71.842   17.263  402.553  155.537   0.0000   0.0000  402.553  155.537  ?   ?    71.842   17.263      ?      ? 
1 1 1  -32    2   32 o   31.083   14.816 -131.8741  161.925   0.0000   0.0000 -131.8741  161.925  ?   ?    31.083   14.816      ?      ? 
1 1 1  -32    4    1 o  230.865   3.8020  3378.04  111.192  3272.99  151.112  3502.08  164.201  226.964   5.2428  234.765   5.5076 -7.800919 7.604023 
1 1 1  -32    4    2 o  633.615   5.3307 25523.57  428.908 25470.91  603.287 25577.39  609.902  632.957   7.5054  634.272   7.5719 -1.314453 10.66137 
1 1 1  -32    4    3 o  598.567   7.1754 22775.34  545.429 22775.34  545.429   0.0000   0.0000  598.567   7.1754  ?   ?       ?      ? 
1 1 1  -32    4    4 o  212.428   4.0455  2874.96  108.840  3018.45  151.102  2720.22  156.908  217.959   5.4591  206.898   5.9719 11.06071 8.091022 
1 1 1  -32    4    5 o  106.265   6.5410  716.140   88.108  680.849  120.241  757.060  129.479  103.449   9.1527  109.080   9.3470 -5.631599 13.08202 
1 1 1  -32    4    6 o  256.536   3.9735  4180.37  129.108  4159.40  176.097  4204.73  189.851  255.848   5.4199  257.224   5.8120 -1.376099 7.946990 
1 1 1  -32    4    7 o  480.428   6.2795 14671.69  383.116 14671.69  383.116   0.0000   0.0000  480.428   6.2795  ?   ?       ?      ? 
1 1 1  -32    4    8 o  251.838   4.0539  4020.76  129.145  3919.18  174.167  4144.83  192.481  248.323   5.5229  255.353   5.9357 -7.029938 8.107714 
1 1 1  -32    4    9 o  119.142   6.5334  904.094   97.747  733.296  134.947  1092.62  141.776  107.277   9.9056  131.008   8.5217 -23.73103 13.06674 
1 1 1  -32    4   10 o   61.964   11.597  255.537   96.450  156.279  138.553  348.858  134.346   51.461   17.616   72.468   15.089 -21.00617 23.19465 
1 1 1  -32    4   11 o  131.023   6.4587  1100.22  106.596  1038.50  158.545  1151.14  144.002  127.615   9.7830  134.431   8.4351 -6.816154 12.91740 
1 1 1  -32    4   12 o  143.604   6.1363  1304.64  111.480  1465.46  165.479  1171.00  150.847  151.653   8.5924  135.554   8.7629 16.09891 12.27262 
1 1 1  -32    4   13 o   68.720   12.036  325.430  108.176  195.997  161.300  431.231  145.834   56.700   19.009   80.739   14.767 -24.03897 24.07109 
1 1 1  -32    4   14 o  100.531   8.5767  668.811  105.664  497.835  155.667  814.893  143.889   88.084   13.916  112.978   10.029 -24.89378 17.15342 
1 1 1  -32    4   15 f  156.312   5.8491  1558.90  115.967  1528.34  167.181  1587.24  160.997  154.817   8.5034  157.807   8.0336 -2.990433 11.69817 
1 1 1  -32    4   16 o  184.602   5.3131  2173.12  124.273  2148.45  181.411  2194.94  170.586  183.590   7.7810  185.614   7.2369 -2.024048 10.62626 
1 1 1  -32    4   17 o   40.213   12.417 -30.5001  119.896 -55.5978  177.193  -9.3054  162.834   39.818   17.648   40.607   17.472 -0.7881203 24.83382 
1 1 1  -32    4   18 o   46.418   12.969   39.127  120.996  179.314  177.861 -81.6373  165.081   55.961   19.902   36.875   16.635 19.08644 25.93863 
1 1 1  -32    4   19 o  169.014   6.6854  1827.90  143.270  1963.24  204.314  1696.97  200.956  175.206   9.1827  162.822   9.7187 12.38414 13.37073 
1 1 1  -32    4   20 o   40.323   12.184 -96.1090  128.814 -366.6828  194.352  115.868  172.025   30.543   14.949   50.103   19.243 -19.56011 24.36726 
1 1 1  -32    4   21 o   49.097   11.844  146.147   93.666  207.430  116.556   34.416  157.380   55.664   15.770   42.530   17.675 13.13331 23.68744 
1 1 1  -32    4   22 o   29.021   14.240 -501.4889   98.466 -565.7073  117.676 -351.5302  179.822  ?   ?    29.021   14.240      ?      ? 
1 1 1  -32    4   23 o   28.517   10.005 -317.9383  111.501 -316.4310  130.736 -321.9599  213.553   23.125   11.491   33.909   16.382 -10.78439 20.01019 
1 1 1  -32    4   24 o   86.578   12.547  562.655  121.393  634.957  143.435  380.128  227.900   99.072   11.401   74.084   22.355 24.98736 25.09443 
1 1 1  -32    4   25 o   78.354   13.091  429.047  121.438  436.053  146.265  413.502  217.874   80.201   14.910   76.506   21.521 3.695145 26.18133 
1 1 1  -32    4   26 o   75.759   13.767  364.954  124.498  294.297  147.520  539.838  232.085   64.898   17.500   86.621   21.257 -21.72288 27.53368 
1 1 1  -32    4   27 o   44.222   12.451 -165.3459  123.613 -397.9627  151.835  291.894  212.874   23.930   11.968   64.513   21.837 -40.58277 24.90111 
1 1 1  -32    4   28 o   37.553   11.545 -75.7717  122.554  105.374  145.161 -525.3026  228.674   45.045   17.573   30.060   14.979 14.98563 23.09057 
1 1 1  -32    4   29 o  476.519   7.5903 15278.91  454.929 13520.10  660.513 16866.26  627.490  448.258   11.603  504.780   9.7888 -56.52225 15.18067 
1 1 1  -32    4   30 o   47.593   15.327 -28.0435  194.552  144.487  326.287 -123.2206  242.344   55.020   24.185   40.167   18.834 14.85288 30.65314 
1 1 1  -32    4   31 o   49.288   18.390  182.488  154.501   0.0000   0.0000  182.488  154.501  ?   ?    49.288   18.390      ?      ? 
1 1 1  -32    6    1 o  369.295   4.6440  8775.63  212.539  8177.21  333.264  9185.87  275.937  358.483   7.3205  380.107   5.7165 -21.62375 9.288062 
1 1 1  -32    6    2 o  256.006   5.1118  4165.65  166.190  4165.65  166.190   0.0000   0.0000  256.006   5.1118  ?   ?       ?      ? 
1 1 1  -32    6    3 o   90.786   7.2939  529.469   82.574  548.592  108.184  502.781  127.807   92.802   9.1797   88.769   11.337 4.033371 14.58781 
1 1 1  -32    6    4 o  302.153   3.7725  5794.38  143.936  5722.07  192.970  5885.07  216.099  300.048   5.0643  304.259   5.5928 -4.211060 7.545027 
1 1 1  -32    6    5 o  102.487   6.9542  676.821   89.357  729.821  120.341  611.687  133.407  107.045   8.8526   97.929   10.727 9.116196 13.90840 
1 1 1  -32    6    6 o  110.222   6.7585  777.761   94.085  690.223  133.879  863.179  132.248  104.042   10.133  116.403   8.9464 -12.36129 13.51706 
1 1 1  -32    6    7 o  183.673   4.6762  2152.67  108.510  2219.04  147.532  2074.45  160.156  186.787   6.2196  180.560   6.9847 6.227264 9.352468 
1 1 1  -32    6    8 o  132.516   5.9705  1119.52  100.390  1086.78  143.489  1150.90  140.505  130.606   8.6512  134.426   8.2306 -3.819382 11.94094 
1 1 1  -32    6    9 o  107.744   7.4123  743.847  100.368  879.670  143.559  613.973  140.380  117.447   9.6252   98.041   11.275 19.40625 14.82466 
1 1 1  -32    6   10 o  303.908   4.1236  5865.64  158.737  5759.87  215.998  5989.86  234.064  300.949   5.6517  306.867   6.0063 -5.918549 8.247268 
1 1 1  -32    6   11 o  220.206   4.6236  3084.96  128.952  3075.02  175.928  3096.50  189.567  219.840   6.3016  220.572   6.7676 -0.7318573 9.247197 
1 1 1  -32    6   12 o   50.819   12.097  142.554   96.492   64.813  132.105  231.464  141.276   42.239   16.677   59.400   17.527 -17.16097 24.19329 
1 1 1  -32    6   13 o  248.894   4.5069  3928.25  141.589  3818.04  188.930  4069.46  213.851  244.953   6.0735  252.835   6.6604 -7.881958 9.013758 
1 1 1  -32    6   14 o   44.478   12.273   70.207  102.276   15.275  142.417  128.708  146.971   39.650   16.670   49.305   18.018 -9.655201 24.54603 
1 1 1  -32    6   15 o  141.800   6.3609  1283.54  114.442  1357.78  163.158  1211.63  160.563  145.852   8.8089  137.748   9.1787 8.103577 12.72181 
1 1 1  -32    6   16 o  218.029   5.0624  3033.18  139.818  3084.26  192.036  2975.56  203.968  220.017   6.8731  216.042   7.4344 3.975128 10.12470 
1 1 1  -32    6   17 o   64.494   11.904  284.452   92.978  298.533  110.009  249.242  173.961   66.939   13.409   62.050   19.672 4.888451 23.80751 
1 1 1  -32    6   18 o  196.753   4.9992  2495.25  117.824  2550.84  145.259  2388.32  201.458  200.142   5.7151  193.365   8.2041 6.777481 9.998487 
1 1 1  -32    6   19 o   60.841   12.273  239.812   96.008  217.763  118.843  281.238  162.898   56.998   15.846   64.685   18.745 -7.687302 24.54502 
1 1 1  -32    6   20 f   88.434   9.3328  482.498   99.760  434.658  121.165  583.176  175.771   82.133   11.617   94.736   14.610 -12.60269 18.66560 
1 1 1  -32    6   21 o  146.122   7.1887  1245.54  122.798  1073.17  143.826  1709.12  235.873  129.423   8.7508  162.820   11.408 -33.39783 14.37738 
1 1 1  -32    6   22 o   26.157   9.3396 -425.6951  114.324 -404.4759  133.978 -482.5245  219.259   21.598   10.863   30.715   15.196 -9.117073 18.67912 
1 1 1  -32    6   23 o  113.645   8.5095  788.814  116.234  698.166  140.028  989.662  208.435  104.017   10.601  123.273   13.314 -19.25681 17.01909 
1 1 1  -32    6   24 o   49.482   12.361  124.889  116.180  254.454  138.433 -183.7733  213.667   60.902   17.163   38.062   17.795 22.83989 24.72296 
1 1 1  -32    6   25 o   56.501   14.066  197.564  119.605  190.900  145.090  211.697  211.288   54.007   18.029   58.994   21.596 -4.986752 28.13264 
1 1 1  -32    6   26 o   61.573   13.798  274.364  120.799  315.832  144.152  176.569  221.372   66.843   16.956   56.303   21.774 10.53967 27.59689 
1 1 1  -32    6   27 o   58.004   15.955  167.126  170.407  343.469  271.199   52.079  219.052   68.293   24.544   47.715   20.391 20.57782 31.90941 
1 1 1  -32    6   28 o  142.049   9.1362  1643.00  218.942 -979.3770  310.433  4238.43  308.834   30.661   15.550  253.437   9.5957 -222.7761 18.27239 
1 1 1  -32    6   29 f   34.566   11.944 -369.7236  174.647 -207.4621  246.385 -533.5851  247.596   38.140   18.206   30.992   15.467 7.147881 23.88878 
1 1 1  -32    6   30 f   41.730   13.591 -40.2821  166.788 -70.5605  241.486 -12.6638  230.635   41.039   19.096   42.420   19.344 -1.381393 27.18184 
1 1 1  -32    8    1 o  350.060   3.9922  7815.29  176.602  8039.84  240.244  7551.29  260.490  355.578   5.3203  344.542   5.9535 11.03595 7.984352 
1 1 1  -32    8    2 o  302.854   3.8779  5845.08  147.274  5912.75  194.154  5753.37  226.011  304.961   5.0133  300.747   5.9176 4.213654 7.755763 
1 1 1  -32    8    3 o  117.285   5.9881  862.417   87.765  802.561  112.874  953.932  139.569  112.248   7.9184  122.321   8.9848 -10.07305 11.97615 
1 1 1  -32    8    4 o  264.318   4.2602  4393.72  138.265  4253.90  173.268  4638.83  229.414  258.651   5.2751  269.984   6.6912 -11.33334 8.520478 
1 1 1  -32    8    5 o  286.798   4.0436  5224.41  146.245  5172.61  195.152  5290.75  220.873  285.206   5.3881  288.391   6.0309 -3.184601 8.087251 
1 1 1  -32    8    6 o  194.884   4.4077  2412.48  108.690  2371.87  147.014  2461.44  161.415  193.093   5.9953  196.675   6.4627 -3.582596 8.815388 
1 1 1  -32    8    7 o  133.742   5.6649  1137.18   95.381  1121.51  126.422  1157.89  145.324  132.702   7.5018  134.781   8.4904 -2.078995 11.32980 
1 1 1  -32    8    8 o   60.509   11.077  239.301   89.066  146.143  122.694  343.078  129.498   49.210   16.578   71.808   14.696 -22.59863 22.15426 
1 1 1  -32    8    9 o  240.670   4.3164  3660.13  130.328  3530.30  170.186  3844.25  202.662  235.578   5.6887  245.762   6.4935 -10.18388 8.632897 
1 1 1  -32    8   10 o  205.036   4.7119  2662.50  121.257  2589.14  158.774  2765.17  187.833  201.702   6.1986  208.372   7.0983 -6.670013 9.423836 
1 1 1  -32    8   11 o   86.413   8.6239  479.489   94.270  490.461  128.680  466.780  138.495   87.521   11.578   85.304   12.785 2.216850 17.24782 
1 1 1  -32    8   12 o   58.897   11.595  223.191   95.769  112.173  133.911  339.418  137.017   46.594   17.172   71.200   15.586 -24.60656 23.19081 
1 1 1  -32    8   13 o   45.962   11.790  114.125   84.608  120.533  101.749   99.766  152.317   44.714   15.097   47.211   18.113 -2.496532 23.57966 
1 1 1  -32    8   14 o  140.858   6.4807  1263.80  115.926  1263.80  115.926   0.0000   0.0000  140.858   6.4807  ?   ?       ?      ? 
1 1 1  -32    8   15 o  124.842   6.4940  962.217   96.887  900.942  116.866  1096.90  173.264  118.827   7.7445  130.857   10.426 -12.02941 12.98800 
1 1 1  -32    8   16 o  147.925   5.9522  1392.66  104.515  1382.67  126.780  1413.84  184.647  147.264   6.7792  148.586   9.7856 -1.321976 11.90441 
1 1 1  -32    8   17 o   77.115   11.229  424.129  100.352  475.924  121.704  314.122  177.368   86.051   11.137   68.179   19.502 17.87164 22.45798 
1 1 1  -32    8   18 o   59.452   12.301  248.579  100.715  302.026  121.904  133.645  178.764   66.939   14.739   51.965   19.697 14.97332 24.60150 
1 1 1  -32    8   19 o   61.233   11.027   62.178  105.480 -135.9365  123.278  603.554  203.787   28.035   13.234   94.430   17.642 -66.39484 22.05459 
1 1 1  -32    8   20 o  149.315   12.985  1446.12  246.211   0.0000   0.0000  1446.12  246.211  ?   ?   149.315   12.985      ?      ? 
1 1 1  -32    8   21 o   36.374   11.543 -144.6576  108.418 -247.2623  132.641   61.885  188.191   25.335   12.389   47.413   19.479 -22.07808 23.08544 
1 1 1  -32    8   22 o  127.193   7.9921  979.183  123.692  824.028  150.787  1298.36  216.272  112.962   10.511  141.425   12.042 -28.46329 15.98422 
1 1 1  -32    8   23 o   41.245   12.643   0.2036  118.796   33.856  145.146 -68.0811  206.757   40.604   16.932   41.886   18.780 -1.281414 25.28614 
1 1 1  -32    8   24 o  103.219   10.177  651.276  127.477  523.480  154.887  919.602  224.434   88.980   13.707  117.459   15.046 -28.47874 20.35365 
1 1 1  -32    8   25 o   95.328   15.102  664.758  173.704  683.170  285.348  653.918  218.946   94.938   23.732   95.717   18.683 -0.7787704 30.20374 
1 1 1  -32    8   26 o   46.505   14.916 -32.4103  177.580 -362.0854  387.471   55.248  199.798   46.887   22.502   46.124   19.586 0.7638931 29.83182 
1 1 1  -32    8   27 o  350.098   6.5733  7946.65  287.721  6220.58  383.556 10167.81  435.099  306.528   9.8533  393.668   8.7032 -87.14017 13.14662 
1 1 1  -32    8   28 o   43.825   13.973  -9.9218  163.637   23.101  243.939 -36.9389  220.646   45.958   20.517   41.692   18.976 4.266823 27.94691 
1 1 1  -32    8   29 o   37.263   12.602 -191.6219  162.267 -56.0332  258.200 -280.1301  208.610   42.603   19.798   31.924   15.596 10.67928 25.20323 
1 1 1  -32   10    1 o  106.790   6.9054  730.254   92.050  737.609  119.980  719.731  143.514  107.508   8.7880  106.072   10.654 1.436264 13.81075 
1 1 1  -32   10    2 f  161.704   4.8849  1677.14   99.015  1747.38  131.579  1585.43  150.345  165.680   6.2538  157.727   7.5059 7.952209 9.769772 
1 1 1  -32   10    3 o  351.099   4.1880  7821.12  182.958  7727.76  235.535  7963.14  290.512  348.543   5.3214  353.656   6.4685 -5.113861 8.376079 
1 1 1  -32   10    4 o  113.061   6.0693  819.995   86.021  845.961  113.977  785.629  131.122  115.199   7.7910  110.922   9.3085 4.276779 12.13866 
1 1 1  -32   10    5 o  113.175   6.7241  826.861   92.240  848.798  115.329  787.917  153.663  115.385   7.8707  110.965   10.905 4.420738 13.44830 
1 1 1  -32   10    6 o  130.033   6.7789  1075.32  111.589  1139.89  166.009  1022.10  150.718  133.561   9.7875  126.505   9.3817 7.056274 13.55771 
1 1 1  -32   10    7 o  251.724   4.1062  3944.59  116.670  3844.88  135.835  4225.06  227.815  245.917   4.3496  257.531   6.9659 -11.61353 8.212304 
1 1 1  -32   10    8 o  162.297   5.1188  1705.07   94.026  1738.36  110.881  1619.86  177.404  165.300   5.2821  159.295   8.7697 6.005234 10.23757 
1 1 1  -32   10    9 o  136.477   5.7047  1261.12   89.269  1382.98  108.646  1007.90  156.617  147.403   5.8040  125.552   9.8228 21.85064 11.40941 
1 1 1  -32   10   10 o  224.041   4.4773  3111.66  114.377  3009.10  133.772  3390.42  220.547  217.500   4.8431  230.581   7.5318 -13.08113 8.954563 
1 1 1  -32   10   11 o   51.250   12.055  137.046   85.693   96.316  101.244  239.933  160.913   41.821   15.000   60.679   18.875 -18.85777 24.10976 
1 1 1  -32   10   12 o  140.006   6.1023  1271.12   95.357  1292.47  111.491  1212.97  184.030  142.442   6.1634  137.569   10.534 4.873337 12.20460 
1 1 1  -32   10   13 o  122.277   6.7543  957.375   94.033  957.542  110.768  956.942  177.918  122.520   7.1192  122.035   11.480 0.4852982 13.50864 
1 1 1  -32   10   14 o  158.583   5.4981  1527.22  102.697  1407.98  121.944  1818.08  190.454  148.607   6.4617  168.560   8.8973 -19.95313 10.99615 
1 1 1  -32   10   15 o  147.365   6.0353  1386.04  102.641  1381.22  121.878  1397.79  190.348  147.159   6.5217  147.570   10.157 -0.4113312 12.07064 
1 1 1  -32   10   16 o   75.110   12.212  345.866  101.345  307.397  116.066  469.320  207.924   67.657   13.971   82.562   20.035 -14.90490 24.42500 
1 1 1  -32   10   17 o  244.501   5.7102  3289.33  161.208  2629.55  186.408  5246.68  321.068  202.871   7.2355  286.130   8.8360 -83.25890 11.42046 
1 1 1  -32   10   18 o   48.044   13.467   94.779  120.323  138.593  144.261  -5.3747  218.110   49.479   17.886   46.609   20.138 2.869579 26.93371 
1 1 1  -32   10   19 o  116.355   8.4174  825.864  119.786  699.829  147.126  1073.68  206.304  104.092   11.130  128.619   12.631 -24.52657 16.83483 
1 1 1  -32   10   20 o   61.076   13.216  234.490  110.166  176.641  138.398  334.541  182.008   52.648   17.608   69.503   19.712 -16.85539 26.43120 
1 1 1  -32   10   21 o   59.921   13.129  244.767  117.597  338.409  154.104  114.210  181.961   69.798   17.436   50.044   19.632 19.75390 26.25724 
1 1 1  -32   10   22 o  111.144   9.4691  835.184  125.991  886.289  157.407  744.070  210.177  116.756   10.616  105.531   15.683 11.22484 18.93821 
1 1 1  -32   10   23 o   75.065   15.742  398.254  155.420  487.416  262.684  350.230  192.785   80.543   23.933   69.587   20.457 10.95618 31.48438 
1 1 1  -32   10   24 o   74.819   18.163  356.215  173.233  622.104  397.604  293.917  192.460   86.035   29.822   63.602   20.743 22.43322 36.32613 
1 1 1  -32   10   25 f   39.416   12.572 -168.0427  151.102  103.009  205.603 -486.3755  222.815   48.862   20.245   29.970   14.910 18.89175 25.14358 
1 1 1  -32   10   26 o   29.737   14.795 -660.1687  146.967 -819.8105  197.874 -463.7487  219.487  ?   ?    29.737   14.795      ?      ? 
1 1 1  -32   10   27 f   44.426   13.464   27.258  151.181 -218.5316  236.989  195.916  196.313   36.510   17.542   52.342   20.431 -15.83237 26.92825 
1 1 1  -32   10   28 f   46.851   13.911   55.938  166.099 -301.1346  262.306  294.954  214.607   35.701   17.451   58.002   21.668 -22.30073 27.82152 
1 1 1  -32   12    1 o  224.386   4.2410  3196.12  107.417  3183.05  125.697  3231.52  206.837  223.701   4.4246  225.070   7.2366 -1.368301 8.482077 
1 1 1  -32   12    2 o   95.920   7.4919  611.393   80.362  637.857   94.785  543.738  151.552   99.982   7.4651   91.857   12.992 8.125214 14.98385 
1 1 1  -32   12    3 f  120.876   6.1442  970.980   83.786  1020.21   99.513  851.106  155.289  126.544   6.1925  115.208   10.614 11.33605 12.28842 
1 1 1  -32   12    4 o  299.427   4.2387  5566.79  139.823  5427.39  160.664  6001.98  283.875  292.121   4.3309  306.733   7.2877 -14.61139 8.477439 
1 1 1  -32   12    5 f   69.980   9.2248  287.932   77.274  195.188   94.436  475.860  134.428   53.967   13.742   85.992   12.310 -32.02436 18.44964 
1 1 1  -32   12    6 o  193.610   4.5249  2422.14  101.172  2470.82  120.899  2308.40  184.801  197.055   4.8312  190.165   7.6524 6.889587 9.049825 
1 1 1  -32   12    7 o  165.718   5.0228  1704.54   95.244  1645.91  111.621  1861.51  182.646  160.778   5.4669  170.658   8.4276 -9.880524 10.04551 
1 1 1  -32   12    8 o   82.193   8.8819  374.382   83.212  285.987   96.583  628.980  163.913   65.666   12.025   98.720   13.075 -33.05389 17.76374 
1 1 1  -32   12    9 o  109.023   6.8970  754.319   88.792  741.596  106.981  782.488  159.182  107.743   7.8188  110.303   11.364 -2.559502 13.79398 
1 1 1  -32   12   10 o   36.109   10.739   0.5595   88.245   69.933  110.674 -120.5232  146.215   39.960   15.412   32.258   14.959 7.701283 21.47769 
1 1 1  -32   12   11 o   61.383   12.142  231.784   92.741  190.412  111.055  327.124  168.586   53.472   15.472   69.293   18.717 -15.82126 24.28384 
1 1 1  -32   12   12 o   59.577   12.457  219.419   93.797  190.568  111.172  290.690  174.734   53.468   15.483   65.687   19.519 -12.21854 24.91424 
1 1 1  -32   12   13 o   40.733   12.143 -109.1826  103.547 -208.6013  120.379  173.633  203.034   24.727   12.028   56.739   21.099 -32.01239 24.28697 
1 1 1  -32   12   14 f  490.014   5.8232 15266.91  352.614 20613.08  525.820 10898.04  475.335  567.873   7.2914  412.155   9.0816 155.7181 11.64642 
1 1 1  -32   12   15 o   29.829   10.315 -259.8291  107.036 -280.9929  125.903 -204.6606  203.276   23.333   11.538   36.325   17.101 -12.99135 20.62916 
1 1 1  -32   12   16 o  146.222   6.6977  1369.98  112.927  1363.48  134.010  1385.88  209.738  146.005   7.2275  146.439   11.278 -0.4336853 13.39537 
1 1 1  -32   12   17 o   58.665   11.765  247.709  108.592  378.184  132.120 -23.9573  190.644   74.829   14.426   42.500   18.589 32.32928 23.52990 
1 1 1  -32   12   18 o   91.411   10.428  532.457  117.899  476.105  147.909  630.657  195.251   85.230   13.665   97.592   15.754 -12.36284 20.85530 
1 1 1  -32   12   19 o   87.010   11.872  520.248  124.466  534.771  158.349  496.769  201.338   90.088   13.841   83.932   19.293 6.156067 23.74482 
1 1 1  -32   12   20 o   69.775   13.354  326.232  118.364  262.100  147.919  440.396  197.357   61.224   17.897   78.325   19.824 -17.10089 26.70746 
1 1 1  -32   12   21 o   49.389   15.148   32.585  164.436   44.888  295.998   27.094  197.759   53.797   23.351   44.982   19.302 8.815231 30.29609 
1 1 1  -32   12   22 o   41.338   13.452 -93.9711  157.118 -197.6712  274.665 -43.5337  191.553   42.421   19.942   40.255   18.060 2.166122 26.90448 
1 1 1  -32   12   23 o   31.204   15.811 -856.9158  170.199 -808.8727  201.935 -974.7598  316.263  ?   ?    31.204   15.811      ?      ? 
1 1 1  -32   12   24 o   33.026   11.439 -344.2047  158.440 -388.8441  210.672 -286.0808  240.395   30.353   14.994   35.698   17.279 -5.344944 22.87711 
1 1 1  -32   12   25 o   45.062   14.015   53.808  147.656   66.997  257.158   47.321  180.349   48.068   21.284   42.056   18.241 6.011368 28.03098 
1 1 1  -32   12   26 o   47.256   14.635   35.177  164.090  293.936  277.166 -104.4608  203.607   58.064   23.722   36.447   17.145 21.61726 29.26942 
1 1 1  -32   14    1 o  289.274   4.9757  5444.86  174.937  5721.23  221.015  4981.30  286.245  299.560   5.8098  278.988   8.0793 20.57202 9.951330 
1 1 1  -32   14    2 o  260.905   5.0455  3977.04  155.352  3422.54  183.372  5387.08  292.413  231.628   6.2339  290.182   7.9350 -58.55382 10.09092 
1 1 1  -32   14    3 o  275.899   5.1826  4349.96  167.474  3637.85  196.076  6270.72  322.025  238.764   6.4666  313.034   8.1007 -74.27069 10.36523 
1 1 1  -32   14    4 o  192.880   6.0101  2233.29  138.800  1969.04  166.446  2836.56  251.488  175.513   7.4677  210.247   9.4191 -34.73389 12.02024 
1 1 1  -32   14    5 o  393.081   5.2458  9604.22  241.669  9196.24  287.696 10582.17  445.423  379.751   5.9656  406.412   8.6304 -26.66083 10.49152 
1 1 1  -32   14    6 o  352.394   4.9118  8235.18  210.778  9414.41  275.609  6573.74  327.144  384.301   5.6473  320.487   8.0380 63.81357 9.823580 
1 1 1  -32   14    7 o  130.687   11.441  1102.41  189.880   0.0000   0.0000  1102.41  189.880  ?   ?   130.687   11.441      ?      ? 
1 1 1  -32   14    8 o   41.685   12.258  -7.4329  107.129 -82.6567  133.890  126.418  178.600   32.193   14.703   51.177   19.619 -18.98407 24.51665 
1 1 1  -32   14    9 o  165.817   5.5935  1616.76  106.228  1451.18  123.088  2100.05  210.285  150.768   6.4288  180.866   9.1553 -30.09856 11.18704 
1 1 1  -32   14   10 o   71.218   11.445  346.335   94.649  357.487  111.591  317.744  178.676   74.335   11.821   68.101   19.602 6.233727 22.89044 
1 1 1  -32   14   11 o  162.191   5.7229  1623.76  106.652  1545.89  125.007  1832.05  204.454  155.596   6.3265  168.786   9.5386 -13.19006 11.44588 
1 1 1  -32   14   12 o  144.410   6.8944  1401.15  114.061  1491.64  137.435  1200.86  204.457  152.703   7.0872  136.117   11.828 16.58546 13.78871 
1 1 1  -32   14   13 o   43.239   11.744   62.100  103.988  171.014  125.942 -171.2149  184.332   51.416   16.780   35.062   16.435 16.35425 23.48814 
1 1 1  -32   14   14 o  133.504   6.8563  1120.20  112.744  1034.84  140.898  1272.14  187.984  126.819   8.7487  140.189   10.559 -13.36966 13.71258 
1 1 1  -32   14   15 o   44.808   12.509   29.556  104.437 -51.5023  126.612  202.111  184.730   32.592   14.648   57.024   20.282 -24.43171 25.01888 
1 1 1  -32   14   16 o   77.421   12.364  411.419  113.877  393.805  139.984  445.884  195.812   75.729   15.086   79.113   19.593 -3.384262 24.72758 
1 1 1  -32   14   17 o   75.400   12.410  377.319  112.548  312.554  138.457  503.470  193.236   66.700   16.449   84.101   18.588 -17.40066 24.82085 
1 1 1  -32   14   18 o   38.488   12.485 -102.7597  138.873 -134.7975  199.402 -72.5839  193.521   37.514   17.422   39.462   17.887 -1.947693 24.96953 
1 1 1  -32   14   19 o  125.639   10.121  1056.64  157.333  1145.51  256.526  1003.06  199.198  128.997   15.659  122.281   12.828 6.715782 20.24260 
1 1 1  -32   14   20 o  ?   ?  -893.3660  147.674 -710.8943  190.950 -1164.9160  232.941  ?   ?   ?   ?       ?      ? 
1 1 1  -32   14   21 o   34.764   11.487 -208.1422  141.949   12.911  171.083 -696.5449  254.300   40.231   17.602   29.297   14.764 10.93403 22.97467 
1 1 1  -32   14   22 o   78.903   12.598  505.404  160.266   11.731  238.471  912.041  216.430   44.976   20.167  112.829   15.105 -67.85324 25.19634 
1 1 1  -32   14   23 o   67.274   15.412  293.887  161.468  743.661  282.396   75.417  196.815   90.232   24.162   44.316   19.138 45.91580 30.82353 
1 1 1  -32   14   24 o   87.642   16.467  680.223  181.376  913.531  304.189  551.518  225.932   97.534   24.571   77.751   21.931 19.78323 32.93480 
1 1 1  -32   16    1 o  218.015   5.0436  3129.16  123.012  3229.92  144.652  2865.91  233.805  225.020   5.0620  211.009   8.7252 14.01181 10.08728 
1 1 1  -32   16    2 o   43.778   12.474   54.880   96.273   28.572  112.420  127.239  186.446   36.163   14.976   51.393   19.952 -15.23095 24.94738 
1 1 1  -32   16    3 o   52.761   10.575  190.962   97.677  336.721  116.201 -160.0518  180.323   70.627   13.447   34.896   16.325 35.73096 21.15010 
1 1 1  -32   16    4 o  171.408   6.3181  1878.75  137.528  1878.75  137.528   0.0000   0.0000  171.408   6.3181  ?   ?       ?      ? 
1 1 1  -32   16    5 o  195.003   5.4288  2484.14  119.892  2540.87  141.632  2340.74  225.196  199.481   5.5909  190.525   9.3075 8.956528 10.85760 
1 1 1  -32   16    6 o  147.958   6.5465  1380.46  112.661  1335.38  133.670  1491.04  209.334  144.316   7.2936  151.600   10.873 -7.284531 13.09296 
1 1 1  -32   16    7 f   90.998   11.069  621.422  103.405  684.701  120.246  441.782  202.601  103.024   9.1908   78.972   20.139 24.05163 22.13721 
1 1 1  -32   16    8 o  139.222   7.5798  1309.02  120.426  1385.17  144.549  1136.22  217.731  146.839   7.7517  131.604   13.028 15.23502 15.15958 
1 1 1  -32   16    9 o   71.087   12.741  316.724  112.414  222.092  137.267  509.442  195.889   57.029   17.381   85.145   18.634 -28.11576 25.48194 
1 1 1  -32   16   10 o  146.032   6.6856  1322.26  113.950  1239.30  134.745  1530.53  213.508  138.819   7.6434  153.245   10.971 -14.42587 13.37113 
1 1 1  -32   16   11 o   77.529   11.587  427.856  104.143  452.346  125.027  372.357  188.214   83.030   11.857   72.028   19.911 11.00137 23.17442 
1 1 1  -32   16   12 o  120.633   7.6751  920.796  112.935  846.007  139.103  1065.43  193.443  114.074   9.6022  127.193   11.976 -13.11966 15.35015 
1 1 1  -32   16   13 o   55.511   13.098  169.579  110.645   72.206  137.788  346.362  185.657   42.084   16.894   68.938   20.021 -26.85409 26.19675 
1 1 1  -32   16   14 o   87.202   11.617  577.760  117.803  692.984  148.994  385.604  192.409  102.332   11.465   72.073   20.207 30.25893 23.23301 
1 1 1  -32   16   15 o   35.431   11.655 -182.3119  129.838 -327.2318  173.470   2.2885  195.784   28.076   13.818   42.787   18.773 -14.71079 23.30992 
1 1 1  -32   16   16 o   32.213   15.960 -694.2326  156.633 -839.1163  203.552 -483.8981  245.257  ?   ?    32.213   15.960      ?      ? 
1 1 1  -32   16   17 o  109.699   11.340  1022.43  174.315  2077.15  244.162 -74.0191  248.946  176.094   10.918   43.304   19.878 132.7894 22.67909 
1 1 1  -32   16   18 o   35.558   11.997 -190.7121  150.105 -239.3208  230.509 -154.9238  197.789   35.855   17.246   35.261   16.681 0.5937729 23.99330 
1 1 1  -32   16   19 o   44.433   13.484   19.366  141.549  208.747  218.198 -118.2418  185.996   53.897   21.385   34.969   16.429 18.92838 26.96716 
1 1 1  -32   16   20 o   60.442   14.955  320.915  145.970  227.904  244.013  372.747  182.156   54.506   22.262   66.378   19.976 -11.87196 29.91094 
1 1 1  -32   16   21 o   50.627   15.181  179.337  164.020  213.819  275.335  160.369  204.208   52.937   22.747   48.318   20.111 4.618462 30.36294 
1 1 1  -32   18    1 o   59.951   14.299  265.746  128.127  303.559  151.237  169.595  241.164   64.377   17.868   55.525   22.329 8.852066 28.59825 
1 1 1  -32   18    2 o  118.910   8.3595  917.930  111.738  889.883  129.952  997.478  218.854  116.793   8.7617  121.028   14.239 -4.235703 16.71905 
1 1 1  -32   18    3 o   46.921   12.144  139.992   96.752  190.775  109.775 -36.7515  204.795   52.039   15.473   41.803   18.720 10.23677 24.28702 
1 1 1  -32   18    4 o  235.571   5.3900  3369.67  133.652  3203.39  149.846  4016.63  295.577  223.503   5.2794  247.639   9.3988 -24.13635 10.78007 
1 1 1  -32   18    5 o   41.752   12.797 -70.2244  105.862 -140.4156  118.873  198.790  232.718   26.544   12.664   56.960   22.242 -30.41521 25.59425 
1 1 1  -32   18    6 o  112.597   8.4564  687.840  105.571  541.893  119.007  1226.90  228.715   90.597   10.344  134.598   13.381 -44.00087 16.91275 
1 1 1  -32   18    7 o   58.561   14.307  156.617  108.604   88.799  120.200  458.102  253.434   41.314   16.025   75.809   23.706 -34.49432 28.61412 
1 1 1  -32   18    8 o   80.717   14.360  468.848  115.288  460.938  124.472  516.599  305.814   82.902   11.823   78.533   26.173 4.369385 28.71951 
1 1 1  -32   18    9 o   50.279   23.050 -829.6678  143.153 -1004.0860  158.526 -58.9497  333.236  ?   ?    50.279   23.050      ?      ? 
1 1 1  -32   18   10 o  231.560   6.8082  3830.23  170.244  4171.79  200.698  2953.92  321.471  254.146   6.2184  208.975   12.114 45.17139 13.61642 
1 1 1  -32   18   11 o  105.960   9.5599  631.099  112.208  499.547  126.461  1118.03  243.298   85.992   11.580  125.928   15.214 -39.93664 19.11971 
1 1 1  -32   18   12 o   37.665   12.269 -141.1913  124.560 -242.0043  149.135   91.353  226.503   26.906   13.153   48.423   20.715 -21.51728 24.53823 
1 1 1  -32   18   13 o  119.980   10.285  1019.53  156.128  1142.58  226.879  908.852  215.182  127.274   14.037  112.686   15.037 14.58805 20.57064 
1 1 1  -32   18   14 o   70.530   14.802  407.907  138.984  469.092  226.492  370.952  176.022   73.524   22.308   67.535   19.461 5.989433 29.60368 
1 1 1  -32   18   15 o   37.998   12.545 -93.4666  150.699 -175.1103  227.643 -29.7740  201.065   36.547   17.461   39.448   18.017 -2.901089 25.08940 
1 1 1  -32   18   16 o   55.635   14.010  232.598  151.531 -55.0216  233.856  440.759  198.947   40.438   18.809   70.832   20.770 -30.39414 28.02055 
1 1 1  -32   20    1 o  137.226   9.2829  1270.56  161.770  1270.56  161.770   0.0000   0.0000  137.226   9.2829  ?   ?       ?      ? 
1 1 1  -32   20    2 o   39.783   17.238   47.225  160.755   47.225  160.755   0.0000   0.0000   39.783   17.238  ?   ?       ?      ? 
1 1 1  -32   20    3 f   59.229   18.232  285.798  150.573  285.798  150.573   0.0000   0.0000   59.229   18.232  ?   ?       ?      ? 
1 1 1  -32   20    4 o   67.815   17.992  372.292  157.497  372.292  157.497   0.0000   0.0000   67.815   17.992  ?   ?       ?      ? 
1 1 1  -32   20    5 o   47.325   18.075  161.290  151.241  161.290  151.241   0.0000   0.0000   47.325   18.075  ?   ?       ?      ? 
1 1 1  -32   20    6 o   42.486   17.550   98.523  153.814   98.523  153.814   0.0000   0.0000   42.486   17.550  ?   ?       ?      ? 
1 1 1  -32   20    7 o   35.670   15.876   4.4320  144.892   4.4320  144.892   0.0000   0.0000   35.670   15.876  ?   ?       ?      ? 
1 1 1  -32   20    8 o   40.728   17.031   83.540  147.413   83.540  147.413   0.0000   0.0000   40.728   17.031  ?   ?       ?      ? 
1 1 1  -32   20    9 o   41.494   18.651   32.622  205.314   32.622  205.314   0.0000   0.0000   41.494   18.651  ?   ?       ?      ? 
1 1 1  -31    1    1 o  367.605   3.8058  8583.54  177.662  8624.17  250.743  8542.58  251.765  368.480   5.3584  366.731   5.4059 1.748260 7.611618 
1 1 1  -31    1    2 o  216.929   3.9566  2961.68  108.498  2670.30  145.575  3325.79  162.735  205.036   5.5909  228.822   5.6002 -23.78578 7.913293 
1 1 1  -31    1    3 o  236.599   3.7980  3554.16  114.056  3513.71  158.368  3597.76  164.399  235.202   5.3021  237.997   5.4394 -2.794693 7.596019 
1 1 1  -31    1    4 o  585.083   5.0157 21741.66  372.589 21446.41  520.271 22052.51  533.831  581.008   7.0513  589.157   7.1350 -8.148987 10.03142 
1 1 1  -31    1    5 o  599.294   5.1511 22811.85  391.928 22533.33  546.880 23105.94  561.969  595.537   7.2311  603.051   7.3380 -7.513855 10.30223 
1 1 1  -31    1    6 o  396.118   4.0780  9966.24  205.131 10067.15  291.711  9867.54  288.514  398.101   5.7701  394.135   5.7643 3.966339 8.156023 
1 1 1  -31    1    7 o  476.314   4.4533 14400.21  269.195 14083.54  372.567 14746.11  389.387  470.842   6.2309  481.786   6.3643 -10.94315 8.906650 
1 1 1  -31    1    8 o  643.321   5.4546 26299.74  445.603 26203.87  626.869 26397.67  633.540  642.138   7.6872  644.505   7.7405 -2.366394 10.90914 
1 1 1  -31    1    9 o  224.530   4.2674  3201.51  121.601  3242.09  175.607  3164.13  168.551  225.894   6.1215  223.166   5.9474 2.728775 8.534879 
1 1 1  -31    1   10 o  155.087   5.2980  1529.47  104.305  1557.51  146.471  1500.62  148.569  156.532   7.3684  153.641   7.6145 2.891006 10.59594 
1 1 1  -31    1   11 o   57.117   11.384  189.582   97.649   37.416  134.110  361.285  142.460   40.419   16.506   73.815   15.681 -33.39601 22.76727 
1 1 1  -31    1   12 o  130.144   6.1699  1079.57  101.831  1039.48  146.050  1117.49  142.054  127.779   9.0004  132.508   8.4418 -4.729172 12.33982 
1 1 1  -31    1   13 o  296.444   4.1604  5587.37  156.568  5387.06  220.218  5792.11  222.643  291.067   5.9578  301.822   5.8087 -10.75504 8.320827 
1 1 1  -31    1   14 o  304.643   4.3199  5897.45  166.968  5783.18  230.340  6023.98  242.377  301.544   6.0151  307.742   6.2019 -6.197693 8.639729 
1 1 1  -31    1   15 o  168.065   5.9194  1798.14  126.186  1677.83  175.845  1925.86  181.182  162.264   8.5336  173.867   8.2058 -11.60365 11.83876 
1 1 1  -31    1   16 o  137.490   6.9926  1214.72  120.978  1279.81  163.273  1135.48  180.148  141.659   9.0760  133.322   10.640 8.336105 13.98520 
1 1 1  -31    1   17 o  106.923   8.6380  731.074  116.926  654.297  161.973  814.624  168.965  101.039   12.623  112.807   11.795 -11.76807 17.27601 
1 1 1  -31    1   18 o   49.690   12.973   97.509  117.128  224.391  166.475 -26.8716  164.826   59.532   19.284   39.848   17.360 19.68423 25.94698 
1 1 1  -31    1   19 f  239.815   5.3707  3666.10  163.544  3617.72  229.164  3716.30  233.468  238.206   7.5756  241.425   7.6150 -3.218536 10.74139 
1 1 1  -31    1   20 o  145.732   7.7590  1364.85  142.974  1514.89  202.696  1216.28  201.700  153.796   10.378  137.668   11.537 16.12822 15.51804 
1 1 1  -31    1   21 o   68.699   14.701  308.956  139.183  374.166  209.642  257.558  186.120   74.257   21.189   63.141   20.383 11.11589 29.40163 
1 1 1  -31    1   22 o   73.732   14.191  360.871  141.958  521.033  207.767  220.632  194.416   87.330   19.252   60.134   20.853 27.19641 28.38109 
1 1 1  -31    1   23 o   30.750   10.466 -247.2576  120.065 -239.6807  176.367 -253.8022  163.913   31.816   15.245   29.685   14.344 2.130934 20.93222 
1 1 1  -31    1   25 o   57.219   14.245  202.363  114.812  222.565  127.688  117.074  262.357   57.403   16.585   57.034   23.165 0.3687286 28.49002 
1 1 1  -31    1   26 o  112.530   10.796  811.350  129.991  790.987  147.640  881.572  274.172  110.593   10.512  114.467   18.861 -3.874664 21.59272 
1 1 1  -31    1   27 o   51.130   14.448   84.740  124.099   44.665  142.092  213.593  254.789   40.895   16.878   61.365   23.454 -20.47016 28.89594 
1 1 1  -31    1   28 o   57.169   12.539  221.781  103.160  298.209  149.188  151.755  142.802   64.763   17.655   49.575   17.811 15.18807 25.07874 
1 1 1  -31    1   29 o   44.146   11.090   13.669  101.643  274.585  148.891 -214.0517  139.097   61.455   17.953   26.838   13.026 34.61697 22.18087 
1 1 1  -31    1   31 o   41.065   12.295   59.680  110.423   59.086  148.972   60.405  164.503   40.381   17.017   41.748   17.751 -1.367619 24.59004 
1 1 1  -31    1   32 o   68.153   17.706  375.574  154.635   0.0000   0.0000  375.574  154.635  ?   ?    68.153   17.706      ?      ? 
1 1 1  -31    3    1 f  945.034   7.5357 56706.78  903.371 58549.02  1315.62 55063.29  1242.62  959.516   10.797  930.552   10.515 28.96393 15.07132 
1 1 1  -31    3    2 o  602.069   5.1183 23032.17  391.312 23048.91  550.703 23015.10  556.135  602.292   7.2000  601.846   7.2764 0.4461670 10.23651 
1 1 1  -31    3    3 o  308.642   3.8255  6036.04  149.644  5829.25  204.051  6276.68  220.119  302.939   5.3040  314.346   5.5141 -11.40665 7.650996 
1 1 1  -31    3    4 o  492.895   4.5100 15431.54  282.141 15358.15  392.040 15510.39  406.359  491.684   6.2787  494.107   6.4761 -2.422974 9.020040 
1 1 1  -31    3    5 o  131.232   5.7072  1099.88   94.587  1162.85  129.612  1028.14  138.346  135.277   7.5447  127.187   8.5654 8.090851 11.41440 
1 1 1  -31    3    6 o  209.079   4.3035  2781.18  113.453  2812.43  152.132  2742.02  170.292  210.411   5.6934  207.747   6.4548 2.664063 8.606948 
1 1 1  -31    3    7 o  544.573   4.8456 18795.04  334.324 18170.41  454.711 19530.04  493.248  534.759   6.6958  554.387   7.0061 -19.62811 9.691143 
1 1 1  -31    3    8 o  135.517   5.7662  1162.40   99.018  1079.10  135.022  1259.33  145.646  130.287   8.1607  140.747   8.1486 -10.46005 11.53239 
1 1 1  -31    3    9 o  179.747   4.7608  2053.02  108.654  2030.25  151.976  2076.83  155.401  178.728   6.6958  180.765   6.7696 -2.036987 9.521647 
1 1 1  -31    3   10 o   92.888   8.0030  550.256   94.294  564.622  131.352  534.982  135.444   94.149   10.986   91.626   11.640 2.522385 16.00594 
1 1 1  -31    3   11 o  123.297   6.2743  965.546   98.003  1065.48  142.014  874.678  135.416  129.383   8.6432  117.212   9.0975 12.17121 12.54868 
1 1 1  -31    3   12 o  262.474   4.2904  4383.53  142.796  4436.69  197.325  4325.08  206.905  264.157   5.8822  260.791   6.2474 3.366486 8.580845 
1 1 1  -31    3   13 o  181.863   5.2003  2108.35  119.896  2234.67  168.736  1979.53  170.392  187.389   7.0907  176.338   7.6090 11.05128 10.40068 
1 1 1  -31    3   14 o  183.380   5.2575  2147.94  122.024  2266.26  169.031  2019.16  176.336  188.695   7.0539  178.064   7.7981 10.63116 10.51509 
1 1 1  -31    3   15 o  114.279   7.7304  833.593  111.788  824.991  151.467  843.883  165.672  113.660   10.494  114.898   11.354 -1.238121 15.46082 
1 1 1  -31    3   16 o   47.733   13.214   89.299  116.541   74.773  164.806  103.827  164.821   46.615   18.557   48.851   18.817 -2.235691 26.42769 
1 1 1  -31    3   17 o   31.475   10.488 -172.5358  109.414 -230.0034  161.419 -123.6903  148.818   30.294   14.534   32.656   15.125 -2.362190 20.97676 
1 1 1  -31    3   18 o   89.014   11.130  521.298  122.571  580.315  173.586  462.613  173.098   94.930   14.399   83.097   16.977 11.83396 22.26085 
1 1 1  -31    3   19 o   71.240   13.276  327.962  126.012  489.044  189.670  200.680  168.600   85.178   18.093   57.301   19.433 27.87651 26.55201 
1 1 1  -31    3   20 o   64.208   15.224  259.909  145.202  232.083  230.544  278.204  186.937   63.277   22.642   65.140   20.358 -1.862782 30.44823 
1 1 1  -31    3   21 o   42.828   12.923  -9.8252  128.540 -126.3320  197.908   75.183  169.050   38.900   17.807   46.755   18.733 -7.855274 25.84616 
1 1 1  -31    3   22 o   89.367   10.962  617.803  101.260  716.309  119.318  364.230  191.438  105.760   8.8840   72.973   20.043 32.78703 21.92408 
1 1 1  -31    3   23 o  183.719   9.0050  2163.72  210.095   0.0000   0.0000  2163.72  210.095  ?   ?   183.719   9.0050      ?      ? 
1 1 1  -31    3   24 o   31.252   10.660 -214.5853  116.304 -124.1082  132.740 -513.5571  241.295   29.991   14.023   32.513   16.058 -2.522261 21.31908 
1 1 1  -31    3   25 o   49.004   13.666   94.644  113.206   77.909  132.048  141.057  219.902   42.791   16.742   55.217   21.604 -12.42610 27.33162 
1 1 1  -31    3   26 o  117.272   9.8928  845.672  134.529  768.745  157.617  1052.08  258.180  108.759   11.412  125.785   16.163 -17.02660 19.78554 
1 1 1  -31    3   27 o   66.565   13.591  349.284  132.371  450.490  152.560   41.017  266.258   80.941   15.405   52.190   22.396 28.75093 27.18289 
1 1 1  -31    3   28 o   40.937   13.179 -141.1862  128.933 -218.6176  148.313   98.387  260.879   28.131   13.605   53.744   22.576 -25.61280 26.35882 
1 1 1  -31    3   29 o   47.175   13.310  111.019  122.058  164.278  149.867   6.0951  210.354   50.207   18.218   44.142   19.411 6.064838 26.62050 
1 1 1  -31    3   30 o   29.615   14.979 -721.4678  124.827 -809.0735  275.810 -698.9011  139.984   29.615   14.979  ?   ?       ?      ? 
1 1 1  -31    3   31 o   51.778   18.438  202.333  152.707   0.0000   0.0000  202.333  152.707  ?   ?    51.778   18.438      ?      ? 
1 1 1  -31    3   32 o   36.487   16.504 -10.5584  163.712   0.0000   0.0000 -10.5584  163.712  ?   ?    36.487   16.504      ?      ? 
1 1 1  -31    5    1 o  226.084   3.8811  3241.89  111.017  3183.94  150.066  3311.95  164.998  223.861   5.2787  228.306   5.6909 -4.444626 7.762174 
1 1 1  -31    5    2 o  441.350   4.1953 12379.78  235.066 12730.07  332.422 12029.43  332.447  447.600   5.8482  435.099   6.0167 12.50067 8.390564 
1 1 1  -31    5    3 o   59.744   10.711  237.463   81.040  247.963  107.807  223.820  122.884   61.154   14.161   58.334   16.073 2.819458 21.42145 
1 1 1  -31    5    4 o  310.721   3.8078  6130.33  149.790  6087.92  203.645  6180.32  221.099  309.558   5.1803  311.884   5.5823 -2.326660 7.615640 
1 1 1  -31    5    5 o   71.843   9.5833  347.400   83.887  225.702  120.480  461.918  116.872   58.500   15.832   85.185   10.804 -26.68483 19.16657 
1 1 1  -31    5    6 o  342.067   5.3962  7434.75  234.410  7434.75  234.410   0.0000   0.0000  342.067   5.3962  ?   ?       ?      ? 
1 1 1  -31    5    7 o  173.729   4.7919  1916.59  105.400  1717.98  146.366  2130.52  151.904  164.383   7.0114  183.074   6.5338 -18.69116 9.583838 
1 1 1  -31    5    8 o   80.807   9.4967  441.469   90.760  267.763  128.673  613.461  128.038   63.474   15.975   98.140   10.273 -34.66573 18.99338 
1 1 1  -31    5    9 o  261.010   4.1464  4340.86  137.068  4668.42  192.768  4005.88  194.937  271.007   5.6011  251.015   6.1153 19.99190 8.292744 
1 1 1  -31    5   10 o   33.731   10.619 -74.8686   94.315   10.174  138.239 -148.9267  129.003   38.870   16.387   28.592   13.510 10.27883 21.23760 
1 1 1  -31    5   11 o  113.646   6.8474  825.059   98.611  856.030  136.769  791.528  142.309  115.890   9.2931  111.402   10.059 4.487869 13.69483 
1 1 1  -31    5   12 o  277.788   4.2663  4919.94  150.074  5108.21  207.160  4712.01  217.706  283.415   5.7558  272.160   6.2989 11.25473 8.532640 
1 1 1  -31    5   13 o   86.813   9.2743  483.542  102.050  503.672  142.087  462.095  146.663   88.711   12.613   84.916   13.600 3.794937 18.54856 
1 1 1  -31    5   14 o  139.382   6.1630  1238.77  109.049  1231.34  156.062  1245.85  152.438  138.965   8.8433  139.798   8.5865 -0.8332520 12.32603 
1 1 1  -31    5   15 o  117.365   7.1920  879.379  107.003  809.647  149.311  953.005  153.423  112.565   10.445  122.165   9.8894 -9.599350 14.38393 
1 1 1  -31    5   16 o  118.444   7.1912  896.268  108.107  938.706  154.446  855.501  151.374  121.202   10.034  115.686   10.304 5.516113 14.38250 
1 1 1  -31    5   17 f   38.381   11.838 -26.2509  108.431 -38.7553  160.861 -15.8380  146.793   38.632   16.981   38.131   16.498 0.5008507 23.67557 
1 1 1  -31    5   18 o  145.153   6.7194  1323.62  122.511  1506.97  191.285  1196.10  159.522  153.495   9.8132  136.811   9.1816 16.68317 13.43878 
1 1 1  -31    5   19 f   67.680   12.002  315.678   98.311  333.705  118.227  275.278  176.990   70.788   13.646   64.572   19.748 6.215355 24.00439 
1 1 1  -31    5   20 o  124.893   7.3479  995.542  107.448  987.375  128.829  1014.21  194.752  124.302   8.1612  125.484   12.221 -1.181854 14.69572 
1 1 1  -31    5   21 o   47.407   12.080  118.842  101.538  199.273  122.287 -59.7056  182.200   54.834   16.337   39.981   17.798 14.85275 24.15958 
1 1 1  -31    5   22 o   48.213   12.884  102.777  102.155   72.545  123.589  167.977  181.499   41.597   16.218   54.829   20.025 -13.23262 25.76832 
1 1 1  -31    5   23 o   32.489   11.025 -199.0291  117.373 -160.7889  137.634 -300.9925  224.744   29.169   13.833   35.809   17.172 -6.639900 22.05098 
1 1 1  -31    5   24 o  102.679   9.1095  687.599  113.258  692.829  140.859  678.036  190.489  103.604   10.706  101.754   14.742 1.850853 18.21902 
1 1 1  -31    5   25 o  107.564   9.8234  766.331  126.151  782.326  155.233  735.225  216.478  109.847   11.128  105.281   16.191 4.565651 19.64671 
1 1 1  -31    5   26 o   74.537   11.279  280.155  122.799   4.0218  151.878  801.480  208.684   39.253   16.882  109.821   14.963 -70.56722 22.55886 
1 1 1  -31    5   27 o   90.494   12.382  561.343  129.065  545.221  154.802  598.101  233.749   90.504   13.469   90.485   20.780 0.1964569E-01 24.76342 
1 1 1  -31    5   28 o   29.824   10.390 -334.3457  131.223 -320.8815  163.902 -358.3857  219.008   27.093   13.353   32.556   15.920 -5.462883 20.77905 
1 1 1  -31    5   29 o  428.581   7.1253 12227.10  379.531 11975.76  597.068 12397.52  491.638  422.868   11.118  434.294   8.9142 -11.42618 14.25069 
1 1 1  -31    5   30 f   43.123   14.415 -194.0870  191.092   70.500  332.098 -325.0515  233.646   52.494   23.646   33.753   16.493 18.74059 28.82972 
1 1 1  -31    5   31 o   38.610   16.381   55.782  139.563   0.0000   0.0000   55.782  139.563  ?   ?    38.610   16.381      ?      ? 
1 1 1  -31    7    1 o  379.062   3.9732  9143.21  190.612  9235.34  259.801  9035.79  280.523  381.153   5.3674  376.971   5.8598 4.182434 7.946459 
1 1 1  -31    7    2 o  297.626   5.0203  5630.17  189.749  5630.17  189.749   0.0000   0.0000  297.626   5.0203  ?   ?       ?      ? 
1 1 1  -31    7    3 o  153.479   4.6146  1493.23   89.264  1459.52  118.547  1537.39  135.651  151.499   6.1617  155.460   6.8711 -3.961075 9.229259 
1 1 1  -31    7    4 f  135.544   5.3687  1178.44   90.679  1221.14  118.618  1118.39  140.662  138.554   6.7414  132.533   8.3575 6.021027 10.73749 
1 1 1  -31    7    5 o  127.689   5.6397  1026.91   90.777  952.335  119.857  1127.24  139.022  122.320   7.7159  133.058   8.2274 -10.73778 11.27946 
1 1 1  -31    7    6 o  225.466   4.1890  3217.06  119.576  3042.08  161.576  3428.95  177.799  218.726   5.8170  232.206   6.0295 -13.47966 8.378051 
1 1 1  -31    7    7 o  147.376   5.5900  1384.22  104.515  1443.76  147.017  1323.40  148.609  150.594   7.6874  144.159   8.1176 6.435349 11.17996 
1 1 1  -31    7    8 o  198.827   4.5968  2508.46  115.759  2430.85  157.132  2600.58  171.185  195.482   6.3296  202.171   6.6676 -6.689011 9.193521 
1 1 1  -31    7    9 o  400.021   4.3635 10159.17  220.293 10007.24  294.558 10352.02  331.847  396.671   5.8474  403.372   6.4782 -6.700897 8.726937 
1 1 1  -31    7   10 o  260.461   4.3172  4297.39  141.892  4163.26  189.010  4470.60  214.783  255.845   5.8174  265.076   6.3805 -9.230240 8.634377 
1 1 1  -31    7   11 o  248.497   4.4080  3940.36  138.659  4123.46  191.595  3739.00  200.924  254.600   5.9258  242.394   6.5273 12.20663 8.815924 
1 1 1  -31    7   12 o   73.201   11.182  362.186  100.142  390.481  132.585  324.606  152.800   76.825   14.110   69.577   17.352 7.247765 22.36471 
1 1 1  -31    7   13 o  191.398   4.9323  2334.92  119.325  2356.04  161.544  2309.55  177.016  192.379   6.6123  190.416   7.3203 1.962662 9.864593 
1 1 1  -31    7   14 o   43.581   12.374   59.484  104.711   74.692  144.312   42.574  152.166   44.370   17.459   42.793   17.541 1.576874 24.74845 
1 1 1  -31    7   15 o  254.396   4.7917  4115.74  154.801  4115.74  154.801   0.0000   0.0000  254.396   4.7917  ?   ?       ?      ? 
1 1 1  -31    7   16 o   93.186   8.6951  598.522   91.940  672.559  114.758  465.831  153.633  102.623   8.8056   83.749   14.996 18.87416 17.39016 
1 1 1  -31    7   17 o  122.003   6.8288  982.533   98.774  1045.60  122.103  863.119  168.011  128.030   7.5099  115.976   11.408 12.05429 13.65764 
1 1 1  -31    7   18 f  188.093   4.8755  2194.94  111.997  2047.15  138.388  2475.50  190.668  179.255   6.0792  196.931   7.6241 -17.67523 9.751064 
1 1 1  -31    7   19 o  138.126   6.1010  1175.20  102.141  1078.89  124.731  1371.27  177.964  129.975   7.5568  146.277   9.5803 -16.30161 12.20193 
1 1 1  -31    7   20 o   28.261   9.6662 -216.6674   96.621 -246.0684  119.166 -160.2485  165.076   23.332   11.478   33.190   15.556 -9.857327 19.33236 
1 1 1  -31    7   21 o  290.852   5.8251  4731.77  200.751  3203.27  240.925  8203.43  363.092  223.639   8.4831  358.065   7.9851 -134.4255 11.65010 
1 1 1  -31    7   22 o   42.074   12.722   9.8057  114.882   7.4340  140.928   14.504  198.344   38.537   16.409   45.611   19.445 -7.073559 25.44332 
1 1 1  -31    7   23 o  134.117   7.3651  1180.60  121.839  1259.76  158.085  1064.79  191.218  140.038   8.8893  128.195   11.746 11.84306 14.73028 
1 1 1  -31    7   24 o  114.259   9.7926  910.547  130.254  1029.39  162.563  697.414  217.698  126.196   10.144  102.322   16.754 23.87390 19.58517 
1 1 1  -31    7   25 o  104.468   9.8259  667.666  125.059  535.365  152.842  935.664  217.534   90.135   13.353  118.801   14.419 -28.66589 19.65188 
1 1 1  -31    7   26 o   50.840   13.977   96.676  124.537   25.038  150.574  251.792  221.567   40.109   17.016   61.571   22.179 -21.46179 27.95457 
1 1 1  -31    7   27 o   45.970   15.251 -138.7868  176.864 -20.9118  389.238 -169.4561  198.544   56.120   25.410   35.819   16.874 20.30152 30.50230 
1 1 1  -31    7   28 f  365.735   7.1560  7705.13  305.116  4667.87  368.087 14375.11  545.471  264.248   10.969  467.222   9.1933 -202.9736 14.31194 
1 1 1  -31    7   29 o   31.997   11.148 -381.8942  159.621 -448.2068  218.611 -306.1695  233.610   29.734   14.789   34.260   16.686 -4.525990 22.29631 
1 1 1  -31    7   30 o   60.322   15.621  307.567  157.759  411.534  236.202  223.837  211.970   66.974   22.998   53.669   21.146 13.30517 31.24210 
1 1 1  -31    9    1 o  258.803   3.8769  4270.00  126.219  4338.42  168.133  4181.66  191.057  261.214   5.0685  256.392   5.8679 4.821869 7.753823 
1 1 1  -31    9    2 o  284.380   3.9306  5142.06  139.901  5135.47  182.923  5151.33  217.150  284.200   5.0684  284.560   6.0091 -0.3608704 7.861112 
1 1 1  -31    9    3 o  368.836   6.3235  8656.13  296.190   0.0000   0.0000  8656.13  296.190  ?   ?   368.836   6.3235      ?      ? 
1 1 1  -31    9    4 o  144.442   5.1799  1346.37   93.428  1451.59  124.507  1210.77  141.341  151.032   6.4915  137.853   8.0738 13.17915 10.35982 
1 1 1  -31    9    5 o  336.623   5.3264  7205.92  227.696  7205.92  227.696   0.0000   0.0000  336.623   5.3264  ?   ?       ?      ? 
1 1 1  -31    9    6 o  199.379   4.6487  2553.92  116.062  2699.14  154.572  2366.23  175.728  205.982   5.9091  192.775   7.1781 13.20700 9.297488 
1 1 1  -31    9    7 o  279.379   4.1816  4990.98  147.072  5185.44  197.779  4750.44  219.969  285.537   5.4543  273.220   6.3397 12.31772 8.363119 
1 1 1  -31    9    8 o  237.380   4.3720  3571.14  130.882  3468.02  174.015  3705.45  198.602  233.476   5.8690  241.284   6.4815 -7.808273 8.743903 
1 1 1  -31    9    9 o  381.942   4.4525  9417.64  193.753  9592.79  229.342  8980.99  362.122  388.437   4.6493  375.446   7.5950 12.99103 8.905066 
1 1 1  -31    9   10 o  105.062   7.6744  782.548   89.046  898.040  107.931  536.378  157.575  118.737   7.1579   91.388   13.578 27.34841 15.34877 
1 1 1  -31    9   11 o  124.040   6.4409  966.143   94.206  940.005  113.078  1025.44  170.320  121.460   7.3311  126.620   10.592 -5.159775 12.88176 
1 1 1  -31    9   12 o  145.229   5.7165  1390.67   95.692  1461.08  115.199  1233.94  171.867  151.506   5.9875  138.952   9.7398 12.55409 11.43301 
1 1 1  -31    9   13 o  152.853   5.4246  1544.74   98.180  1660.21  121.606  1328.56  166.390  161.492   5.9296  144.215   9.0853 17.27687 10.84913 
1 1 1  -31    9   14 o   85.082   8.4853  448.665   87.749  412.699  107.560  520.238  151.733   80.269   10.552   89.894   13.291 -9.624687 16.97063 
1 1 1  -31    9   15 f  151.287   5.3771  1414.62   98.243  1321.12  119.760  1606.99  171.786  143.980   6.5498  158.594   8.5295 -14.61369 10.75422 
1 1 1  -31    9   16 o  110.452   7.4289  810.720   97.232  870.742  120.544  698.949  164.497  116.742   8.1310  104.163   12.436 12.57828 14.85785 
1 1 1  -31    9   17 o  227.082   4.6022  3239.78  125.589  3142.37  153.347  3438.21  218.867  222.124   5.4363  232.040   7.4275 -9.915726 9.204385 
1 1 1  -31    9   18 o   39.512   11.900  -0.0630  100.580 -25.4374  124.694   47.193  170.167   34.225   15.000   44.799   18.478 -10.57389 23.79947 
1 1 1  -31    9   19 o  244.377   6.2216  3458.77  182.392  2314.18  223.910  5716.06  314.442  189.936   9.2830  298.818   8.2862 -108.8814 12.44329 
1 1 1  -31    9   20 o   39.995   12.157 -90.9861  113.393 -204.3419  140.221  123.230  192.760   27.907   13.430   52.083   20.269 -24.17586 24.31399 
1 1 1  -31    9   21 o   72.812   12.403  395.597  113.117  469.947  135.530  224.883  205.365   85.081   12.544   60.544   21.401 24.53612 24.80619 
1 1 1  -31    9   22 o   98.591   10.943  698.480  121.768  808.634  152.893  507.431  201.355  111.796   10.769   85.387   19.053 26.40912 21.88576 
1 1 1  -31    9   23 o  105.523   9.3946  689.513  122.199  552.267  152.526  935.496  204.196   91.749   13.091  119.297   13.478 -27.54778 18.78923 
1 1 1  -31    9   24 o   68.727   13.287  304.089  118.237  207.959  146.940  480.654  199.141   55.519   18.125   81.936   19.433 -26.41700 26.57354 
1 1 1  -31    9   25 o   68.671   17.727  316.920  173.308  336.656  400.588  312.376  192.230   71.759   28.807   65.584   20.668 6.175240 35.45381 
1 1 1  -31    9   26 o   53.167   15.134  146.611  161.127   30.695  256.320  222.343  207.181   49.001   21.490   57.332   21.315 -8.331062 30.26767 
1 1 1  -31    9   27 o   86.880   12.486  566.282  173.042  1178.61  245.327 -39.9979  244.113  129.631   14.902   44.128   20.037 85.50290 24.97108 
1 1 1  -31    9   28 o   38.859   12.737 -91.6511  151.608 -177.0087  220.972 -15.7353  208.392   36.432   17.349   41.285   18.652 -4.853367 25.47311 
1 1 1  -31    9   29 o   54.136   15.109  220.624  166.952   32.008  256.242  359.752  220.074   45.242   20.537   63.030   22.167 -17.78737 30.21865 
1 1 1  -31   11    1 o  140.946   4.8846  1243.83   79.374  1214.81   93.719  1317.47  149.287  138.182   5.3407  143.711   8.1800 -5.529221 9.769137 
1 1 1  -31   11    2 o  109.348   6.1839  800.299   75.279  846.041   88.906  684.443  141.493  115.285   6.0727  103.411   10.774 11.87373 12.36788 
1 1 1  -31   11    3 o  211.408   4.2213  2840.03  100.347  2834.55  117.217  2855.06  194.151  211.146   4.3715  211.669   7.2228 -0.5228271 8.442661 
1 1 1  -31   11    4 o   38.596   10.533   65.291   70.604   78.153   85.589   37.898  124.907   38.142   13.778   39.050   15.936 -0.9074440 21.06659 
1 1 1  -31   11    5 o  347.798   4.2689  7693.12  166.149  7685.25  193.602  7715.14  323.678  347.668   4.3850  347.928   7.3257 -0.2594604 8.537754 
1 1 1  -31   11    6 o   94.217   6.8121  535.534   76.511  481.829   91.542  659.992  139.357   86.900   8.2952  101.534   10.808 -14.63364 13.62430 
1 1 1  -31   11    7 o  135.822   6.4069  1177.49  110.459  1130.23  154.122  1227.41  158.389  133.016   9.1240  138.628   8.9969 -5.612183 12.81372 
1 1 1  -31   11    8 o  240.237   4.6073  3661.91  137.401  3609.71  176.007  3743.36  219.856  238.130   5.8202  242.344   7.1438 -4.213593 9.214584 
1 1 1  -31   11    9 o  322.323   4.3380  6493.37  155.587  6365.85  179.928  6871.32  309.774  316.386   4.4782  328.260   7.4310 -11.87448 8.676091 
1 1 1  -31   11   10 o   76.089   9.8655  363.125   87.671  332.517  105.632  430.886  157.169   71.976   11.556   80.201   15.993 -8.224686 19.73105 
1 1 1  -31   11   11 o  102.631   7.7195  660.959   92.900  638.474  110.855  714.003  170.266   99.950   8.7337  105.312   12.731 -5.361954 15.43904 
1 1 1  -31   11   12 o  187.781   4.8717  2203.40  105.287  2144.07  124.072  2356.05  199.015  183.520   5.3237  192.043   8.1604 -8.523254 9.743397 
1 1 1  -31   11   13 o  159.857   5.4377  1589.77  100.143  1534.62  117.899  1732.60  189.754  155.191   5.9823  164.523   9.0821 -9.331741 10.87534 
1 1 1  -31   11   14 o  190.410   4.9574  2227.82  107.216  2128.52  124.801  2507.61  209.485  182.814   5.3757  198.007   8.3310 -15.19382 9.914758 
1 1 1  -31   11   15 o  243.893   5.0994  3629.84  150.451  3284.40  182.954  4351.37  264.413  226.926   6.3487  260.859   7.9818 -33.93376 10.19872 
1 1 1  -31   11   16 f  116.541   9.0431  811.852  117.532  746.182  134.527  1023.62  241.575  107.796   9.8272  125.286   15.183 -17.49000 18.08620 
1 1 1  -31   11   17 o  106.209   10.965  1118.58  137.178  1761.71  171.361 -28.9025  228.894  165.866   8.1354   46.553   20.365 119.3127 21.92943 
1 1 1  -31   11   18 o  160.311   6.2964  1590.42  120.140  1489.26  144.373  1818.21  216.644  152.574   7.4512  168.047   10.152 -15.47318 12.59274 
1 1 1  -31   11   19 o   49.598   13.167  129.477  113.221  173.868  139.922   45.288  192.694   52.492   17.704   46.704   19.496 5.788589 26.33470 
1 1 1  -31   11   20 o  147.865   7.4674  1398.94  134.734  1359.32  167.635  1471.23  226.449  145.298   9.0850  150.432   11.854 -5.134003 14.93473 
1 1 1  -31   11   21 o   90.911   11.749  601.726  124.249  705.827  157.611  430.815  201.949  103.978   11.936   77.844   20.240 26.13462 23.49739 
1 1 1  -31   11   22 o   49.004   14.162   13.291  145.702  236.980  234.570 -127.2291  185.917   61.445   22.712   36.564   16.925 24.88051 28.32489 
1 1 1  -31   11   23 o   67.668   17.194  319.336  179.841  326.114  322.960  316.290  216.516   69.166   26.413   66.171   22.021 2.994125 34.38886 
1 1 1  -31   11   24 o   39.252   13.107 -185.8088  168.132 -323.2018  284.595 -112.1468  208.385   39.634   19.088   38.870   17.966 0.7635727 26.21342 
1 1 1  -31   11   25 o  228.593   7.7515  3629.70  214.558  4154.90  279.975  2882.33  333.981  251.518   8.7654  205.669   12.787 45.84868 15.50309 
1 1 1  -31   11   26 o   52.790   14.010  177.412  142.285 -15.0011  217.048  322.413  188.419   42.313   19.083   63.267   20.518 -20.95394 28.02035 
1 1 1  -31   11   27 o   48.043   14.270  119.174  153.227   1.9761  227.572  216.369  207.243   42.777   19.393   53.309   20.939 -10.53244 28.54021 
1 1 1  -31   11   28 o   41.723   19.432 -33.4008  250.952 -33.4008  250.952   0.0000   0.0000   41.723   19.432  ?   ?       ?      ? 
1 1 1  -31   13    1 o  117.562   5.7981  886.397   79.051  890.877   94.391  875.875  144.656  118.220   6.2873  116.903   9.7439 1.316849 11.59626 
1 1 1  -31   13    2 o   94.005   7.8118  603.218   83.438  658.553  100.860  483.241  148.515  101.538   7.8219   86.471   13.525 15.06730 15.62354 
1 1 1  -31   13    3 o   72.562   10.214  383.479   80.840  424.765   94.666  272.282  155.360   81.459   9.1511   63.664   18.265 17.79575 20.42891 
1 1 1  -31   13    4 o  155.775   5.1664  1535.01   94.049  1513.95  112.414  1584.13  171.698  154.165   5.7419  157.385   8.5906 -3.220871 10.33284 
1 1 1  -31   13    5 o   61.663   10.652  239.783   77.974  209.869   93.546  307.877  141.138   55.906   13.359   67.420   16.596 -11.51483 21.30455 
1 1 1  -31   13    6 o  139.085   5.5643  1216.40   91.438  1183.97  109.957  1289.09  164.635  136.277   6.3536  141.893   9.1365 -5.616592 11.12857 
1 1 1  -31   13    7 o  176.837   4.9544  2020.55  100.495  2055.12  119.451  1936.80  185.909  179.654   5.2357  174.020   8.4125 5.633179 9.908705 
1 1 1  -31   13    8 o   77.965   9.8202  389.021   84.297  375.409   98.133  427.342  164.653   76.482   10.104   79.448   16.842 -2.966202 19.64050 
1 1 1  -31   13    9 o  191.221   4.8142  2282.23  104.090  2223.42  121.318  2446.30  202.642  186.863   5.1124  195.578   8.1589 -8.715317 9.628304 
1 1 1  -31   13   10 o  125.620   6.5673  968.347   96.384  906.821  114.001  1122.57  180.489  119.128   7.5356  132.112   10.758 -12.98402 13.13468 
1 1 1  -31   13   11 o  129.223   6.5347  1005.33  100.161  900.928  119.227  1255.75  184.647  118.688   7.9103  139.758   10.404 -21.07030 13.06937 
1 1 1  -31   13   12 o  357.531   8.0400  8179.89  365.044   0.0000   0.0000  8179.89  365.044  ?   ?   357.531   8.0400      ?      ? 
1 1 1  -31   13   13 o   55.978   11.840  216.911  109.247  341.036  129.353 -91.8883  204.026   71.047   14.816   40.909   18.471 30.13820 23.67915 
1 1 1  -31   13   14 o   74.782   11.569  344.349   98.097  294.946  114.725  478.692  189.186   66.092   14.099   83.473   18.347 -17.38067 23.13876 
1 1 1  -31   13   15 o   54.282   13.103  183.563  103.438  191.153  123.791  166.006  188.285   53.706   16.531   54.858   20.334 -1.152710 26.20607 
1 1 1  -31   13   16 o  165.928   5.9517  1688.49  116.570  1565.87  138.821  1981.70  214.666  156.448   6.9873  175.408   9.6369 -18.95946 11.90340 
1 1 1  -31   13   17 o   94.088   10.707  618.242  116.368  680.506  146.113  510.249  192.428  102.410   11.235   85.767   18.229 16.64292 21.41320 
1 1 1  -31   13   18 o   94.274   11.183  666.144  117.996  817.409  149.050  412.180  193.130  112.262   10.455   76.285   19.773 35.97698 22.36670 
1 1 1  -31   13   19 o   71.618   12.752  363.087  113.933  368.168  145.146  354.931  183.894   72.723   16.138   70.512   19.750 2.211525 25.50464 
1 1 1  -31   13   20 o   56.336   15.786  165.636  164.565  164.305  267.436  166.447  208.770   57.992   23.446   54.680   21.145 3.312252 31.57284 
1 1 1  -31   13   21 o  120.328   11.620  967.788  167.612  1107.16  296.478  902.318  203.202  125.048   18.670  115.608   13.841 9.440086 23.24065 
1 1 1  -31   13   22 o   60.158   15.347  244.869  147.798  180.108  188.236  348.978  238.664   53.147   20.196   67.168   23.115 -14.02107 30.69500 
1 1 1  -31   13   23 o   29.769   10.556 -488.1493  153.588 -475.9982  188.284 -512.3146  265.522   26.295   13.176   33.243   16.494 -6.948265 21.11119 
1 1 1  -31   13   24 o   35.752   12.160 -207.9949  155.917 -279.7447  264.205 -169.6550  193.133   37.455   18.125   34.050   16.216 3.405041 24.32038 
1 1 1  -31   13   25 o   34.359   11.899 -282.8773  163.327 -304.4749  280.531 -271.8025  200.884   37.364   18.217   31.354   15.315 6.009657 23.79887 
1 1 1  -31   13   26 f   79.778   26.185  691.990  306.513  691.990  306.513   0.0000   0.0000   79.778   26.185  ?   ?       ?      ? 
1 1 1  -31   15    1 o  147.048   6.0436  1301.18  102.433  1195.73  119.593  1591.60  198.464  136.799   6.8841  157.296   9.9354 -20.49777 12.08729 
1 1 1  -31   15    2 o   64.938   12.175  308.225   98.640  349.426  115.387  196.383  190.112   72.337   13.040   57.538   20.564 14.79942 24.34999 
1 1 1  -31   15    3 o   49.666   12.671  142.783   94.578  158.798  108.367   91.589  193.745   49.381   15.511   49.952   20.040 -0.5711365 25.34170 
1 1 1  -31   15    4 o   46.794   12.868   80.641   98.021   54.021  113.393  159.346  194.975   38.671   15.393   54.917   20.626 -16.24619 25.73658 
1 1 1  -31   15    5 o   99.569   9.1991  629.476   99.835  616.297  114.348  671.735  204.760   97.972   9.1907  101.165   15.938 -3.192955 18.39817 
1 1 1  -31   15    6 o  152.234   5.4115  1422.69  101.294  1259.46  125.678  1725.29  171.123  140.371   7.0503  164.098   8.2116 -23.72736 10.82296 
1 1 1  -31   15    7 o  197.596   4.6885  2477.20  107.651  2452.63  128.243  2535.80  198.079  196.182   5.1475  199.009   7.8377 -2.826996 9.376904 
1 1 1  -31   15    8 o  101.292   8.2515  660.528   98.504  654.914  118.787  672.886  176.253  100.956   9.2653  101.629   13.657 -0.6727295 16.50304 
1 1 1  -31   15    9 o  193.576   5.1301  2425.64  118.117  2481.00  144.678  2314.97  204.541  197.195   5.7774  189.957   8.4790 7.237686 10.26020 
1 1 1  -31   15   10 o   40.977   11.638   44.465   99.035  122.800  121.722 -108.9413  170.338   46.069   16.456   35.885   16.461 10.18443 23.27569 
1 1 1  -31   15   11 o   39.624   11.387   7.8319  103.357  130.005  127.152 -230.1183  177.451   47.161   16.821   32.086   15.353 15.07462 22.77453 
1 1 1  -31   15   12 o  126.147   7.5435  1011.89  115.900  967.905  143.397  1094.77  196.825  122.573   9.2123  129.722   11.948 -7.149940 15.08698 
1 1 1  -31   15   13 o  142.281   6.9840  1303.65  121.343  1289.66  151.736  1328.47  202.102  141.572   8.4399  142.990   11.130 -1.418304 13.96795 
1 1 1  -31   15   14 o   40.582   12.271   10.863  112.817   59.021  142.552 -69.8578  184.557   42.030   17.074   39.134   17.628 2.896225 24.54106 
1 1 1  -31   15   15 o   50.046   13.309  118.316  111.320   66.598  137.145  218.196  190.587   41.900   16.843   58.191   20.612 -16.29148 26.61795 
1 1 1  -31   15   16 o   52.730   13.553  170.843  115.478  168.367  147.950  174.704  184.728   51.452   18.167   54.007   20.117 -2.554604 27.10618 
1 1 1  -31   15   17 o  147.114   7.9088  1416.42  146.883  1649.54  217.076  1219.54  199.486  158.387   10.792  135.842   11.564 22.54474 15.81760 
1 1 1  -31   15   18 o   33.928   11.389 -236.5992  140.253 -489.0884  221.973 -68.8137  180.949   30.013   14.924   37.842   17.209 -7.828987 22.77855 
1 1 1  -31   15   19 o   99.461   12.290  676.486  148.098  554.857  184.703  895.473  247.837   87.083   17.312  111.839   17.450 -24.75615 24.58030 
1 1 1  -31   15   20 o   31.426   15.412 -654.7647  137.225 -890.3522  181.469 -340.1465  209.710  ?   ?    31.426   15.412      ?      ? 
1 1 1  -31   15   21 o   53.213   14.507  158.703  141.042  348.430  228.722   42.290  179.162   64.467   22.603   41.960   18.190 22.50705 29.01321 
1 1 1  -31   15   22 o   52.406   14.627  203.464  142.849  145.849  247.198  232.351  175.033   50.577   21.639   54.234   19.686 -3.656528 29.25383 
1 1 1  -31   15   23 o   39.882   13.103 -56.8639  162.393 -206.1494  266.583   31.219  204.771   38.060   18.366   41.704   18.694 -3.644028 26.20685 
1 1 1  -31   17    1 o  162.824   5.8072  1631.43  111.459  1513.26  132.599  1915.96  205.756  153.602   6.7978  172.047   9.4174 -18.44418 11.61448 
1 1 1  -31   17    2 o  103.729   8.6351  736.946  101.725  784.654  122.075  628.547  184.012  110.265   8.7179   97.193   14.908 13.07173 17.27028 
1 1 1  -31   17    3 o  120.506   8.0658  930.132  122.273  808.490  160.535  1098.20  188.701  111.312   11.357  129.700   11.457 -18.38873 16.13158 
1 1 1  -31   17    4 o  119.605   7.3043  907.505  102.360  874.265  122.068  986.246  187.875  116.489   8.2516  122.722   12.055 -6.232849 14.60870 
1 1 1  -31   17    5 o  182.039   5.5493  2189.35  118.370  2291.26  144.173  1978.58  207.342  189.216   6.0000  174.863   9.3371 14.35344 11.09870 
1 1 1  -31   17    6 o  148.458   6.4629  1460.63  113.509  1530.18  139.462  1324.14  195.367  154.362   7.1144  142.554   10.792 11.80812 12.92589 
1 1 1  -31   17    7 o   54.776   13.557  181.515  109.688  157.701  132.123  234.331  196.761   49.799   17.195   59.752   20.963 -9.953663 27.11323 
1 1 1  -31   17    8 o   43.037   12.538   61.443  105.582   80.284  126.525   18.238  191.601   41.891   16.388   44.184   18.981 -2.292984 25.07674 
1 1 1  -31   17    9 o  176.301   5.9099  1975.37  123.352  1917.40  148.591  2103.88  221.242  172.749   6.7733  179.854   9.6866 -7.104675 11.81979 
1 1 1  -31   17   10 o  149.543   6.7601  1532.97  116.595  1669.83  142.386  1254.42  203.130  161.085   6.9604  138.001   11.591 23.08430 13.52011 
1 1 1  -31   17   11 o  102.442   9.6694  755.045  111.065  850.731  138.186  580.434  186.670  114.197   9.5286   90.687   16.828 23.50976 19.33876 
1 1 1  -31   17   12 o   90.912   10.200  565.923  111.459  561.973  141.809  572.307  180.281   91.861   12.156   89.963   16.384 1.897606 20.40084 
1 1 1  -31   17   13 o   35.290   11.551 -225.6243  110.424 -345.9902  129.903   87.895  209.652   21.929   10.982   48.650   20.324 -26.72090 23.10167 
1 1 1  -31   17   14 o   40.170   18.877 -556.6602  128.540 -702.5552  150.814 -169.2517  245.756  ?   ?    40.170   18.877      ?      ? 
1 1 1  -31   17   15 f  201.162   9.3321  3127.61  203.549  4122.56  262.828  1636.52  321.754  251.010   8.2452  151.315   16.744 99.69551 18.66423 
1 1 1  -31   17   16 o   38.157   12.493 -102.8243  143.080 -162.3674  193.311 -30.6843  212.779   34.665   16.426   41.650   18.829 -6.984993 24.98693 
1 1 1  -31   17   17 o   43.567   13.095   21.450  141.362 -206.1508  218.142  186.225  185.608   35.399   16.961   51.734   19.957 -16.33477 26.19019 
1 1 1  -31   17   18 o   71.957   15.212  450.670  149.452  418.347  241.227  470.807  190.395   68.138   23.244   75.776   19.628 -7.638878 30.42304 
1 1 1  -31   17   19 o   41.886   13.441 -39.5172  149.615  158.641  250.322 -149.6481  186.615   50.465   21.688   33.306   15.883 17.15967 26.88199 
1 1 1  -31   19    1 o  238.340   6.4977  3677.04  196.668  3677.04  196.668   0.0000   0.0000  238.340   6.4977  ?   ?       ?      ? 
1 1 1  -31   19    2 o  330.303   5.7003  7029.50  239.103  7029.50  239.103   0.0000   0.0000  330.303   5.7003  ?   ?       ?      ? 
1 1 1  -31   19    3 o  230.084   8.8259  4584.39  175.857  5301.29  200.044  2145.92  368.937  287.002   5.4886  173.167   16.777 113.8352 17.65187 
1 1 1  -31   19    4 o  182.867   14.102  4059.24  178.744  5373.54  209.360  525.251  343.305  288.782   5.7088   76.953   27.620 211.8288 28.20350 
1 1 1  -31   19    5 o  247.539   7.6029  4890.76  186.520  5789.42  220.717  2645.84  348.851  299.644   5.8003  195.434   14.056 104.2096 15.20576 
1 1 1  -31   19    6 o  109.774   13.729  1288.03  148.757  1543.85  167.779  347.809  321.646  153.266   8.6201   66.281   26.070 86.98502 27.45774 
1 1 1  -31   19    7 o   49.776   14.388   61.774  124.587 -11.8593  141.007  323.848  266.020   35.580   15.757   63.972   24.080 -28.39210 28.77698 
1 1 1  -31   19    8 o   33.423   11.454 -253.2290  105.059 -324.6664  117.310   36.201  236.126   20.430   10.260   46.416   20.481 -25.98600 22.90771 
1 1 1  -31   19    9 o   76.804   12.317  448.966  109.271  458.272  128.333  424.433  208.372   81.671   12.374   71.937   21.302 9.733780 24.63458 
1 1 1  -31   19   10 o   49.044   12.087   56.958   97.082 -63.1766  113.267  389.553  188.462   28.825   13.296   69.262   20.188 -40.43660 24.17336 
1 1 1  -31   19   11 o   29.290   10.113 -242.9392  113.441 -300.4513  142.085 -141.8206  188.401   24.224   12.027   34.356   16.262 -10.13267 20.22602 
1 1 1  -31   19   12 o   62.268   15.054  324.987  143.431  392.623  213.211  269.075  193.853   67.146   21.829   57.391   20.735 9.754501 30.10734 
1 1 1  -31   19   13 o   43.160   13.468   47.831  143.055   85.903  218.114   19.090  189.508   45.750   19.950   40.571   18.099 5.179298 26.93662 
1 1 1  -31   19   14 o   63.758   15.584  367.207  159.806  502.513  230.223  241.393  222.000   73.442   22.533   54.073   21.534 19.36922 31.16805 
1 1 1  -30    0    1 o  118.150   6.0464  900.552  126.755  900.552  126.755  900.552  126.755  118.150   8.5509  118.150   8.5509 -0.000000 0.000000 
1 1 1  -30    0    2 o  193.168   4.1805  2376.37  144.723  2376.37  144.723  2376.37  144.723  193.168   5.9122  193.168   5.9122 -0.000000 0.000000 
1 1 1  -30    0    3 o  760.598   6.2106 36762.04  848.112 36762.04  848.112 36762.04  848.112  760.598   8.7832  760.598   8.7832 -0.000000 0.000000 
1 1 1  -30    0    4 o  286.406   3.8093  5214.77  195.780  5214.77  195.780  5214.77  195.780  286.406   5.3871  286.406   5.3871 -0.000000 0.000000 
1 1 1  -30    0    5 o  335.913   3.9091  7171.68  235.686  7171.68  235.686  7171.68  235.686  335.913   5.5283  335.913   5.5283 -0.000000 0.000000 
1 1 1  -30    0    6 o  1043.72   8.2853 69245.97  1552.62 69245.97  1552.62 69245.97  1552.62  1043.72   11.717  1043.72   11.717 -0.000000 0.000000 
1 1 1  -30    0    7 o  263.334   4.1130  4410.37  194.302  4410.37  194.302  4410.37  194.302  263.334   5.8166  263.334   5.8166 -0.000000 0.000000 
1 1 1  -30    0    9 o   30.192   13.131   44.715  138.171   44.715  138.171   44.715  138.171   30.192   18.570   30.192   18.570 -0.000000 0.000000 
1 1 1  -30    0   10 o  125.183   6.9014  1013.71  152.988  1013.71  152.988  1013.71  152.988  125.183   9.7600  125.183   9.7600 -0.000000 0.000000 
1 1 1  -30    0   11 o   79.465   11.314  447.112  143.109  447.112  143.109  447.112  143.109   79.465   16.000   79.465   16.000 -0.000000 0.000000 
1 1 1  -30    0   12 o  221.706   4.4691  3130.13  177.618  3130.13  177.618  3130.13  177.618  221.706   6.3202  221.706   6.3202 -0.000000 0.000000 
1 1 1  -30    0   13 o  205.153   4.6940  2682.61  172.538  2682.61  172.538  2682.61  172.538  205.153   6.6384  205.153   6.6384 -0.000000 0.000000 
1 1 1  -30    0   14 o  233.468   4.5289  3471.60  189.571  3471.60  189.571  3471.60  189.571  233.468   6.4048  233.468   6.4048 -0.000000 0.000000 
1 1 1  -30    0   15 o   25.409   12.028 -55.5973  152.460 -55.5973  152.460 -55.5973  152.460   25.409   17.010   25.409   17.010 -0.000000 0.000000 
1 1 1  -30    0   16 o   93.007   10.365  591.162  160.274  591.162  160.274  591.162  160.274   93.007   14.658   93.007   14.658 -0.000000 0.000000 
1 1 1  -30    0   17 o  272.153   4.6252  4716.61  225.771  4716.61  225.771  4716.61  225.771  272.153   6.5410  272.153   6.5410 -0.000000 0.000000 
1 1 1  -30    0   18 o  272.959   4.6619  4745.36  228.234  4745.36  228.234  4745.36  228.234  272.959   6.5929  272.959   6.5929 -0.000000 0.000000 
1 1 1  -30    0   19 o   44.617   16.645  186.426  177.844  186.426  177.844  186.426  177.844   44.617   23.540   44.617   23.540 -0.000000 0.000000 
1 1 1  -30    0   20 o   56.674   17.506  297.330  185.368  297.330  185.368  297.330  185.368   56.674   24.758   56.674   24.758 -0.000000 0.000000 
1 1 1  -30    0   21 o  176.101   7.3192  1998.22  229.651  1998.22  229.651  1998.22  229.651  176.101   10.351  176.101   10.351 -0.000000 0.000000 
1 1 1  -30    0   22 o   42.242   17.054  152.578  203.315  152.578  203.315  152.578  203.315   42.242   24.118   42.242   24.118 -0.000000 0.000000 
1 1 1  -30    0   23 o   32.911   15.230 -22.0071  222.954 -22.0071  222.954 -22.0071  222.954   32.911   21.538   32.911   21.538 -0.000000 0.000000 
1 1 1  -30    0   25 f  111.474   12.875  864.391  237.111  864.391  237.111  864.391  237.111  111.474   18.209  111.474   18.209 -0.000000 0.000000 
1 1 1  -30    0   26 o   58.061   14.750  289.298  140.718  289.298  140.718  289.298  140.718   58.061   20.859   58.061   20.859 -0.000000 0.000000 
1 1 1  -30    0   27 o   65.545   15.772  363.531  166.463  363.531  166.463  363.531  166.463   65.545   22.305   65.545   22.305 -0.000000 0.000000 
1 1 1  -30    0   28 o   27.460   12.573   2.4951  146.361   2.4951  146.361   2.4951  146.361   27.460   17.781   27.460   17.781 -0.000000 0.000000 
1 1 1  -30    0   29 o   28.678   12.883   27.634  144.687   27.634  144.687   27.634  144.687   28.678   18.219   28.678   18.219 -0.000000 0.000000 
1 1 1  -30    0   30 o  ?   ?  -1281.7419  151.754 -1281.7419  151.754 -1281.7419  151.754  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -30    0   31 o  103.562   8.7101  734.968  155.956  734.968  155.956  734.968  155.956  103.562   12.318  103.562   12.318 -0.000000 0.000000 
1 1 1  -30    0   32 o   61.084   15.610  347.549  157.061  347.549  157.061  347.549  157.061   61.084   22.077   61.084   22.077 -0.000000 0.000000 
1 1 1  -30    2    1 f  636.002   5.3283 25697.71  430.325 25559.14  604.516 25840.07  612.709  634.265   7.5051  637.738   7.5654 -3.473083 10.65660 
1 1 1  -30    2    2 o  399.920   3.9783 10155.79  202.015 10391.62  288.312  9928.33  283.142  404.480   5.6129  395.360   5.6394 9.119873 7.956632 
1 1 1  -30    2    3 o  858.578   6.9107 46832.82  753.280 47679.41  1081.04 46033.81  1050.22  866.112   9.8286  851.044   9.7174 15.06805 13.82135 
1 1 1  -30    2    4 o  376.124   3.9786  8990.79  189.921  9186.38  265.963  8787.28  271.295  380.303   5.5070  371.945   5.7436 8.358032 7.957129 
1 1 1  -30    2    5 o  327.501   5.3293  6812.46  221.648  6812.46  221.648   0.0000   0.0000  327.501   5.3293  ?   ?       ?      ? 
1 1 1  -30    2    6 o  436.816   4.2413 12117.32  235.197 12012.55  327.791 12228.50  337.665  434.872   5.9355  438.760   6.0601 -3.887695 8.482652 
1 1 1  -30    2    7 f  524.004   4.7253 17427.11  314.290 18013.05  452.954 16883.08  436.452  532.490   6.6983  515.519   6.6668 16.97083 9.450559 
1 1 1  -30    2    8 o  162.584   7.2985  1679.49  150.691  1679.49  150.691   0.0000   0.0000  162.584   7.2985  ?   ?       ?      ? 
1 1 1  -30    2    9 o  198.878   4.6017  2511.81  116.191  2557.14  166.655  2468.95  162.078  200.622   6.5413  197.134   6.4742 3.488739 9.203431 
1 1 1  -30    2   10 o  187.453   4.9221  2239.75  116.810  2383.19  162.779  2087.47  167.720  193.666   6.6186  181.239   7.2871 12.42664 9.844181 
1 1 1  -30    2   11 o  199.619   4.6010  2532.31  116.581  2636.44  165.740  2430.33  164.014  203.683   6.4076  195.555   6.6044 8.128448 9.201921 
1 1 1  -30    2   12 o  112.217   7.4093  802.305  105.233  806.592  143.282  797.285  155.059  112.557   10.024  111.878   10.914 0.6789703 14.81861 
1 1 1  -30    2   13 o   98.429   8.6906  626.640  107.031  517.151  154.179  728.484  148.698   89.966   13.495  106.891   10.954 -16.92495 17.38120 
1 1 1  -30    2   14 o  315.998   4.2184  6349.56  169.277  6299.20  238.300  6400.86  240.504  314.733   5.9622  317.262   5.9693 -2.528839 8.436848 
1 1 1  -30    2   15 o  185.726   5.2194  2195.25  123.014  2312.61  175.576  2082.10  172.404  190.608   7.2535  180.843   7.5070 9.764755 10.43878 
1 1 1  -30    2   16 o  188.433   5.3022  2261.13  126.862  2306.59  179.668  2215.93  179.153  190.326   7.4335  186.539   7.5627 3.786926 10.60434 
1 1 1  -30    2   17 o  103.152   9.1185  691.913  116.758  525.801  165.169  857.830  165.072   90.478   14.375  115.825   11.223 -25.34728 18.23702 
1 1 1  -30    2   18 o  216.465   5.3941  2992.01  147.980  3140.19  206.530  2835.67  212.135  222.014   7.3253  210.916   7.9200 11.09842 10.78823 
1 1 1  -30    2   19 o  125.351   8.3875  1007.13  133.498  996.681  186.854  1018.03  190.798  124.693   11.800  126.009   11.923 -1.315895 16.77509 
1 1 1  -30    2   20 o  136.847   8.3373  1226.51  141.846  1003.27  208.885  1417.54  193.229  124.873   13.172  148.820   10.224 -23.94726 16.67466 
1 1 1  -30    2   21 o  132.253   8.9406  1133.69  148.757  963.655  211.332  1300.68  209.429  122.211   13.617  142.295   11.590 -20.08332 17.88122 
1 1 1  -30    2   22 o   93.117   12.542  574.730  144.670  699.327  212.094  466.320  197.837  103.613   16.119   82.621   19.218 20.99212 25.08302 
1 1 1  -30    2   23 o   54.218   12.662  142.604   92.511   90.103  106.747  301.007  185.419   41.538   15.328   66.898   20.159 -25.35959 25.32484 
1 1 1  -30    2   24 o  405.378   5.4123 10530.87  270.329 10597.28  343.688 10423.13  437.766  407.418   6.6427  403.338   8.5466 4.079163 10.82454 
1 1 1  -30    2   25 o   45.905   13.541 -65.3450  114.075 -141.2135  127.977  228.035  251.662   28.489   13.459   63.321   23.502 -34.83219 27.08277 
1 1 1  -30    2   26 o  150.298   7.9755  1437.11  133.951  1408.59  155.410  1519.51  264.179  148.141   8.2609  152.454   13.645 -4.313705 15.95101 
1 1 1  -30    2   27 o   88.768   13.668  481.976  132.460  409.291  151.056  723.864  275.565   77.125   15.949  100.411   22.200 -23.28555 27.33575 
1 1 1  -30    2   28 o   40.725   11.462 -17.0958  103.230  183.088  152.985 -184.4345  139.872   53.208   18.495   28.241   13.544 24.96691 22.92414 
1 1 1  -30    2   29 o   42.547   12.153   58.860  105.658 -21.6396  149.776  138.603  149.071   36.808   16.274   48.285   18.055 -11.47702 24.30638 
1 1 1  -30    2   31 f   48.724   12.653  161.573  103.396  202.713  150.171  124.492  142.572   52.383   18.318   45.066   17.461 7.316757 25.30656 
1 1 1  -30    2   32 o   53.824   18.990  232.372  161.635   0.0000   0.0000  232.372  161.635  ?   ?    53.824   18.990      ?      ? 
1 1 1  -30    4    1 o  322.931   3.7141  6631.88  152.130  6891.17  213.003  6361.89  217.351  329.385   5.0922  316.477   5.4081 12.90833 7.428143 
1 1 1  -30    4    2 o  395.159   3.9807  9918.77  199.602  9920.47  276.805  9916.94  288.092  395.197   5.5155  395.121   5.7415 0.7626343E-01 7.961463 
1 1 1  -30    4    3 o  386.036   3.9550  9469.34  193.815  9699.82  272.935  9234.89  275.273  390.779   5.4998  381.293   5.6849 9.485168 7.909920 
1 1 1  -30    4    4 o  489.745   4.5087 15230.43  280.171 15088.24  387.418 15386.32  405.653  487.354   6.2598  492.136   6.4907 -4.781952 9.017418 
1 1 1  -30    4    5 o  526.821   4.7109 17633.89  315.130 17952.16  445.563 17315.34  445.759  531.581   6.6003  522.062   6.7236 9.518738 9.421789 
1 1 1  -30    4    6 o  398.120   4.0954 10074.71  206.909 10459.33  291.653  9684.99  293.583  405.778   5.6598  390.461   5.9207 15.31711 8.190736 
1 1 1  -30    4    7 o  239.898   4.1441  3657.10  125.829  3669.47  171.241  3642.57  185.512  240.344   5.6105  239.452   6.1007 0.8920288 8.288273 
1 1 1  -30    4    8 o  266.918   4.0545  4528.13  136.760  4546.02  184.683  4506.40  203.499  267.510   5.4364  266.328   6.0168 1.182190 8.109035 
1 1 1  -30    4    9 o  453.509   4.4376 13073.64  255.389 13208.49  355.612 12930.02  367.005  455.931   6.1419  451.086   6.4067 4.845612 8.875154 
1 1 1  -30    4   10 o  213.046   4.4045  2890.15  118.874  2981.50  164.132  2789.36  172.399  216.601   5.9670  209.490   6.4803 7.111450 8.809036 
1 1 1  -30    4   11 o  267.502   5.7546  4548.03  195.487  4548.03  195.487   0.0000   0.0000  267.502   5.7546  ?   ?       ?      ? 
1 1 1  -30    4   12 o  265.564   4.2076  4462.80  141.546  4182.97  192.114  4795.07  209.346  256.504   5.8978  274.624   6.0027 -18.12045 8.415254 
1 1 1  -30    4   13 o   84.842   10.163  466.768  106.305  551.588  155.279  391.946  145.840   92.857   13.168   76.826   15.483 16.03049 20.32549 
1 1 1  -30    4   14 o  221.468   4.6526  3121.18  130.818  3142.48  183.267  3099.04  186.793  222.244   6.4935  220.691   6.6650 1.553116 9.305202 
1 1 1  -30    4   15 o  153.323   6.0045  1488.91  116.378  1705.79  171.542  1303.97  158.408  163.620   8.2558  143.027   8.7213 20.59239 12.00909 
1 1 1  -30    4   16 o   59.824   12.634  233.360  103.244  250.145  150.405  218.404  141.976   61.642   18.055   58.005   17.676 3.636482 25.26703 
1 1 1  -30    4   17 o   74.120   11.785  364.249  108.062  424.496  161.538  315.452  145.381   79.684   16.506   68.555   16.824 11.12916 23.56947 
1 1 1  -30    4   18 o   88.036   10.434  513.403  112.452  444.522  164.527  573.794  154.052   81.531   16.458   94.541   12.831 -13.01020 20.86854 
1 1 1  -30    4   19 o   88.120   11.500  515.026  123.554  730.470  181.048  327.228  169.034  106.551   13.380   69.689   18.707 36.86198 22.99985 
1 1 1  -30    4   20 f   50.240   12.666  144.059   96.890  156.022  115.132  115.023  179.369   49.667   16.031   50.812   19.614 -1.145126 25.33177 
1 1 1  -30    4   21 o   63.552   12.156  292.746  101.725  353.418  122.432  157.484  182.806   72.813   13.744   54.292   20.054 18.52063 24.31194 
1 1 1  -30    4   22 o  149.160   6.1069  1430.26  110.173  1444.96  136.821  1403.15  185.804  150.440   7.1616  147.880   9.8939 2.559479 12.21386 
1 1 1  -30    4   23 o   27.298   13.657 -703.4501  134.361 -844.0684  182.540 -537.1816  198.492  ?   ?    27.298   13.657      ?      ? 
1 1 1  -30    4   24 o   28.088   13.945 -534.8414  110.898 -578.1989  136.221 -449.6298  190.968  ?   ?    28.088   13.945      ?      ? 
1 1 1  -30    4   25 o   90.131   11.378  511.640  118.035  461.325  140.213  634.036  218.688   84.178   13.116   96.084   18.595 -11.90606 22.75509 
1 1 1  -30    4   26 o   55.354   13.847  175.192  117.824  134.682  146.533  249.293  198.180   48.928   17.974   61.781   21.069 -12.85297 27.69379 
1 1 1  -30    4   27 o   41.249   13.152 -53.1102  130.726 -50.0745  153.252 -61.2201  250.489   36.216   16.208   46.282   20.716 -10.06612 26.30312 
1 1 1  -30    4   28 o   48.416   14.212   85.779  133.127   99.752  155.986   48.309  255.440   45.922   18.125   50.909   21.894 -4.987228 28.42317 
1 1 1  -30    4   29 o   51.662   13.986  163.837  128.134  208.777  153.158   59.018  233.908   54.562   18.522   48.763   20.961 5.798084 27.97162 
1 1 1  -30    4   30 o   37.120   12.882 -359.5716  127.002   85.133  309.319 -449.7406  139.283   53.268   23.477   20.973   10.612 32.29497 25.76371 
1 1 1  -30    4   31 o   28.412   13.580 -145.1278  138.017   0.0000   0.0000 -145.1278  138.017  ?   ?    28.412   13.580      ?      ? 
1 1 1  -30    4   32 o   39.426   17.352   37.310  168.417   0.0000   0.0000   37.310  168.417  ?   ?    39.426   17.352      ?      ? 
1 1 1  -30    6    1 o  412.360   4.0665 10783.49  212.254 10557.98  287.470 11053.79  314.724  407.639   5.5531  417.081   5.9420 -9.441925 8.132939 
1 1 1  -30    6    2 o  334.006   3.8551  7038.17  161.958  6749.86  212.905  7434.14  249.512  325.955   5.1434  342.056   5.7440 -16.10086 7.710282 
1 1 1  -30    6    3 o  445.642   4.2480 12609.92  239.915 12480.77  328.156 12758.23  351.644  443.201   5.8304  448.082   6.1797 -4.880707 8.496047 
1 1 1  -30    6    4 o  226.013   3.9519  3230.29  112.710  3117.83  150.056  3375.88  170.731  221.527   5.3339  230.499   5.8326 -8.972107 7.903831 
1 1 1  -30    6    5 o  235.184   4.0396  3514.09  119.689  3511.07  159.497  3517.98  181.082  235.078   5.3427  235.289   6.0603 -0.2105865 8.079124 
1 1 1  -30    6    6 o  193.047   4.4058  2373.94  107.708  2459.50  148.583  2279.19  156.358  196.729   5.9473  189.365   6.5019 7.363663 8.811687 
1 1 1  -30    6    7 o  232.158   4.0723  3417.52  119.908  3272.81  164.591  3581.19  175.041  226.935   5.7112  237.382   5.8065 -10.44727 8.144528 
1 1 1  -30    6    8 o   99.270   7.8343  627.908   98.750  633.954  140.988  622.085  138.357   99.737   11.131   98.802   11.027 0.9347076 15.66853 
1 1 1  -30    6    9 o  333.376   4.1141  7028.38  173.123  6751.62  230.599  7385.87  262.078  325.911   5.5716  340.842   6.0548 -14.93164 8.228209 
1 1 1  -30    6   10 o  453.233   4.4969 13070.89  258.413 13187.21  356.362 12941.90  375.275  455.383   6.1622  451.083   6.5511 4.299561 8.993884 
1 1 1  -30    6   11 o  177.178   4.9122  1996.50  110.416  1975.40  152.413  2019.81  160.179  176.201   6.8114  178.156   7.0799 -1.954758 9.824492 
1 1 1  -30    6   12 o   66.798   11.640  298.526   97.984  305.188  134.112  290.899  143.506   67.593   15.891   66.003   17.013 1.589874 23.28069 
1 1 1  -30    6   13 o  228.104   4.6519  3315.17  134.349  3369.25  183.872  3253.22  196.780  230.123   6.2918  226.084   6.8538 4.038895 9.303892 
1 1 1  -30    6   14 o  254.186   4.5199  4103.50  145.595  3994.57  198.510  4230.30  214.187  250.556   6.2388  257.816   6.5419 -7.260162 9.039848 
1 1 1  -30    6   15 o  247.394   4.6462  3901.35  145.756  4102.67  204.781  3694.63  207.506  253.892   6.3513  240.896   6.7830 12.99597 9.292410 
1 1 1  -30    6   16 o   60.871   13.663  247.326  103.023  247.326  103.023   0.0000   0.0000   60.871   13.663  ?   ?       ?      ? 
1 1 1  -30    6   17 o  151.871   5.5677  1523.25  101.513  1658.18  127.992  1294.45  166.669  161.381   6.2453  142.360   9.2191 19.02110 11.13531 
1 1 1  -30    6   18 o  197.008   4.8350  2510.58  114.630  2596.44  142.467  2352.96  193.043  201.977   5.5544  192.040   7.9156 9.936874 9.669953 
1 1 1  -30    6   19 o  168.953   5.2679  1810.62  108.780  1783.03  135.956  1859.70  181.344  167.280   6.4000  170.626   8.3691 -3.346603 10.53572 
1 1 1  -30    6   20 o   50.864   12.744  148.137   99.324  147.999  122.100  148.406  170.776   49.099   16.538   52.629   19.393 -3.529636 25.48742 
1 1 1  -30    6   21 o  101.867   8.9684  646.714  109.314  603.538  131.992  740.999  195.050   96.893   10.727  106.840   14.376 -9.947197 17.93690 
1 1 1  -30    6   22 o   35.749   11.561 -77.6687  108.089 -41.3866  126.477 -175.9516  208.163   33.458   14.865   38.041   17.711 -4.582912 23.12240 
1 1 1  -30    6   23 o   24.894   8.8156 -410.6450  111.933 -304.6716  133.792 -657.8358  204.337   23.880   11.824   25.909   13.079 -2.029091 17.63123 
1 1 1  -30    6   24 o  121.575   9.0448  1030.95  125.293  1154.23  153.323  783.149  217.377  134.034   9.0077  109.116   15.687 24.91884 18.08956 
1 1 1  -30    6   25 o   41.164   12.628  -5.7029  120.926   45.114  148.253 -106.7247  209.029   41.818   17.247   40.510   18.451 1.307556 25.25660 
1 1 1  -30    6   26 o   62.274   13.037  282.823  123.465  399.235  152.263   59.349  210.965   75.894   16.286   48.654   20.362 27.23966 26.07378 
1 1 1  -30    6   27 o   73.185   13.567  409.821  129.552  485.003  160.764  270.565  218.795   83.497   15.739   62.873   22.103 20.62379 27.13427 
1 1 1  -30    6   28 o   41.684   13.764 -140.7591  166.377 -107.7805  294.017 -156.2936  201.793   46.774   21.519   36.595   17.167 10.17975 27.52819 
1 1 1  -30    6   29 o  415.183   6.8715 10238.19  336.277 14808.19  637.681  8477.76  395.781  471.008   10.661  359.358   8.6726 111.6501 13.74305 
1 1 1  -30    6   30 o   37.137   12.871 -345.1351  190.210 -291.5263  321.894 -373.8965  235.776   41.483   20.058   32.792   16.134 8.691662 25.74141 
1 1 1  -30    6   31 o   50.768   14.249  121.960  160.083 -149.8668  229.936  377.650  223.007   37.180   17.703   64.356   22.332 -27.17616 28.49807 
1 1 1  -30    8    1 o  517.771   4.6854 17043.05  307.196 16906.88  418.101 17202.79  452.860  515.560   6.3859  519.982   6.8580 -4.422668 9.370821 
1 1 1  -30    8    2 o  350.559   3.9476  7815.40  175.038  7836.44  237.337  7790.32  259.187  351.097   5.3231  350.021   5.8310 1.076111 7.895261 
1 1 1  -30    8    3 o  198.563   4.2513  2534.97  105.753  2720.13  141.811  2303.00  158.729  206.851   5.3985  190.275   6.5689 16.57558 8.502651 
1 1 1  -30    8    4 o   77.422   8.9192  398.285   82.492  429.885  106.511  350.920  130.403   82.101   10.216   72.742   14.624 9.359283 17.83841 
1 1 1  -30    8    5 o  162.687   6.3774  1683.50  131.758  1683.50  131.758   0.0000   0.0000  162.687   6.3774  ?   ?       ?      ? 
1 1 1  -30    8    6 o  174.725   4.7064  1912.47  103.379  1743.53  135.024  2151.79  160.706  165.555   6.4223  183.895   6.8815 -18.33942 9.412805 
1 1 1  -30    8    7 o  173.311   4.7427  1908.59  103.637  1890.22  138.225  1932.17  156.623  172.380   6.3143  174.242   7.0782 -1.861572 9.485330 
1 1 1  -30    8    8 o  283.987   4.1263  5118.47  147.640  5046.75  196.185  5212.13  224.196  281.724   5.4836  286.249   6.1674 -4.524994 8.252693 
1 1 1  -30    8    9 f   99.197   7.9035  654.178   95.454  805.848  129.396  473.102  141.385  112.429   9.0628   85.966   12.951 26.46381 15.80700 
1 1 1  -30    8   10 o  179.056   5.0440  2064.71  113.009  2212.78  151.006  1876.21  170.380  186.485   6.3764  171.628   7.8172 14.85672 10.08798 
1 1 1  -30    8   11 o  154.460   4.9010  1550.36   87.579  1598.43  105.095  1441.11  158.435  158.546   5.2197  150.374   8.2966 8.172012 9.802021 
1 1 1  -30    8   12 o  105.255   6.9756  714.545   87.668  729.170  107.693  685.813  150.947  106.971   7.9277  103.540   11.480 3.431175 13.95122 
1 1 1  -30    8   13 o  124.145   6.4824  985.110   93.310  987.268  111.309  980.009  171.141  124.505   7.0399  123.786   10.887 0.7189941 12.96482 
1 1 1  -30    8   14 o   39.627   11.285   51.051   83.288   65.524  100.214   18.726  149.769   38.450   14.706   40.805   17.122 -2.354218 22.57033 
1 1 1  -30    8   15 o   49.326   11.812  146.219   85.730  148.131  106.743  142.746  143.896   48.349   15.419   50.302   17.900 -1.952560 23.62490 
1 1 1  -30    8   16 o   49.389   12.130  143.101   91.598  145.981  117.129  138.567  146.968   48.683   16.197   50.096   18.061 -1.412388 24.25985 
1 1 1  -30    8   17 f  183.025   4.9502  2106.96  109.023  2048.07  133.367  2225.58  189.283  179.336   5.8560  186.715   7.9828 -7.378540 9.900397 
1 1 1  -30    8   18 o  108.082   7.5040  741.653   99.132  720.982  123.583  778.957  166.018  106.137   9.1688  110.028   11.882 -3.890350 15.00796 
1 1 1  -30    8   19 o   66.183   11.946  283.508   96.974  249.550  119.401  349.318  166.218   60.782   15.439   71.584   18.234 -10.80169 23.89222 
1 1 1  -30    8   20 o  134.716   7.5236  1166.45  116.323  1165.49  137.739  1168.85  217.213  134.987   8.0350  134.445   12.722 0.5422516 15.04720 
1 1 1  -30    8   21 o  293.430   8.7056  5519.21  324.400   0.0000   0.0000  5519.21  324.400  ?   ?   293.430   8.7056      ?      ? 
1 1 1  -30    8   22 o   38.171   11.917 -78.1000  111.684 -154.1006  140.250   53.621  184.639   29.814   14.087   46.529   19.224 -16.71453 23.83318 
1 1 1  -30    8   23 o  123.579   8.5837  1016.23  124.394  1060.88  151.594  924.188  217.648  128.406   9.2965  118.752   14.432 9.653351 17.16730 
1 1 1  -30    8   24 o   46.668   13.298   58.747  117.590   5.4302  145.460  159.309  199.770   38.696   16.578   54.640   20.796 -15.94421 26.59517 
1 1 1  -30    8   25 o   67.363   11.388  343.489  116.636  545.009  147.791   10.718  189.916   90.982   12.791   43.744   18.846 47.23857 22.77658 
1 1 1  -30    8   26 o   64.771   16.152  296.582  170.691  150.954  289.326  374.328  211.400   58.300   24.075   71.242   21.538 -12.94166 32.30301 
1 1 1  -30    8   27 o   59.007   14.159  231.390  164.834 -372.7212  331.260  430.194  190.031   42.305   20.429   75.708   19.609 -33.40355 28.31717 
1 1 1  -30    8   28 o  190.027   11.896  2351.09  191.326  5850.51  327.512  538.174  235.732  298.427   8.6419   81.627   22.168 216.7999 23.79297 
1 1 1  -30    8   29 f   42.970   13.525   14.729  149.775 -41.4933  223.835   60.309  201.541   41.466   18.966   44.474   19.286 -3.007938 27.04931 
1 1 1  -30    8   30 o   60.689   15.748  328.789  157.903  352.072  241.106  311.302  208.948   61.852   22.994   59.526   21.524 2.326424 31.49629 
1 1 1  -30   10    1 o   43.047   10.666   88.889   76.317   19.679  103.708  170.636  112.711   34.657   14.371   51.437   15.764 -16.77967 21.33113 
1 1 1  -30   10    2 o  224.130   4.1254  3219.02  115.771  3351.27  153.347  3043.74  176.542  229.562   5.2602  218.699   6.3566 10.86302 8.250788 
1 1 1  -30   10    3 o  536.867   5.7367 18133.24  365.317 17725.98  441.190 19021.46  651.553  527.732   6.5832  546.002   9.3968 -18.26996 11.47332 
1 1 1  -30   10    4 o  131.467   5.3436  1075.50   77.550  1050.52   89.238  1152.54  156.743  128.520   5.4677  134.414   9.1826 -5.894043 10.68719 
1 1 1  -30   10    5 o   77.479   8.2139  395.186   72.061  403.859   86.857  376.033  129.076   79.588   8.5937   75.371   14.001 4.216667 16.42778 
1 1 1  -30   10    6 f  272.137   4.0693  4567.11  122.816  4423.47  141.397  5008.44  247.850  263.808   4.2206  280.466   6.9588 -16.65826 8.138655 
1 1 1  -30   10    7 o   33.659   10.223  -0.4840   72.408   2.7087   85.932  -8.3009  134.460   30.336   12.861   36.983   15.894 -6.646334 20.44611 
1 1 1  -30   10    8 o  382.748   4.4536  9429.92  191.753  9555.60  224.922  9095.53  366.868  387.687   4.5685  377.810   7.6464 9.877167 8.907246 
1 1 1  -30   10    9 o  248.136   4.2716  3757.48  119.808  3579.55  138.949  4273.15  236.544  237.274   4.6114  258.997   7.1918 -21.72321 8.543239 
1 1 1  -30   10   10 o   51.286   11.447  149.085   80.849  105.438   98.957  236.712  140.214   42.723   14.874   59.850   17.404 -17.12675 22.89395 
1 1 1  -30   10   11 o  102.660   7.4540  688.888   86.146  706.950  101.481  642.300  162.978  105.308   7.5883  100.012   12.832 5.296600 14.90799 
1 1 1  -30   10   12 o  206.176   4.5582  2683.37  110.559  2644.66  132.817  2770.72  199.510  203.890   5.1296  208.462   7.5363 -4.572250 9.116393 
1 1 1  -30   10   13 o   95.972   7.9648  554.688   91.707  489.451  110.214  701.509  165.343   87.463   9.9227  104.481   12.461 -17.01788 15.92950 
1 1 1  -30   10   14 o   94.035   9.2107  627.567   94.476  711.208  115.341  457.033  164.695  105.506   8.6085   82.564   16.286 22.94244 18.42139 
1 1 1  -30   10   15 o   53.307   11.641  192.537   89.814  244.408  109.105   83.500  158.188   60.289   14.441   46.324   18.263 13.96461 23.28207 
1 1 1  -30   10   16 o  268.259   4.4915  4538.96  137.866  4476.48  162.323  4700.70  261.180  265.210   4.8196  271.307   7.5805 -6.097107 8.982947 
1 1 1  -30   10   17 o   92.101   10.031  562.015  105.615  568.504  127.959  548.148  187.067   94.039   10.715   90.164   16.960 3.874489 20.06113 
1 1 1  -30   10   18 o   81.039   12.388  367.725  115.295  253.053  134.257  689.860  225.023   61.154   16.780  100.924   18.228 -39.76922 24.77586 
1 1 1  -30   10   19 f  178.959   12.297  3139.44  164.585  5026.93  214.054  409.832  257.415  280.724   6.0044   77.194   23.851 203.5301 24.59469 
1 1 1  -30   10   20 o  166.732   6.2688  1706.33  125.145  1565.95  150.784  2017.09  224.347  156.428   7.5904  177.035   9.9789 -20.60696 12.53766 
1 1 1  -30   10   21 o   33.626   11.016 -128.7421  108.167 -167.4591  137.922 -66.8795  174.340   28.879   13.740   38.374   17.222 -9.494129 22.03143 
1 1 1  -30   10   22 o   97.344   10.884  693.013  119.318  841.625  152.195  455.991  192.206  114.010   10.512   80.678   19.063 33.33229 21.76889 
1 1 1  -30   10   23 o   45.094   12.535   66.421  116.614  176.586  145.927 -128.2403  193.978   52.560   18.075   37.629   17.372 14.93128 25.06978 
1 1 1  -30   10   24 o   41.000   13.363 -129.2428  161.430 -351.0800  285.414 -24.8944  195.749   39.837   19.168   42.162   18.624 -2.325287 26.72603 
1 1 1  -30   10   25 o   70.116   18.045  267.094  167.747  620.914  400.983  192.038  184.684   85.592   29.932   54.639   20.162 30.95227 36.08928 
1 1 1  -30   10   26 o   55.217   21.538 -581.4397  153.884 -1350.8640  217.212  193.871  218.041  ?   ?    55.217   21.538      ?      ? 
1 1 1  -30   10   27 o   32.197   11.125 -368.8013  155.237 -621.9522  231.145 -160.8000  209.521   28.106   14.153   36.287   17.168 -8.181082 22.24942 
1 1 1  -30   10   28 o   47.200   14.381   98.463  154.027  117.388  242.280   85.626  199.542   49.183   21.237   45.217   19.396 3.966705 28.76133 
1 1 1  -30   10   29 o   49.660   13.632   7.3096  169.711 -537.1686  253.089  452.153  228.764   30.356   15.221   68.965   22.620 -38.60896 27.26452 
1 1 1  -30   12    1 o  262.628   3.9592  4335.71  116.755  4275.35  135.878  4506.03  228.246  259.319   4.1261  265.937   6.7584 -6.618011 7.918401 
1 1 1  -30   12    2 o  207.507   4.1252  2705.51   97.852  2660.73  115.052  2822.60  186.041  204.555   4.4290  210.459   6.9609 -5.904663 8.250444 
1 1 1  -30   12    3 o  165.298   4.7242  1688.45   90.113  1620.09  106.067  1865.79  170.841  159.571   5.2342  171.026   7.8660 -11.45477 9.448319 
1 1 1  -30   12    4 o  218.578   4.1106  3031.01  103.550  3016.94  122.769  3065.71  192.762  217.816   4.4383  219.340   6.9203 -1.523193 8.221287 
1 1 1  -30   12    5 o  164.412   4.7587  1738.47   92.379  1767.35  112.196  1677.67  162.781  166.659   5.3011  162.165   7.9044 4.493332 9.517438 
1 1 1  -30   12    6 o  221.945   4.2675  3158.02  107.433  3184.83  126.481  3088.58  203.564  223.789   4.4505  220.101   7.2828 3.687988 8.535039 
1 1 1  -30   12    7 o  312.957   4.1919  6324.73  150.619  6448.60  179.232  6027.01  277.876  318.437   4.4322  307.477   7.1164 10.95975 8.383752 
1 1 1  -30   12    8 o  203.751   5.2295  2645.81  135.248  2537.92  188.643  2759.93  194.010  199.474   7.4469  208.029   7.3438 -8.554504 10.45890 
1 1 1  -30   12    9 o  136.628   5.8562  1225.61   93.473  1283.27  113.533  1104.28  164.687  141.923   6.2993  131.334   9.8743 10.58994 11.71246 
1 1 1  -30   12   10 o   46.321   11.666  121.200   89.424  170.362  109.499   22.751  154.953   51.075   15.514   41.567   17.427 9.508663 23.33233 
1 1 1  -30   12   11 o  179.327   5.1381  2103.13  107.673  2190.19  130.586  1918.23  190.302  185.454   5.5447  173.199   8.6521 12.25555 10.27630 
1 1 1  -30   12   12 o   96.903   8.1351  611.841   90.584  622.784  107.879  585.681  166.795   98.670   8.6094   95.136   13.806 3.534126 16.27018 
1 1 1  -30   12   13 o   80.919   9.9172  418.616   91.427  399.192  108.747  465.446  168.852   78.797   10.868   83.041   16.592 -4.243973 19.83441 
1 1 1  -30   12   14 o  131.844   6.5682  995.385   97.855  872.940  112.140  1386.24  200.353  116.879   7.5552  146.810   10.746 -29.93137 13.13644 
1 1 1  -30   12   15 o  130.109   7.6890  818.646  109.356  574.159  122.598  1770.54  241.908   94.514   10.214  165.704   11.496 -71.19012 15.37805 
1 1 1  -30   12   16 o   78.524   22.159  428.487  230.593   0.0000   0.0000  428.487  230.593  ?   ?    78.524   22.159      ?      ? 
1 1 1  -30   12   17 o  189.162   5.6451  2240.77  123.788  2170.36  146.502  2416.52  231.454  184.394   6.2563  193.930   9.3981 -9.536072 11.29011 
1 1 1  -30   12   18 o  104.308   9.4067  697.310  118.659  672.135  145.828  746.639  204.129  101.941   11.265  106.675   15.068 -4.734467 18.81337 
1 1 1  -30   12   19 o  143.607   7.1627  1319.98  127.135  1282.04  161.161  1382.50  206.870  141.153   8.9907  146.061   11.153 -4.907761 14.32542 
1 1 1  -30   12   20 f   62.119   13.094  271.751  122.953  391.900  157.118   81.931  197.487   75.185   16.870   49.053   20.031 26.13218 26.18849 
1 1 1  -30   12   21 o   82.226   12.285  490.885  123.770  576.631  159.569  361.388  196.098   93.394   13.454   71.057   20.559 22.33676 24.57010 
1 1 1  -30   12   22 o  194.249   8.2568  2327.35  192.427  2986.14  347.227  2035.34  231.172  212.040   12.895  176.460   10.316 35.57999 16.51362 
1 1 1  -30   12   23 o   48.431   15.049   1.6439  159.529  128.729  305.892 -45.8345  186.968   57.200   24.259   39.661   17.815 17.53968 30.09782 
1 1 1  -30   12   24 o   80.507   25.240 -524.7407  166.179 -1062.9189  203.791  543.313  287.090  ?   ?    80.507   25.240      ?      ? 
1 1 1  -30   12   25 o   36.036   12.321 -285.8896  170.441 -195.7011  251.400 -362.6063  231.865   39.082   18.581   32.991   16.185 6.091400 24.64150 
1 1 1  -30   12   26 o   46.261   14.294   46.647  156.169  185.807  252.115 -39.9928  198.930   53.332   22.284   39.190   17.907 14.14199 28.58783 
1 1 1  -30   12   27 o   34.598   11.723 -196.2502  145.356 -43.8619  221.152 -312.1507  192.867   39.871   18.457   29.325   14.459 10.54652 23.44633 
1 1 1  -30   14    1 o  225.854   4.3536  3173.46  111.177  3083.47  129.495  3425.76  216.829  220.111   4.6327  231.596   7.3724 -11.48480 8.707111 
1 1 1  -30   14    2 o  217.771   4.4525  3063.72  110.443  3115.77  130.669  2933.54  206.652  221.261   4.6504  214.280   7.5942 6.981018 8.904915 
1 1 1  -30   14    3 o  218.129   4.4413  3032.27  110.205  3030.20  129.687  3037.67  209.063  218.199   4.6802  218.059   7.5496 0.1400146 8.882651 
1 1 1  -30   14    4 o   47.039   11.984  121.868   85.329  122.139  100.795  121.184  160.304   44.655   15.026   49.422   18.672 -4.766762 23.96742 
1 1 1  -30   14    5 o  332.728   4.3305  6855.18  160.542  6646.07  185.348  7483.32  321.235  323.168   4.5163  342.288   7.3902 -19.11920 8.660924 
1 1 1  -30   14    6 o   63.563   11.488  277.202   86.880  287.797  102.073  249.344  165.516   65.679   12.697   61.447   19.148 4.232418 22.97536 
1 1 1  -30   14    7 o  129.887   6.2381  1087.51   93.725  1097.73  111.849  1063.40  171.745  131.155   6.7154  128.620   10.515 2.534225 12.47620 
1 1 1  -30   14    8 o   91.642   8.2239  488.070   88.195  414.639  103.283  685.774  169.472   80.341   10.123  102.943   12.964 -22.60127 16.44779 
1 1 1  -30   14    9 o  109.439   7.4208  723.438   94.514  660.593  111.027  888.840  180.122  101.560   8.6085  117.318   12.090 -15.75790 14.84160 
1 1 1  -30   14   10 o  292.973   4.8715  5155.57  171.630  4546.69  206.760  6504.81  307.785  266.991   6.0981  318.955   7.5987 -51.96301 9.743061 
1 1 1  -30   14   11 o  188.074   9.7535  2273.34  232.953   0.0000   0.0000  2273.34  232.953  ?   ?   188.074   9.7535      ?      ? 
1 1 1  -30   14   12 o   85.611   10.202  416.149   99.529  329.448  115.305  669.551  197.126   70.096   13.442  101.126   15.350 -31.03084 20.40373 
1 1 1  -30   14   13 o  199.854   5.1413  2393.77  120.576  2163.24  142.340  2979.49  226.884  184.107   6.0880  215.601   8.2866 -31.49345 10.28261 
1 1 1  -30   14   14 o  164.060   5.9112  1741.85  112.470  1764.93  134.616  1688.52  204.671  166.224   6.3771  161.896   9.9550 4.327728 11.82242 
1 1 1  -30   14   15 o  136.579   7.0022  1186.30  118.948  1124.48  151.823  1284.54  191.410  132.213   9.0425  140.946   10.694 -8.733429 14.00444 
1 1 1  -30   14   16 o  132.638   7.2627  1134.19  120.141  1116.92  155.385  1159.84  189.443  131.611   9.2969  133.665   11.160 -2.054581 14.52542 
1 1 1  -30   14   17 o   50.544   12.758  150.377  109.512  222.277  138.814   31.870  178.213   57.115   17.493   43.973   18.576 13.14162 25.51551 
1 1 1  -30   14   18 o  124.275   7.6756  1022.48  115.293  1060.05  144.312  956.184  191.695  128.031   8.8758  120.518   12.525 7.512802 15.35116 
1 1 1  -30   14   19 o  140.457   8.5565  1297.52  152.246  1425.93  223.393  1186.16  208.042  146.976   11.969  133.938   12.231 13.03812 17.11299 
1 1 1  -30   14   20 o   54.632   15.242  152.340  145.169  232.687  265.189  117.961  173.470   60.966   23.760   48.298   19.098 12.66808 30.48395 
1 1 1  -30   14   21 o   42.489   13.283  -3.2673  139.690   5.3680  183.058 -15.3061  216.142   41.478   18.176   43.499   19.373 -2.020378 26.56515 
1 1 1  -30   14   22 o   87.270   19.005 -45.8932  158.656  579.822  204.659 -988.2695  251.162   87.270   19.005  ?   ?       ?      ? 
1 1 1  -30   14   23 o   46.254   14.428   36.147  159.525  128.323  264.315 -16.6686  200.075   51.754   22.265   40.755   18.356 10.99902 28.85611 
1 1 1  -30   14   24 o   60.076   15.126  311.984  162.682   87.081  273.935  434.518  202.199   48.991   21.815   71.161   20.960 -22.16988 30.25259 
1 1 1  -30   14   25 o   59.689   16.619  326.129  181.373  435.262  290.789  256.637  232.042   64.673   24.970   54.706   21.937 9.966610 33.23801 
1 1 1  -30   16    1 o  109.284   8.1604  801.087   96.784  829.780  112.273  718.085  190.954  113.809   7.7682  104.760   14.353 9.049622 16.32076 
1 1 1  -30   16    2 o  195.439   5.2771  2488.02  116.938  2543.40  138.195  2348.40  219.436  199.706   5.4491  191.173   9.0387 8.532761 10.55415 
1 1 1  -30   16    3 o  158.532   5.8364  1551.08  108.799  1459.04  129.453  1772.48  200.775  151.084   6.7471  165.979   9.5253 -14.89523 11.67281 
1 1 1  -30   16    4 o  170.300   6.1003  1881.65  129.584  1985.38  170.972  1741.62  198.645  176.073   7.6464  164.528   9.5074 11.54449 12.20070 
1 1 1  -30   16    5 o  115.095   7.2602  885.908   98.344  949.062  121.150  763.891  168.395  121.703   7.8387  108.488   12.223 13.21577 14.52044 
1 1 1  -30   16    6 o  126.588   6.4598  990.806  100.039  893.741  123.390  1176.99  170.894  118.037   8.2316  135.139   9.9579 -17.10229 12.91967 
1 1 1  -30   16    7 o   67.433   12.953  293.354  108.120  250.803  130.835  384.994  192.006   60.570   16.542   74.297   19.936 -13.72710 25.90523 
1 1 1  -30   16    8 o  168.809   6.1104  1829.31  121.214  1826.23  146.013  1836.12  217.412  168.962   6.8049  168.656   10.151 0.3068542 12.22082 
1 1 1  -30   16    9 o  188.337   5.6403  2296.98  120.399  2322.85  141.857  2230.34  227.675  190.713   5.8573  185.962   9.6408 4.750977 11.28064 
1 1 1  -30   16   10 o  152.304   6.6548  1576.03  115.368  1698.19  139.018  1305.79  206.769  162.878   6.7210  141.731   11.488 21.14658 13.30961 
1 1 1  -30   16   11 o  118.539   7.8819  886.841  114.339  819.745  141.555  1012.79  193.942  112.568   9.9022  124.509   12.266 -11.94115 15.76389 
1 1 1  -30   16   12 o  115.793   7.9117  870.440  107.703  865.513  129.757  881.353  193.116  115.822   8.8219  115.764   13.136 0.5751801E-01 15.82349 
1 1 1  -30   16   13 o  102.643   9.1338  654.641  114.025  565.251  139.070  837.988  199.172   92.884   11.790  112.401   13.953 -19.51717 18.26755 
1 1 1  -30   16   14 o   66.749   11.055  336.115  112.040  547.610  144.113   12.954  178.140   91.076   12.460   42.422   18.264 48.65379 22.10963 
1 1 1  -30   16   15 o   59.900   13.295  258.362  111.805  286.958  136.978  201.284  193.521   63.535   16.742   56.265   20.658 7.270134 26.59005 
1 1 1  -30   16   16 o   47.768   19.473   96.859  186.244   0.0000   0.0000   96.859  186.244  ?   ?    47.768   19.473      ?      ? 
1 1 1  -30   16   17 o   86.537   13.265  554.953  141.942  647.761  203.380  466.817  198.194   94.485   17.597   78.589   19.852 15.89592 26.52905 
1 1 1  -30   16   18 o  242.020   6.4786  3876.02  197.969  4181.80  273.990  3542.00  286.359  252.623   8.5405  231.416   9.7440 21.20625 12.95712 
1 1 1  -30   16   19 o   85.713   13.129  557.058  142.515  417.816  197.512  708.292  205.840   72.306   20.544   99.121   16.353 -26.81526 26.25772 
1 1 1  -30   16   20 o   75.045   14.289  449.077  137.197  525.815  217.317  398.223  176.909   79.587   21.143   70.502   19.228 9.085159 28.57873 
1 1 1  -30   16   21 o   40.259   12.909 -25.4019  147.426 -190.8060  242.927   71.031  185.488   37.332   17.889   43.186   18.615 -5.854469 25.81766 
1 1 1  -30   16   22 o   51.737   15.071  201.572  157.144  255.426  248.303  165.589  202.962   54.815   22.431   48.660   20.134 6.155487 30.14184 
1 1 1  -30   18    1 o  189.857   5.9310  2413.52  121.817  2493.52  140.999  2178.04  241.906  197.289   5.6278  182.425   10.442 14.86354 11.86200 
1 1 1  -30   18    2 o   83.199   11.255  537.994  100.834  609.092  118.715  353.857  191.051   96.695   9.6678   69.704   20.329 26.99038 22.51083 
1 1 1  -30   18    3 o  118.723   7.8146  921.265  104.785  916.618  122.856  933.669  200.713  119.067   8.1250  118.379   13.351 0.6880264 15.62920 
1 1 1  -30   18    4 o   78.373   11.730  457.026  106.336  504.825  127.604  348.399  192.366   87.575   11.474   69.171   20.464 18.40372 23.46071 
1 1 1  -30   18    5 o   53.682   13.114  188.132  104.022  187.360  125.893  189.792  184.676   52.364   16.750   55.000   20.182 -2.636616 26.22715 
1 1 1  -30   18    6 o  134.083   6.7413  1186.98  108.301  1220.82  133.973  1123.18  183.980  137.486   7.6733  130.680   11.086 6.805283 13.48269 
1 1 1  -30   18    7 o  109.967   8.6472  764.378  108.222  719.052  125.976  892.055  211.428  105.005   9.4471  114.929   14.486 -9.924446 17.29445 
1 1 1  -30   18    8 o  140.541   7.6013  1345.29  114.039  1388.74  131.353  1212.29  229.808  146.733   7.0491  134.349   13.470 12.38432 15.20261 
1 1 1  -30   18    9 o  136.123   7.4003  1186.60  116.422  1140.73  137.456  1303.03  218.991  132.548   8.1661  139.698   12.344 -7.149979 14.80067 
1 1 1  -30   18   10 o   34.839   11.294 -169.2097  102.217 -264.2207  120.067   80.993  194.841   22.535   11.166   47.142   19.635 -24.60711 22.58774 
1 1 1  -30   18   11 o   52.591   11.997  210.653   98.499  273.333  111.504 -12.0142  210.162   62.019   14.429   43.164   19.170 18.85516 23.99385 
1 1 1  -30   18   12 o  126.036   17.267 -234.1279  146.415 -769.0294  172.632  1136.80  276.371  ?   ?   126.036   17.267      ?      ? 
1 1 1  -30   18   13 o   82.586   25.204  584.681  288.489   0.0000   0.0000  584.681  288.489  ?   ?    82.586   25.204      ?      ? 
1 1 1  -30   18   14 o   33.386   11.369 -229.9392  142.676 -209.7625  195.567 -252.8974  208.612   33.338   15.996   33.434   16.162 -0.9674454E-01 22.73894 
1 1 1  -30   18   15 o   38.605   12.609 -99.7984  146.671   16.002  213.395 -203.4888  201.929   43.294   19.268   33.916   16.268 9.377918 25.21738 
1 1 1  -30   18   16 o   47.419   13.816  129.898  134.403  118.354  195.691  140.205  184.914   46.995   19.635   47.842   19.442 -0.8466644 27.63152 
1 1 1  -30   18   17 o   58.111   14.882  270.683  137.399  372.787  227.768  212.272  172.274   64.112   22.551   52.110   19.424 12.00156 29.76332 
1 1 1  -30   18   18 o   37.888   12.503 -90.1596  153.725 -265.5851  240.620   30.820  199.821   34.552   16.851   41.224   18.474 -6.672146 25.00522 
1 1 1  -30   20    1 o  111.257   11.151  844.238  157.549  844.238  157.549   0.0000   0.0000  111.257   11.151  ?   ?       ?      ? 
1 1 1  -30   20    2 o   32.344   14.773 -50.4176  135.206 -50.4176  135.206   0.0000   0.0000   32.344   14.773  ?   ?       ?      ? 
1 1 1  -30   20    3 o   56.213   17.449  242.914  137.590  242.914  137.590   0.0000   0.0000   56.213   17.449  ?   ?       ?      ? 
1 1 1  -30   20    4 o   74.397   16.420  418.297  150.983  418.297  150.983   0.0000   0.0000   74.397   16.420  ?   ?       ?      ? 
1 1 1  -30   20    5 o   53.371   14.299  175.492  121.551  118.049  142.385  329.827  233.388   44.211   17.359   62.531   22.727 -18.31982 28.59826 
1 1 1  -30   20    6 o   84.102   13.597  502.780  127.161  432.190  146.311  720.742  257.098   76.021   15.676   92.183   22.222 -16.16210 27.19479 
1 1 1  -30   20    7 o   37.863   11.899   4.7150  100.883 -12.6820  117.039   55.003  198.988   32.081   14.274   43.645   19.043 -11.56381 23.79888 
1 1 1  -30   20    8 o   38.725   12.081   18.502  104.915   2.2376  123.481   60.724  198.949   33.713   14.847   43.736   19.063 -10.02271 24.16248 
1 1 1  -30   20    9 o   55.773   13.455  225.682  104.490  185.880  122.326  333.096  200.956   49.446   16.554   62.101   21.215 -12.65442 26.90969 
1 1 1  -30   20   10 o   65.280   13.335  329.603  120.055  206.206  154.141  519.901  191.418   51.284   18.496   79.276   19.214 -27.99155 26.66977 
1 1 1  -30   20   11 o   40.215   12.653  -7.0697  137.093 -153.4438  195.599  134.266  192.203   33.873   16.184   46.556   19.456 -12.68287 25.30682 
1 1 1  -29    1    1 o  1241.72   9.7459 98080.34  1536.82 98098.45  2173.71 98062.23  2173.07  1241.83   13.784  1241.60   13.782 0.2290039 19.49178 
1 1 1  -29    1    2 o  801.428   6.5116 40805.65  662.576 40357.75  925.615 41276.34  948.866  796.924   9.1461  805.933   9.2710 -9.009521 13.02318 
1 1 1  -29    1    3 o  667.042   5.5773 28269.12  472.452 28294.69  668.099 28243.54  668.198  667.344   7.8834  666.740   7.8917 0.6038818 11.15468 
1 1 1  -29    1    4 o  509.218   4.6089 16470.82  298.024 16422.05  418.800 16520.86  424.190  508.455   6.4860  509.981   6.5498 -1.525269 9.217821 
1 1 1  -29    1    5 o  664.730   5.5935 28069.62  472.126 27822.09  661.756 28326.23  673.782  661.747   7.8746  667.712   7.9461 -5.964966 11.18701 
1 1 1  -29    1    6 o  188.271   4.8193  2247.09  115.079  2100.07  159.054  2408.61  166.708  181.821   6.8885  194.721   6.7416 -12.90068 9.638500 
1 1 1  -29    1    7 o  344.215   4.0551  7510.42  176.975  7271.20  242.157  7784.68  259.282  338.345   5.6358  350.085   5.8321 -11.73901 8.110210 
1 1 1  -29    1    8 o  938.846   7.5381 56014.39  898.518 56844.65  1288.24 55227.86  1253.85  945.612   10.728  932.081   10.593 13.53101 15.07623 
1 1 1  -29    1    9 o  327.709   4.0161  6818.54  167.098  7007.18  239.012  6638.18  233.702  332.141   5.6666  323.277   5.6926 8.864197 8.032162 
1 1 1  -29    1   10 o  345.980   4.1149  7603.69  180.794  7593.62  256.414  7613.63  254.954  345.751   5.8398  346.208   5.7989 -0.4562378 8.229889 
1 1 1  -29    1   11 o  135.812   6.3832  1183.33  108.742  976.668  154.514  1386.12  153.065  123.941   9.8169  147.683   8.1614 -23.74193 12.76639 
1 1 1  -29    1   12 o  165.572   5.5794  1742.64  117.227  1744.38  162.724  1740.77  169.025  165.661   7.7349  165.482   8.0430 0.1784821 11.15881 
1 1 1  -29    1   13 o  232.753   4.5531  3449.64  134.080  3091.98  188.822  3813.39  190.424  220.551   6.7417  244.955   6.1215 -24.40457 9.106196 
1 1 1  -29    1   14 o  177.939   5.3331  2016.69  120.335  1954.97  173.265  2074.19  167.252  175.295   7.7833  180.583   7.2932 -5.287491 10.66629 
1 1 1  -29    1   15 f   58.291   12.010  182.497  110.310  394.115  161.730  -1.5848  150.841   76.850   17.020   39.731   16.948 37.11899 24.01958 
1 1 1  -29    1   16 f  152.253   6.3461  1475.98  122.541  1586.05  176.142  1372.74  170.589  157.760   8.7920  146.746   9.1539 11.01398 12.69226 
1 1 1  -29    1   17 o  203.171   5.2921  2629.24  136.415  2644.52  189.193  2612.68  196.875  203.799   7.3101  202.542   7.6542 1.257416 10.58414 
1 1 1  -29    1   18 o   48.993   12.792   19.778  125.527 -190.4585  169.661  274.059  186.588   32.879   15.522   65.108   20.337 -32.22993 25.58407 
1 1 1  -29    1   19 o   68.919   11.962  263.797  129.760  595.286  191.097 -19.8098  176.757   96.081   15.662   41.757   18.085 54.32399 23.92381 
1 1 1  -29    1   20 o  175.033   6.3768  1956.84  141.712  1930.33  201.627  1982.72  199.217  173.848   9.1327  176.217   8.9023 -2.369064 12.75370 
1 1 1  -29    1   21 o  188.868   6.7750  2278.94  162.403  2362.69  234.510  2201.76  225.122  192.195   9.6082  185.542   9.5543 6.653244 13.55000 
1 1 1  -29    1   22 o   59.603   14.736  208.087  137.283  253.879  205.546  171.209  184.458   63.633   21.458   55.572   20.204 8.061039 29.47241 
1 1 1  -29    1   23 o   81.164   13.464  434.028  146.168  669.294  214.230  229.112  199.935  101.209   16.668   61.120   21.149 40.08964 26.92790 
1 1 1  -29    1   24 o  133.859   6.7066  1154.02  101.712  1159.57  119.608  1139.50  193.302  134.758   6.9892  132.960   11.448 1.797897 13.41311 
1 1 1  -29    1   25 o   30.345   15.093 -483.4967  108.939 -464.0901  124.064 -548.8503  227.669  ?   ?    30.345   15.093      ?      ? 
1 1 1  -29    1   26 o   55.551   14.691  154.978  114.253  146.115  125.923  196.255  271.751   48.825   16.791   62.277   24.113 -13.45129 29.38294 
1 1 1  -29    1   27 o   81.111   10.962  454.150  108.969  278.804  152.910  635.090  155.330   63.543   18.084   98.680   12.395 -35.13720 21.92410 
1 1 1  -29    1   28 o   88.062   10.170  526.079  109.899  453.614  157.876  594.205  153.076   81.066   15.904   95.058   12.681 -13.99224 20.34019 
1 1 1  -29    1   29 o   31.317   10.353 -127.9397  102.770 -78.9062  147.475 -174.2317  143.293   33.650   15.392   28.985   13.849 4.665642 20.70549 
1 1 1  -29    1   30 o   65.903   12.288  322.372  106.128  250.316  154.801  386.275  145.780   58.581   18.556   73.225   16.114 -14.64340 24.57612 
1 1 1  -29    1   31 f   26.335   9.1566 -288.2814  104.953 -162.8574  154.707 -395.2197  142.852   30.251   14.436   22.419   11.268 7.831570 18.31311 
1 1 1  -29    1   32 o   36.513   11.283 -22.9031  104.424  107.112  153.728 -134.2896  142.289   43.737   17.744   29.289   13.941 14.44821 22.56505 
1 1 1  -29    1   33 o   49.883   14.883   62.762  189.005  415.023  265.131 -301.2274  269.509   63.948   24.045   35.818   17.547 28.13005 29.76685 
1 1 1  -29    3    1 o  405.430   3.9981 10433.73  205.738 10247.72  285.414 10634.93  296.838  401.672   5.5953  409.188   5.7124 -7.515594 7.996200 
1 1 1  -29    3    2 o  1271.89   9.9863 102896.40  1612.70 104185.90  2307.49 101665.20  2254.84  1279.67   14.199  1264.12   14.046 15.54785 19.97268 
1 1 1  -29    3    3 o  283.568   3.7673  5095.74  135.477  4897.20  185.702  5321.64  198.084  277.677   5.2662  289.458   5.3887 -11.78110 7.534679 
1 1 1  -29    3    4 o  369.796   3.9819  8675.68  186.877  9087.72  269.296  8292.95  259.541  378.256   5.6062  361.336   5.6561 16.91953 7.963705 
1 1 1  -29    3    5 o  903.878   7.2676 51906.72  833.844 51153.42  1158.89 52715.35  1200.69  897.091   10.173  910.665   10.382 -13.57330 14.53520 
1 1 1  -29    3    6 o  433.742   6.1823 11950.38  340.536   0.0000   0.0000 11950.38  340.536  ?   ?   433.742   6.1823      ?      ? 
1 1 1  -29    3    7 o   54.565   12.241  185.518   95.190  174.444  131.319  197.780  138.183   53.125   17.119   56.005   17.503 -2.880669 24.48262 
1 1 1  -29    3    8 o  288.694   3.9555  5294.61  144.787  5307.40  199.361  5280.33  210.624  289.066   5.4308  288.322   5.7525 0.7440186 7.911033 
1 1 1  -29    3    9 f  145.231   5.5902  1340.36  103.091  1347.48  144.952  1333.08  146.648  145.622   7.8383  144.840   7.9728 0.7818146 11.18049 
1 1 1  -29    3   10 o  347.645   5.9403  7677.69  262.252   0.0000   0.0000  7677.69  262.252  ?   ?   347.645   5.9403      ?      ? 
1 1 1  -29    3   11 o  489.409   4.6316 15222.27  287.735 15308.23  401.643 15131.64  412.408  490.834   6.4436  487.983   6.6549 2.850830 9.263271 
1 1 1  -29    3   12 o   99.729   8.6612  635.814  109.300  599.311  158.376  669.010  151.032   96.969   12.861  102.488   11.604 -5.519501 17.32245 
1 1 1  -29    3   13 o  154.616   5.9896  1521.67  117.570  1498.95  167.561  1543.70  165.006  153.474   8.5973  155.758   8.3420 -2.284225 11.97927 
1 1 1  -29    3   14 o   59.210   11.919  229.873  103.044   80.286  155.544  346.871  137.561   46.196   18.142   72.224   15.465 -26.02806 23.83861 
1 1 1  -29    3   15 o  258.176   4.5512  4233.31  149.094  4048.17  206.017  4436.92  216.043  252.260   6.4310  264.093   6.4418 -11.83368 9.102417 
1 1 1  -29    3   16 o   98.929   8.9476  629.548  110.163  795.948  159.251  476.853  152.552  111.613   11.235   86.246   13.928 25.36661 17.89514 
1 1 1  -29    3   17 o   46.066   11.330 -26.9178  109.676  285.247  161.159 -296.2237  149.687   65.542   18.535   26.589   13.036 38.95237 22.66016 
1 1 1  -29    3   18 f  149.464   9.6186  1426.38  182.570  1426.38  182.570   0.0000   0.0000  149.464   9.6186  ?   ?       ?      ? 
1 1 1  -29    3   19 o   45.924   13.216   56.432  121.300   27.805  180.206   80.147  164.022   44.991   18.823   46.858   18.557 -1.866776 26.43250 
1 1 1  -29    3   20 o  167.485   6.6065  1792.91  140.447  1786.08  201.588  1799.36  195.783  167.157   9.4965  167.814   9.1869 -0.6564178 13.21296 
1 1 1  -29    3   21 o  205.447   5.3020  2635.00  122.831  2569.78  142.960  2818.91  240.071  200.909   5.6032  209.985   9.0028 -9.075317 10.60404 
1 1 1  -29    3   22 o  188.182   5.4583  2224.26  119.974  2168.64  142.974  2356.61  220.567  184.475   6.1030  191.890   9.0513 -7.414658 10.91662 
1 1 1  -29    3   23 o   45.576   12.565   13.736  100.016 -60.3793  116.363  223.347  195.689   30.790   13.921   60.362   20.921 -29.57208 25.12988 
1 1 1  -29    3   24 o  256.217   5.1593  4033.38  159.928  3699.80  194.846  4722.10  279.972  240.801   6.3717  271.632   8.1162 -30.83142 10.31852 
1 1 1  -29    3   25 f   83.808   12.833  467.899  122.234  460.619  143.127  487.516  234.957   84.164   13.391   83.452   21.896 0.7118454 25.66652 
1 1 1  -29    3   26 o  100.472   11.847  736.277  126.137  805.465  148.923  560.641  237.275  111.682   10.500   89.263   21.240 22.41897 23.69337 
1 1 1  -29    3   27 o   73.244   14.166  370.195  128.130  359.686  153.424  394.424  232.946   71.958   17.051   74.529   22.626 -2.571220 28.33162 
1 1 1  -29    3   28 f   91.383   13.493  557.063  139.522  519.584  163.097  659.330  269.416   88.232   14.556   94.534   22.723 -6.302612 26.98526 
1 1 1  -29    3   29 o   28.137   9.6181 -208.7223  103.350 -237.3251  159.252 -187.9109  135.841   28.921   14.014   27.354   13.177 1.567558 19.23621 
1 1 1  -29    3   30 f   27.961   13.675 -270.2393  161.715 -270.2393  161.715   0.0000   0.0000   27.961   13.675  ?   ?       ?      ? 
1 1 1  -29    3   31 o   36.820   12.358 -77.4703  123.600 -509.7128  351.504 -16.4851  132.032   39.602   19.526   34.038   15.152 5.563465 24.71517 
1 1 1  -29    3   32 o   35.201   15.922 -24.3441  152.402   0.0000   0.0000 -24.3441  152.402  ?   ?    35.201   15.922      ?      ? 
1 1 1  -29    5    1 o  165.923   4.4457  1753.72   92.675  1783.57  123.004  1714.54  140.944  167.566   5.7804  164.280   6.7559 3.286255 8.891302 
1 1 1  -29    5    2 f  298.580   3.7412  5660.96  141.527  5640.45  193.488  5684.57  207.549  298.001   5.1128  299.158   5.4631 -1.156952 7.482420 
1 1 1  -29    5    3 o  509.699   4.5852 16496.53  296.579 16320.99  410.812 16687.60  428.607  506.872   6.3821  512.526   6.5852 -5.653503 9.170389 
1 1 1  -29    5    4 o  102.271   6.9591  667.294   89.781  688.503  121.343  641.639  133.459  104.080   9.1806  100.461   10.461 3.619141 13.91815 
1 1 1  -29    5    5 o  156.546   5.0124  1560.59   99.261  1723.64  140.657  1398.83  140.096  164.715   6.7244  148.377   7.4350 16.33806 10.02481 
1 1 1  -29    5    6 f  437.233   5.8932 12143.97  327.222 12143.97  327.222   0.0000   0.0000  437.233   5.8932  ?   ?       ?      ? 
1 1 1  -29    5    7 o  332.048   4.1109  7007.96  172.023  7036.31  229.775  6971.80  259.478  332.822   5.4364  331.274   6.1679 1.548004 8.221759 
1 1 1  -29    5    8 o  271.405   5.9906  4679.73  206.474   0.0000   0.0000  4679.73  206.474  ?   ?   271.405   5.9906      ?      ? 
1 1 1  -29    5    9 o  103.418   7.3707  685.955   96.015  755.893  132.630  608.939  139.180  109.018   9.5800   97.819   11.204 11.19904 14.74137 
1 1 1  -29    5   10 o  398.446   4.2700 10078.77  215.401  9962.92  292.633 10215.77  318.219  395.961   5.8196  400.931   6.2500 -4.969299 8.539907 
1 1 1  -29    5   11 o  256.929   4.2534  4183.81  137.890  4093.93  183.954  4299.08  208.324  253.802   5.7074  260.057   6.3080 -6.254883 8.506788 
1 1 1  -29    5   12 o  197.957   4.7641  2494.07  119.670  2431.07  171.256  2554.18  167.291  195.505   6.8978  200.409   6.5732 -4.904251 9.528187 
1 1 1  -29    5   13 o  174.306   5.2597  1932.97  116.372  1909.68  161.741  1957.96  167.562  173.223   7.3525  175.390   7.5231 -2.166687 10.51934 
1 1 1  -29    5   14 o  305.610   4.3017  5961.36  166.354  6302.79  230.354  5589.21  240.494  314.814   5.7619  296.405   6.3891 18.40897 8.603474 
1 1 1  -29    5   15 o  212.725   4.8451  2878.25  130.663  2651.99  182.211  3117.77  187.471  204.112   7.0296  221.339   6.6696 -17.22739 9.690106 
1 1 1  -29    5   16 o   68.913   12.251  315.132  106.485  348.261  161.613  289.716  141.556   72.032   17.776   65.795   16.864 6.236992 24.50260 
1 1 1  -29    5   17 o   68.957   16.907  300.486  161.125  349.095  175.116   32.244  411.370   72.062   18.901   65.852   28.037 6.209930 33.81327 
1 1 1  -29    5   18 o  195.277   4.6875  2460.92  110.015  2533.64  136.361  2325.32  186.204  199.562   5.3806  190.991   7.6771 8.571136 9.374909 
1 1 1  -29    5   19 o   71.706   11.470  312.054   98.747  229.742  120.412  481.102  172.561   58.623   15.811   84.788   16.620 -26.16501 22.93981 
1 1 1  -29    5   20 o   37.174   11.046  -3.6379   94.793   80.840  114.872 -183.9569  167.827   41.590   15.784   32.759   15.457 8.831303 22.09193 
1 1 1  -29    5   21 o  234.226   4.9573  3511.31  136.738  3530.83  165.234  3468.89  243.562  235.469   5.5257  232.983   8.2321 2.486481 9.914647 
1 1 1  -29    5   22 o  142.020   6.3290  1324.69  108.488  1410.77  136.578  1177.52  178.585  148.641   7.2355  135.398   10.386 13.24257 12.65791 
1 1 1  -29    5   23 o   23.327   8.3969 -502.2626  109.016 -484.2814  131.275 -542.2180  195.686   19.776   10.038   26.879   13.464 -7.103035 16.79380 
1 1 1  -29    5   24 o   49.800   13.598  115.962  116.230  118.562  140.954  110.440  205.454   47.359   17.586   52.242   20.744 -4.883392 27.19509 
1 1 1  -29    5   25 o  133.932   7.7509  1091.10  125.848  947.555  152.878  1392.84  221.653  121.282   9.9259  146.583   11.907 -25.30090 15.50188 
1 1 1  -29    5   26 o   32.163   10.870 -209.6057  121.755 -174.8791  154.084 -267.3336  198.664   30.841   14.629   33.484   16.081 -2.643854 21.73928 
1 1 1  -29    5   27 o   66.411   14.238  318.845  133.725  382.845  169.391  212.979  217.859   73.627   18.216   59.196   21.887 14.43048 28.47583 
1 1 1  -29    5   28 o   50.731   13.686  142.485  118.169  134.746  146.151  157.097  200.818   48.078   17.897   53.384   20.712 -5.305676 27.37298 
1 1 1  -29    5   29 o   41.772   12.634   28.461  116.133   1.9177  147.904   71.138  187.540   37.728   16.440   45.815   19.188 -8.087326 25.26814 
1 1 1  -29    5   30 o   31.217   11.417 -462.0152  127.987 -338.2375  332.951 -483.4762  138.639   42.115   20.372   20.320   10.314 21.79461 22.83438 
1 1 1  -29    5   31 o   49.263   17.747  177.136  141.863   0.0000   0.0000  177.136  141.863  ?   ?    49.263   17.747      ?      ? 
1 1 1  -29    5   32 o   53.765   18.058  236.716  145.574   0.0000   0.0000  236.716  145.574  ?   ?    53.765   18.058      ?      ? 
1 1 1  -29    7    1 o  493.795   5.3916 15732.35  330.533 14279.90  511.205 16775.77  433.286  473.842   8.4954  513.748   6.6412 -39.90616 10.78319 
1 1 1  -29    7    3 o  467.314   4.4189 13888.31  262.045 14330.70  367.875 13432.63  373.360  474.883   6.1001  459.744   6.3949 15.13876 8.837745 
1 1 1  -29    7    4 o   31.159   9.9665 -65.8536   83.839 -59.6642  111.599 -73.8724  127.026   30.319   13.678   32.000   14.500 -1.680502 19.93296 
1 1 1  -29    7    5 o  228.018   4.0977  3303.12  117.976  3296.63  158.513  3311.18  176.641  227.776   5.4800  228.260   6.0938 -0.4833069 8.195360 
1 1 1  -29    7    6 f  173.030   4.5675  1892.65  100.061  1769.93  135.265  2040.95  148.704  166.871   6.3830  179.188   6.5348 -12.31680 9.134939 
1 1 1  -29    7    7 o  308.947   4.0354  6063.38  157.655  6036.28  213.151  6096.11  234.258  308.198   5.4460  309.697   5.9563 -1.498383 8.070754 
1 1 1  -29    7    8 o  305.855   4.0666  5942.22  156.476  5917.50  207.383  5974.90  238.432  305.138   5.3518  306.571   6.1243 -1.432861 8.133172 
1 1 1  -29    7    9 o  146.405   5.5604  1359.40  103.096  1304.96  139.693  1424.54  152.784  143.204   7.6814  149.606   8.0417 -6.402008 11.12084 
1 1 1  -29    7   10 o  233.602   4.3163  3458.24  127.643  3327.29  172.567  3616.44  189.671  228.746   5.9406  238.459   6.2634 -9.712753 8.632533 
1 1 1  -29    7   11 o  129.037   6.6535  1060.01  108.821  1038.92  148.736  1084.31  159.632  127.670   9.1738  130.403   9.6395 -2.733276 13.30707 
1 1 1  -29    7   12 o  337.266   4.2649  7260.75  182.003  7673.45  251.886  6809.89  263.274  347.361   5.7101  327.172   6.3366 20.18851 8.529814 
1 1 1  -29    7   13 o  196.928   4.4004  2463.66  100.030  2458.55  118.799  2476.11  185.424  196.658   4.7569  197.197   7.4044 -0.5381165 8.800714 
1 1 1  -29    7   14 o  182.602   5.0553  2140.29  111.460  2180.06  138.419  2066.96  187.973  185.117   5.8880  180.088   8.2193 5.028564 10.11065 
1 1 1  -29    7   15 o  158.041   5.2012  1515.34   99.460  1360.67  120.870  1839.69  175.035  146.201   6.5101  169.880   8.1134 -23.67908 10.40240 
1 1 1  -29    7   16 o   29.866   9.6958 -87.7306   84.345 -34.8794  105.906 -179.3941  139.473   30.825   13.653   28.906   13.770 1.919394 19.39169 
1 1 1  -29    7   17 o   90.237   8.6472  555.756   89.741  619.814  112.893  445.790  147.913   98.515   9.0237   81.960   14.754 16.55508 17.29444 
1 1 1  -29    7   18 o  117.642   7.1139  902.236   98.417  931.581  119.684  840.958  172.949  120.837   7.7993  114.448   11.900 6.389198 14.22785 
1 1 1  -29    7   19 o  122.928   7.1825  977.275  105.868  996.624  130.598  940.190  180.802  124.910   8.2331  120.947   11.772 3.963173 14.36499 
1 1 1  -29    7   20 o   88.337   10.118  522.491  104.531  543.872  130.228  483.763  175.268   91.981   11.149   84.694   16.888 7.287682 20.23620 
1 1 1  -29    7   21 f  107.965   8.1104  698.519  106.267  584.471  129.074  938.462  187.219   95.346   10.660  120.583   12.226 -25.23641 16.22076 
1 1 1  -29    7   22 o  285.406   5.5046  5042.22  196.267  4157.30  252.943  6381.12  311.132  254.943   7.8127  315.870   7.7564 -60.92723 11.00910 
1 1 1  -29    7   23 o   33.988   11.251 -207.2702  116.680 -304.1519  146.194 -37.2631  193.661   25.684   12.650   42.292   18.610 -16.60833 22.50219 
1 1 1  -29    7   24 o  131.966   8.1524  1186.19  124.732  1294.09  152.903  971.576  215.650  141.996   8.4794  121.936   13.927 20.06047 16.30481 
1 1 1  -29    7   25 o   52.059   13.594  115.943  120.704   26.099  152.524  266.505  197.447   40.936   17.233   63.181   21.029 -22.24556 27.18814 
1 1 1  -29    7   26 o   44.627   13.256   47.440  121.170   57.233  147.139   26.803  213.590   42.281   17.280   46.973   20.106 -4.692257 26.51139 
1 1 1  -29    7   27 o   60.859   13.848  207.569  123.051   94.321  150.501  435.926  213.713   45.025   17.793   76.692   21.224 -31.66714 27.69565 
1 1 1  -29    7   28 o   40.656   13.922 -230.3781  176.827 -396.7194  395.001 -188.6881  197.749   46.386   22.377   34.926   16.569 11.45982 27.84365 
1 1 1  -29    7   29 o  150.892   10.444  1372.73  207.059  4683.32  358.832 -279.8786  253.527  264.558   10.681   37.226   17.950 227.3322 20.88762 
1 1 1  -29    7   30 o   39.173   13.270 -179.8999  173.969 -186.8586  310.437 -176.7140  210.051   42.990   20.497   35.356   16.858 7.634235 26.53958 
1 1 1  -29    7   31 o   61.571   15.903  346.663  160.511  370.575  247.990  329.423  210.568   62.568   23.308   60.573   21.643 1.995007 31.80680 
1 1 1  -29    9    1 o  402.287   4.1910 10290.95  212.786 10279.84  285.429 10304.85  319.252  402.078   5.5900  402.496   6.2459 -0.4177551 8.382064 
1 1 1  -29    9    2 o  319.621   5.9843  6497.11  242.898   0.0000   0.0000  6497.11  242.898  ?   ?   319.621   5.9843      ?      ? 
1 1 1  -29    9    3 o  208.237   4.2213  2749.08  110.567  2696.81  145.964  2819.45  169.364  205.943   5.5811  210.531   6.3347 -4.588074 8.442595 
1 1 1  -29    9    4 o  286.004   4.2938  5179.92  150.695  5116.07  189.495  5289.78  248.554  283.676   5.2601  288.332   6.7881 -4.655914 8.587663 
1 1 1  -29    9    5 o  467.805   4.5931 13933.72  271.702 14048.43  368.466 13797.01  402.241  469.961   6.1739  465.650   6.8022 4.311005 9.186229 
1 1 1  -29    9    6 o  355.764   5.5336  8048.05  250.005  8048.05  250.005   0.0000   0.0000  355.764   5.5336  ?   ?       ?      ? 
1 1 1  -29    9    7 o   70.363   9.4292  405.897   70.995  499.094   83.690  166.687  134.080   88.541   7.4431   52.186   17.327 36.35427 18.85832 
1 1 1  -29    9    8 o  154.032   5.1359  1550.43   89.687  1602.94  106.285  1420.56  167.143  158.777   5.2711  149.288   8.8163 9.489014 10.27189 
1 1 1  -29    9    9 o  201.943   4.3921  2504.16  101.066  2397.50  117.907  2799.59  196.233  194.201   4.7809  209.686   7.3693 -15.48474 8.784286 
1 1 1  -29    9   10 o   98.938   7.2696  624.843   84.577  624.477  101.928  625.652  151.546   98.997   8.1076   98.879   12.069 0.1175995 14.53916 
1 1 1  -29    9   11 o  177.465   4.8295  2033.45   98.038  2072.06  116.359  1938.96  182.019  180.515   5.0759  174.416   8.2178 6.098846 9.658978 
1 1 1  -29    9   12 o  173.583   4.7393  1913.05   96.106  1904.85  115.090  1931.94  174.682  173.061   5.2367  174.104   7.9006 -1.043564 9.478553 
1 1 1  -29    9   13 o  143.960   5.1807  1310.04   89.496  1289.14  109.455  1352.19  155.453  142.320   6.0561  145.600   8.4073 -3.280228 10.36144 
1 1 1  -29    9   14 o  359.090   4.3805  8146.12  180.092  8064.83  212.294  8354.77  340.122  356.120   4.6942  362.060   7.3974 -5.939880 8.761090 
1 1 1  -29    9   15 o  155.477   5.5330  1623.78   99.296  1764.35  121.001  1333.93  173.755  166.492   5.7229  144.462   9.4712 22.02913 11.06595 
1 1 1  -29    9   16 o  245.673   4.4358  3933.01  127.305  4081.95  154.181  3613.92  225.669  253.312   4.7929  238.033   7.4655 15.27937 8.871583 
1 1 1  -29    9   17 o  169.876   5.4053  1870.56  109.943  1932.22  135.894  1753.73  187.054  174.149   6.1447  165.604   8.8944 8.544312 10.81058 
1 1 1  -29    9   18 o  114.844   7.4015  827.774  105.527  763.353  133.676  934.317  171.911  109.140   9.6448  120.548   11.230 -11.40779 14.80293 
1 1 1  -29    9   19 f  270.522   4.7569  4611.74  154.959  4491.97  189.792  4851.23  268.377  265.518   5.6287  275.525   7.6702 -10.00684 9.513864 
1 1 1  -29    9   20 o   45.146   19.758 -411.5376  118.756 -576.8508  142.263 -31.5589  215.684  ?   ?    45.146   19.758      ?      ? 
1 1 1  -29    9   21 f   26.031   9.2564 -449.3753  117.578 -472.8120  145.169 -404.6830  200.467   21.821   11.016   30.241   14.878 -8.419636 18.51271 
1 1 1  -29    9   22 o  115.591   8.5398  804.506  118.653  689.477  142.593  1063.44  213.941  103.339   10.866  127.843   13.178 -24.50384 17.07966 
1 1 1  -29    9   23 o   70.423   13.465  315.959  124.728  202.778  158.365  500.868  202.419   56.104   18.835   84.743   19.248 -28.63892 26.93022 
1 1 1  -29    9   24 o   76.663   13.034  401.418  124.298  337.083  161.581  494.678  194.541   69.374   18.137   83.952   18.724 -14.57731 26.06778 
1 1 1  -29    9   25 o   49.383   13.724   95.954  125.966   27.071  161.914  201.569  200.490   41.626   17.651   57.140   21.019 -15.51424 27.44775 
1 1 1  -29    9   26 o   46.056   15.429 -124.9871  163.630 -84.5757  430.664 -131.8052  176.896   57.204   26.216   34.909   16.277 22.29564 30.85859 
1 1 1  -29    9   27 o   39.076   18.683 -674.9451  159.207 -255.7038  261.671 -921.3577  200.611   39.076   18.683  ?   ?       ?      ? 
1 1 1  -29    9   28 o   36.069   12.110 -238.5088  156.051 -448.3571  223.678 -39.5129  217.818   30.423   15.103   41.715   18.935 -11.29177 24.22075 
1 1 1  -29    9   29 o   52.352   15.272  175.563  163.875  238.699  246.860  125.820  219.120   56.071   22.577   48.633   20.574 7.438232 30.54469 
1 1 1  -29    9   30 o   40.592   13.379 -116.8167  178.539 -364.4776  259.500  105.791  246.024   33.945   16.744   47.240   20.873 -13.29450 26.75879 
1 1 1  -29   11    1 o  190.105   4.0234  2274.12   86.864  2243.83  101.785  2355.30  166.647  187.882   4.2660  192.329   6.8230 -4.446930 8.046888 
1 1 1  -29   11    2 o  164.643   4.5010  1722.48   80.745  1719.76   92.792  1730.97  163.868  164.477   4.4425  164.809   7.8295 -0.3323975 9.002051 
1 1 1  -29   11    3 o  123.811   5.1967  959.419   75.528  932.989   90.303  1020.96  137.791  121.094   5.8722  126.528   8.5755 -5.434036 10.39335 
1 1 1  -29   11    4 o  246.458   4.0197  3896.57  110.995  3933.65  129.762  3795.49  214.270  248.774   4.1074  244.142   6.9110 4.632233 8.039442 
1 1 1  -29   11    5 o  127.072   5.1479  1022.24   76.679  1012.24   91.950  1045.06  138.943  126.135   5.7403  128.009   8.5471 -1.874168 10.29580 
1 1 1  -29   11    6 o  113.190   6.6224  891.076   83.664  1000.20  101.066  653.471  149.132  125.352   6.3489  101.027   11.624 24.32468 13.24482 
1 1 1  -29   11    7 o  255.507   4.1681  4156.63  119.528  4159.24  139.563  4149.44  231.540  255.788   4.2965  255.225   7.1437 0.5633850 8.336213 
1 1 1  -29   11    8 o  415.832   4.6398 10852.68  216.081 10680.65  250.997 11345.19  424.697  409.824   4.8227  421.840   7.9278 -12.01569 9.279510 
1 1 1  -29   11    9 o  274.011   4.2252  4778.27  134.564  4777.35  160.682  4780.42  246.225  274.100   4.6162  273.923   7.0783 0.1769714 8.450492 
1 1 1  -29   11   10 o   95.413   7.7237  554.816   87.078  511.044  103.674  659.654  160.448   89.452   9.1265  101.374   12.463 -11.92245 15.44748 
1 1 1  -29   11   11 o   98.957   7.4407  590.662   86.818  536.051  102.960  725.038  161.505   91.617   8.8494  106.297   11.964 -14.67990 14.88143 
1 1 1  -29   11   12 o   72.603   10.366  390.136   85.230  453.958  102.224  244.605  154.364   84.252   9.5542   60.953   18.400 23.29956 20.73232 
1 1 1  -29   11   13 o  145.657   5.8064  1357.08  100.893  1361.55  123.272  1348.03  175.597  146.163   6.6413  145.151   9.5262 1.011551 11.61270 
1 1 1  -29   11   14 o  115.794   6.9875  837.772   98.985  784.664  122.692  936.784  167.527  110.781   8.7212  120.807   10.920 -10.02643 13.97502 
1 1 1  -29   11   15 o  156.658   5.8540  1561.60  109.974  1546.85  134.640  1591.18  190.622  155.723   6.8084  157.593   9.5249 -1.870102 11.70798 
1 1 1  -29   11   16 o  242.543   4.7319  3842.14  131.992  3972.44  157.891  3539.80  240.516  249.792   4.9774  235.294   8.0493 14.49768 9.463875 
1 1 1  -29   11   17 o  122.841   7.7351  848.155  111.107  676.397  129.755  1320.21  215.112  102.631   9.9556  143.052   11.841 -40.42061 15.47023 
1 1 1  -29   11   18 o  476.739   5.2991 15325.08  302.898 19502.60  409.546 10280.74  450.035  553.040   5.8313  400.438   8.8498 152.6024 10.59828 
1 1 1  -29   11   19 o   75.794   12.457  349.232  118.595  201.984  147.264  620.949  200.046   55.824   18.141   95.763   17.076 -39.93868 24.91356 
1 1 1  -29   11   20 o  111.149   9.4141  806.813  124.225  810.742  151.338  798.697  217.497  112.074   10.633  110.224   15.538 1.849373 18.82815 
1 1 1  -29   11   21 o  126.999   8.4829  1141.70  122.257  1317.88  151.086  807.554  208.077  143.240   8.3059  110.758   14.794 32.48128 16.96571 
1 1 1  -29   11   22 o  111.317   9.0237  846.935  119.433  934.530  150.268  696.694  196.799  120.173   9.8465  102.461   15.125 17.71217 18.04747 
1 1 1  -29   11   23 o   45.997   13.836 -44.3652  161.695 -368.9432  256.647  169.273  208.217   36.765   17.809   55.228   21.180 -18.46331 27.67234 
1 1 1  -29   11   24 o   62.203   15.917  272.355  164.665   7.9457  349.424  347.835  186.694   55.531   24.688   68.876   20.098 -13.34477 31.83488 
1 1 1  -29   11   25 o   61.766   13.280  261.921  155.513 -258.2594  272.896  512.085  189.249   40.188   19.177   83.344   18.375 -43.15569 26.55941 
1 1 1  -29   11   26 o  117.469   16.171   25.826  176.573  983.133  241.233 -1078.9871  259.153  117.469   16.171  ?   ?       ?      ? 
1 1 1  -29   11   27 o   41.357   13.463 -52.8357  159.726 -98.3693  262.162 -25.9555  201.428   42.395   19.784   40.318   18.265 2.077019 26.92602 
1 1 1  -29   11   28 o   48.015   14.375  134.628  150.636  111.247  236.435  150.604  195.436   47.819   20.813   48.211   19.834 -0.3918839 28.75020 
1 1 1  -29   13    1 o  116.613   5.7702  831.904   78.277  782.188   92.330  958.959  147.601  110.791   6.5623  122.435   9.4931 -11.64346 11.54049 
1 1 1  -29   13    2 o  258.186   4.1066  4211.81  120.033  4172.99  140.528  4316.52  230.828  256.163   4.3198  260.209   6.9854 -4.045837 8.213193 
1 1 1  -29   13    3 o  162.471   4.9216  1704.30   91.744  1734.19  109.074  1632.03  169.630  165.079   5.2030  159.863   8.3556 5.216431 9.843144 
1 1 1  -29   13    4 o  212.110   4.2073  2778.23  104.368  2651.53  123.937  3087.17  193.524  204.157   4.7803  220.063   6.9249 -15.90628 8.414578 
1 1 1  -29   13    5 o  211.108   4.2637  2829.19  106.195  2813.58  128.158  2863.39  189.704  210.299   4.7988  211.917   7.0491 -1.617371 8.527471 
1 1 1  -29   13    6 o  251.599   4.1984  4085.49  120.721  4158.08  143.154  3906.77  224.617  255.689   4.4087  247.509   7.1462 8.180649 8.396723 
1 1 1  -29   13    7 o  197.668   4.6729  2460.80  106.437  2420.89  125.836  2561.15  199.530  195.039   5.0805  200.297   7.8443 -5.257446 9.345857 
1 1 1  -29   13    8 o   31.280   9.7738 -38.9468   78.440   25.284   93.043 -196.7627  145.844   33.433   13.712   29.126   13.932 4.307512 19.54760 
1 1 1  -29   13    9 o  153.480   6.1731  1493.80  119.632  1737.96  177.749  1291.61  161.751  164.878   8.4892  142.083   8.9646 22.79604 12.34624 
1 1 1  -29   13   10 o  100.955   7.4138  640.302   89.268  615.077  107.995  694.717  158.617   98.055   8.6727  103.855   12.027 -5.799461 14.82752 
1 1 1  -29   13   11 o  180.112   4.9627  2019.31  107.013  1923.99  129.708  2222.49  189.377  173.758   5.8782  186.466   7.9974 -12.70786 9.925303 
1 1 1  -29   13   12 o  169.397   5.1266  1824.12  102.953  1809.20  124.705  1856.05  182.441  168.486   5.8283  170.309   8.4355 -1.822876 10.25311 
1 1 1  -29   13   13 o   28.226   9.6940 -200.6071   83.890 -230.6156   96.091 -104.4383  172.020   19.953   9.9042   36.498   16.667 -16.54440 19.38805 
1 1 1  -29   13   14 o  424.371   8.6609 11538.33  466.750   0.0000   0.0000 11538.33  466.750  ?   ?   424.371   8.6609      ?      ? 
1 1 1  -29   13   15 o  105.378   9.0899  668.940  112.017  597.709  131.732  854.933  212.867   96.301   10.772  114.456   14.645 -18.15508 18.17989 
1 1 1  -29   13   16 o  141.147   6.7641  1280.83  114.372  1280.96  140.255  1280.57  197.599  141.448   7.8081  140.846   11.047 0.6018982 13.52818 
1 1 1  -29   13   17 o   65.150   12.965  281.689  108.360  254.257  135.100  331.164  181.436   61.038   16.868   69.263   19.694 -8.225628 25.93029 
1 1 1  -29   13   18 o  154.298   6.7191  1516.65  126.852  1470.14  158.294  1600.14  212.064  151.313   8.2378  157.284   10.617 -5.970993 13.43813 
1 1 1  -29   13   19 o   67.406   13.364  323.391  120.815  379.222  158.924  246.951  185.959   73.844   17.257   60.968   20.410 12.87574 26.72839 
1 1 1  -29   13   20 o   53.921   13.773  179.042  119.745  199.726  150.747  143.674  197.122   54.952   18.377   52.890   20.521 2.061954 27.54634 
1 1 1  -29   13   21 o   60.105   15.848  141.826  157.279  440.770  291.903   19.536  186.697   76.637   25.572   43.572   18.728 33.06557 31.69643 
1 1 1  -29   13   22 o   66.057   15.254  335.488  158.160  113.165  285.392  434.032  190.006   55.489   23.477   76.624   19.483 -21.13488 30.50830 
1 1 1  -29   13   23 o   36.162   12.212 -295.6064  165.663 -76.7151  221.711 -572.2991  249.271   41.298   18.884   31.026   15.489 10.27219 24.42345 
1 1 1  -29   13   24 o   30.685   15.313 -829.3712  175.488 -1150.3430  254.089 -536.6265  242.660  ?   ?    30.685   15.313      ?      ? 
1 1 1  -29   13   25 o   39.842   13.205 -97.3122  152.492 -51.3014  278.681 -116.9767  182.188   44.990   20.788   34.694   16.288 10.29565 26.40910 
1 1 1  -29   13   26 o   71.602   15.989  444.519  162.714  634.106  260.231  322.818  208.498   82.548   23.626   60.655   21.550 21.89335 31.97790 
1 1 1  -29   15    1 o  241.003   4.8116  3632.22  130.688  3546.74  152.104  3873.29  255.434  235.986   5.0755  246.020   8.1758 -10.03474 9.623105 
1 1 1  -29   15    2 o  103.670   8.8972  675.544  109.574  642.039  131.832  750.409  197.063   99.928   10.389  107.411   14.447 -7.482529 17.79440 
1 1 1  -29   15    3 o   70.440   12.462  322.802   99.366  309.503  114.048  364.707  202.449   67.921   13.695   72.958   20.824 -5.036819 24.92336 
1 1 1  -29   15    4 o   30.642   10.392 -170.0238   97.712 -168.6621  113.352 -173.9621  192.777   25.045   12.058   36.238   16.929 -11.19340 20.78437 
1 1 1  -29   15    5 o  101.116   8.2800  644.087   99.824  615.999  120.647  705.055  177.749   97.955   9.6986  104.276   13.423 -6.321030 16.56004 
1 1 1  -29   15    6 o  216.878   4.9254  2912.77  127.586  2749.31  154.017  3270.27  227.767  207.660   5.8403  226.094   7.9327 -18.43417 9.850778 
1 1 1  -29   15    7 o  438.834   5.3285 12537.84  290.503 15158.08  404.951  9759.63  416.979  487.312   6.5436  390.356   8.4116 96.95636 10.65707 
1 1 1  -29   15    8 o   77.546   19.973  415.938  197.893   0.0000   0.0000  415.938  197.893  ?   ?    77.546   19.973      ?      ? 
1 1 1  -29   15    9 o  205.812   5.0385  2555.76  121.150  2345.09  142.810  3096.57  228.814  191.750   5.8647  219.875   8.1946 -28.12486 10.07702 
1 1 1  -29   15   10 o  147.723   6.2039  1342.07  106.570  1262.86  125.707  1544.44  200.933  140.563   7.0422  154.884   10.216 -14.32140 12.40777 
1 1 1  -29   15   11 o   73.295   11.016  317.867   94.668  226.451  113.023  532.779  173.294   57.759   15.202   88.830   15.948 -31.07171 22.03249 
1 1 1  -29   15   12 o   50.975   12.505  127.275  100.776   48.747  127.075  260.371  165.436   39.805   16.138   62.145   19.107 -22.33996 25.01023 
1 1 1  -29   15   13 o  188.807   5.3505  2253.28  123.650  2173.40  154.184  2397.25  206.989  184.385   6.5847  193.230   8.4352 -8.845062 10.70097 
1 1 1  -29   15   14 o  142.604   6.8704  1326.28  119.780  1367.97  151.703  1257.27  195.191  145.942   8.1853  139.266   11.037 6.675842 13.74074 
1 1 1  -29   15   15 o  167.784   6.1105  1841.90  124.734  1923.02  157.552  1705.65  204.178  173.182   7.1638  162.386   9.9011 10.79607 12.22092 
1 1 1  -29   15   16 o  155.572   6.4323  1614.85  119.452  1734.58  149.203  1401.11  199.354  164.384   7.1472  146.760   10.696 17.62483 12.86460 
1 1 1  -29   15   17 o   80.057   11.723  450.092  114.146  477.539  145.799  406.628  183.470   84.822   13.535   75.292   19.145 9.530838 23.44668 
1 1 1  -29   15   18 o   69.370   13.848  321.366  136.595  550.198  209.382  151.818  180.230   87.048   19.433   51.691   19.734 35.35651 27.69574 
1 1 1  -29   15   19 o  109.122   11.451  860.453  143.630  733.028  238.930  932.555  179.730   99.921   19.530  118.323   11.961 -18.40274 22.90133 
1 1 1  -29   15   20 o   25.692   12.907 -738.8649  136.924 -507.3805  186.396 -1010.1890  201.799   25.692   12.907  ?   ?       ?      ? 
1 1 1  -29   15   21 o   31.402   10.948 -387.0601  154.403 -409.2083  208.190 -359.9856  230.181   29.748   14.733   33.055   16.198 -3.307161 21.89609 
1 1 1  -29   15   22 o   74.278   14.323  490.643  155.432  216.533  259.155  644.642  194.247   56.080   22.928   92.476   17.173 -36.39607 28.64617 
1 1 1  -29   15   23 o   67.954   14.603  422.658  149.903  224.063  260.271  521.235  183.371   54.990   22.781   80.917   18.276 -25.92683 29.20625 
1 1 1  -29   15   24 o   37.368   12.464 -117.4098  158.245 -308.5082  259.868  -4.7851  199.499   35.104   17.204   39.632   18.041 -4.528259 24.92864 
1 1 1  -29   17    1 o  130.097   6.9483  1124.40  104.548  1174.44  126.053  1014.11  187.138  135.355   7.3334  124.839   11.804 10.51527 13.89659 
1 1 1  -29   17    2 o  165.478   6.2874  1750.80  132.127  1750.80  132.127   0.0000   0.0000  165.478   6.2874  ?   ?       ?      ? 
1 1 1  -29   17    3 f   65.072   11.710  306.174   96.968  355.727  121.024  217.322  162.059   72.595   13.628   57.549   19.047 15.04587 23.42029 
1 1 1  -29   17    4 o  248.502   4.6540  3875.31  138.417  3732.38  168.084  4176.47  243.983  241.810   5.4736  255.194   7.5286 -13.38380 9.308058 
1 1 1  -29   17    5 f  160.654   5.9223  1666.97  115.038  1684.78  142.864  1634.12  194.006  162.193   6.9361  159.114   9.6013 3.079391 11.84455 
1 1 1  -29   17    6 f   85.432   10.417  467.130  108.211  397.439  135.752  588.583  179.210   76.510   14.503   94.354   14.956 -17.84473 20.83301 
1 1 1  -29   17    7 o  134.112   7.0510  1130.85  108.574  1088.92  127.546  1241.21  206.903  130.223   7.7126  138.001   11.806 -7.778595 14.10204 
1 1 1  -29   17    8 o  120.710   7.8009  921.255  110.025  882.622  130.783  1014.82  203.527  117.012   8.8012  124.408   12.882 -7.395638 15.60184 
1 1 1  -29   17    9 o   73.868   12.229  387.052  109.128  405.578  135.093  352.260  185.133   77.206   14.305   70.529   19.838 6.676094 24.45783 
1 1 1  -29   17   10 o   47.188   12.940  108.446  106.386  106.797  130.602  111.698  183.408   44.790   16.870   49.585   19.627 -4.794548 25.88084 
1 1 1  -29   17   11 o   88.857   11.208  623.040  110.780  786.745  138.056  327.042  185.638  110.024   9.8807   67.690   20.120 42.33337 22.41543 
1 1 1  -29   17   12 o   82.883   10.956  479.608  107.288  501.084  134.139  441.472  178.745   87.158   12.119   78.607   18.256 8.550552 21.91204 
1 1 1  -29   17   13 o   40.549   12.381 -32.6096  110.188 -99.8057  132.381  118.945  198.810   30.549   14.190   50.550   20.293 -20.00134 24.76222 
1 1 1  -29   17   14 o  149.471   6.5816  1406.80  119.800  1286.20  147.140  1643.98  206.342  140.762   8.2313  158.180   10.272 -17.41792 13.16320 
1 1 1  -29   17   15 o  117.472   9.0711  898.403  132.993  740.152  170.839  1141.82  211.880  104.785   12.838  130.160   12.818 -25.37468 18.14215 
1 1 1  -29   17   16 o   35.806   12.064 -241.0441  146.941 -357.5042  189.577 -65.7863  232.560   29.046   14.325   42.567   19.416 -13.52064 24.12820 
1 1 1  -29   17   17 o   30.510   15.173 -775.2619  143.581 -963.6782  183.870 -480.8318  229.849  ?   ?    30.510   15.173      ?      ? 
1 1 1  -29   17   18 o   39.403   12.362  -8.5516  124.743 -69.0055  175.148   53.681  177.706   36.157   16.625   42.649   18.299 -6.492531 24.72365 
1 1 1  -29   17   19 o   43.882   13.447   65.890  135.617   29.000  227.099   86.337  169.075   44.343   19.796   43.422   18.204 0.9213829 26.89351 
1 1 1  -29   17   20 o   39.949   12.886 -16.6622  140.894   7.3626  227.657 -31.5771  179.374   42.636   19.355   37.263   17.018 5.373596 25.77294 
1 1 1  -29   19    1 o  138.368   7.4078  1087.84  114.809  915.552  130.512  1677.36  241.415  118.421   8.6785  158.315   12.008 -39.89396 14.81568 
1 1 1  -29   19    2 o  125.762   9.2291  937.612  118.369  857.855  130.556  1305.98  280.575  114.542   8.9754  136.982   16.129 -22.44052 18.45814 
1 1 1  -29   19    3 o  110.179   11.276  845.912  114.266  844.182  125.965  853.950  271.503  113.722   8.7223  106.635   20.796 7.086388 22.55114 
1 1 1  -29   19    4 o   67.247   14.035  279.715  107.196  234.715  119.180  470.326  245.285   57.214   15.855   77.281   23.164 -20.06768 28.07008 
1 1 1  -29   19    5 o   63.730   13.146  234.917  103.003  157.458  118.205  479.288  209.955   48.192   16.272   79.268   20.650 -31.07663 26.29103 
1 1 1  -29   19    6 o  202.653   6.5146  2578.97  147.833  2457.01  170.774  2943.62  295.300  194.921   6.8990  210.385   11.053 -15.46420 13.02921 
1 1 1  -29   19    7 o   75.607   14.201  396.880  116.282  371.905  128.900  506.041  269.486   72.483   14.510   78.730   24.416 -6.246933 28.40224 
1 1 1  -29   19    8 o   30.056   15.217 -824.0243  118.874 -811.9279  130.418 -883.4212  288.996  ?   ?    30.056   15.217      ?      ? 
1 1 1  -29   19    9 o  275.980   5.8197  4904.88  165.575  4851.08  185.875  5111.61  364.367  274.693   5.3284  277.267   10.348 -2.574768 11.63942 
1 1 1  -29   19   10 o  134.731   12.642  1783.73  155.027  2539.57  193.642  434.528  258.715  197.254   7.7303   72.207   24.074 125.0464 25.28440 
1 1 1  -29   19   11 o   40.475   12.567 -144.6727  110.674 -256.0944  125.748  238.297  233.130   23.360   11.548   57.591   22.324 -34.23177 25.13382 
1 1 1  -29   19   12 o   48.616   13.301  140.689  125.884  236.810  163.391   0.2998  197.463   55.776   19.129   41.457   18.487 14.31934 26.60228 
1 1 1  -29   19   13 o   85.035   13.276  546.549  139.001  749.753  219.687  410.891  179.500   98.569   18.222   71.501   19.313 27.06799 26.55242 
1 1 1  -29   19   14 o   81.017   14.168  555.344  148.549  416.117  218.724  674.549  202.387   68.891   22.082   93.142   17.758 -24.25185 28.33682 
1 1 1  -29   19   15 o   49.490   14.389  165.185  144.607  161.031  221.023  168.295  191.210   49.781   20.838   49.200   19.849 0.5809555 28.77860 
1 1 1  -29   19   16 o   38.148   12.645 -105.6935  153.921   36.429  232.303 -216.9179  205.506   43.494   19.667   32.802   15.901 10.69193 25.29093 
1 1 1  -29   21    1 o   51.995   18.291  217.613  149.834  217.613  149.834   0.0000   0.0000   51.995   18.291  ?   ?       ?      ? 
1 1 1  -29   21    2 o   31.413   14.530 -60.2763  136.666 -60.2763  136.666   0.0000   0.0000   31.413   14.530  ?   ?       ?      ? 
1 1 1  -29   21    3 o   42.577   16.979  113.280  138.190  113.280  138.190   0.0000   0.0000   42.577   16.979  ?   ?       ?      ? 
1 1 1  -29   21    4 o   51.083   17.352  206.655  134.416  206.655  134.416   0.0000   0.0000   51.083   17.352  ?   ?       ?      ? 
1 1 1  -29   21    5 o   31.546   14.677 -70.9669  142.556 -70.9669  142.556   0.0000   0.0000   31.546   14.677  ?   ?       ?      ? 
1 1 1  -29   21    6 o   72.289   17.433  422.910  158.183  422.910  158.183   0.0000   0.0000   72.289   17.433  ?   ?       ?      ? 
1 1 1  -29   21    7 o   30.157   14.540 -173.0421  166.237 -173.0421  166.237   0.0000   0.0000   30.157   14.540  ?   ?       ?      ? 
1 1 1  -28    0    1 o  565.631   4.8929 20328.50  496.878 20328.50  496.878 20328.50  496.878  565.631   6.9197  565.631   6.9197 -0.000000 0.000000 
1 1 1  -28    0    2 o  806.682   6.5394 41351.66  947.124 41351.66  947.124 41351.66  947.124  806.682   9.2482  806.682   9.2482 -0.000000 0.000000 
1 1 1  -28    0    3 o  696.458   5.7826 30821.19  723.068 30821.19  723.068 30821.19  723.068  696.458   8.1779  696.458   8.1779 -0.000000 0.000000 
1 1 1  -28    0    4 o  478.043   4.4620 14520.72  382.932 14520.72  382.932 14520.72  382.932  478.043   6.3103  478.043   6.3103 -0.000000 0.000000 
1 1 1  -28    0    5 o  403.114   4.1427 10326.38  299.773 10326.38  299.773 10326.38  299.773  403.114   5.8586  403.114   5.8586 -0.000000 0.000000 
1 1 1  -28    0    6 o  201.028   4.9254  2575.83  177.340  2575.83  177.340  2575.83  177.340  201.028   6.9656  201.028   6.9656 -0.000000 0.000000 
1 1 1  -28    0    7 f  119.104   7.0423  919.909  148.213  919.909  148.213  919.909  148.213  119.104   9.9592  119.104   9.9592 -0.000000 0.000000 
1 1 1  -28    0    8 o  178.574   5.1660  2035.46  165.049  2035.46  165.049  2035.46  165.049  178.574   7.3059  178.574   7.3059 -0.000000 0.000000 
1 1 1  -28    0    9 o  171.307   5.6682  1876.17  173.516  1876.17  173.516  1876.17  173.516  171.307   8.0160  171.307   8.0160 -0.000000 0.000000 
1 1 1  -28    0   10 o  315.716   4.1262  6336.69  233.781  6336.69  233.781  6336.69  233.781  315.716   5.8354  315.716   5.8354 -0.000000 0.000000 
1 1 1  -28    0   11 o  279.703   4.3020  4975.64  215.873  4975.64  215.873  4975.64  215.873  279.703   6.0840  279.703   6.0840 -0.000000 0.000000 
1 1 1  -28    0   13 o  199.660   4.9987  2541.80  178.734  2541.80  178.734  2541.80  178.734  199.660   7.0693  199.660   7.0693 -0.000000 0.000000 
1 1 1  -28    0   14 o  306.706   4.1987  5982.22  231.081  5982.22  231.081  5982.22  231.081  306.706   5.9379  306.706   5.9379 -0.000000 0.000000 
1 1 1  -28    0   15 o   29.811   13.261   26.995  149.180   26.995  149.180   26.995  149.180   29.811   18.754   29.811   18.754 -0.000000 0.000000 
1 1 1  -28    0   16 o   28.937   13.142   4.4608  155.711   4.4608  155.711   4.4608  155.711   28.937   18.586   28.937   18.586 -0.000000 0.000000 
1 1 1  -28    0   17 o   22.728   11.198 -154.2170  164.687 -154.2170  164.687 -154.2170  164.687   22.728   15.837   22.728   15.837 -0.000000 0.000000 
1 1 1  -28    0   18 o  123.184   8.2746  992.704  179.264  992.704  179.264  992.704  179.264  123.184   11.702  123.184   11.702 -0.000000 0.000000 
1 1 1  -28    0   19 o   42.917   16.765  164.563  188.540  164.563  188.540  164.563  188.540   42.917   23.709   42.917   23.709 -0.000000 0.000000 
1 1 1  -28    0   20 o   41.653   16.382  153.701  181.404  153.701  181.404  153.701  181.404   41.653   23.168   41.653   23.168 -0.000000 0.000000 
1 1 1  -28    0   21 o  137.797   8.6464  1240.37  210.102  1240.37  210.102  1240.37  210.102  137.797   12.228  137.797   12.228 -0.000000 0.000000 
1 1 1  -28    0   22 o   81.888   28.703  669.354  509.049  669.354  509.049  669.354  509.049   81.888   40.592   81.888   40.592 -0.000000 0.000000 
1 1 1  -28    0   23 o   98.255   13.100  682.816  207.164  682.816  207.164  682.816  207.164   98.255   18.526   98.255   18.526 -0.000000 0.000000 
1 1 1  -28    0   24 o   69.681   16.521  404.312  184.535  404.312  184.535  404.312  184.535   69.681   23.364   69.681   23.364 -0.000000 0.000000 
1 1 1  -28    0   26 o  185.225   4.9381  2194.99  163.738  2194.99  163.738  2194.99  163.738  185.225   6.9835  185.225   6.9835 -0.000000 0.000000 
1 1 1  -28    0   27 o   45.795   15.565  202.603  147.999  202.603  147.999  202.603  147.999   45.795   22.013   45.795   22.013 -0.000000 0.000000 
1 1 1  -28    0   28 o   38.347   15.158  135.186  156.192  135.186  156.192  135.186  156.192   38.347   21.437   38.347   21.437 -0.000000 0.000000 
1 1 1  -28    0   29 o  104.490   8.8891  736.182  160.415  736.182  160.415  736.182  160.415  104.490   12.571  104.490   12.571 -0.000000 0.000000 
1 1 1  -28    0   30 o   15.363   7.9550 -347.5360  139.857 -347.5360  139.857 -347.5360  139.857   15.363   11.250   15.363   11.250 -0.000000 0.000000 
1 1 1  -28    0   32 o   29.014   12.926   46.621  142.335   46.621  142.335   46.621  142.335   29.014   18.280   29.014   18.280 -0.000000 0.000000 
1 1 1  -28    0   33 o   30.353   13.497   62.740  154.345   62.740  154.345   62.740  154.345   30.353   19.087   30.353   19.087 -0.000000 0.000000 
1 1 1  -28    2    1 o  1003.19   7.9724 63923.57  1015.03 65506.18  1467.11 62470.48  1405.80  1015.08   11.381  991.303   11.167 23.77667 15.94470 
1 1 1  -28    2    3 o  716.524   5.9219 32619.17  538.825 32467.21  757.433 32774.86  766.677  714.836   8.3437  718.211   8.4059 -3.375427 11.84383 
1 1 1  -28    2    4 o  392.799   5.6883  9799.92  283.747  9799.92  283.747   0.0000   0.0000  392.799   5.6883  ?   ?       ?      ? 
1 1 1  -28    2    5 o  518.548   6.6093 17080.76  435.234 17080.76  435.234   0.0000   0.0000  518.548   6.6093  ?   ?       ?      ? 
1 1 1  -28    2    6 o  292.231   4.0488  5425.13  150.188  5456.80  209.620  5391.73  215.290  293.109   5.6315  291.353   5.8187 1.756042 8.097618 
1 1 1  -28    2    7 f  275.985   5.8883  4837.96  206.374  4837.96  206.374   0.0000   0.0000  275.985   5.8883  ?   ?       ?      ? 
1 1 1  -28    2    8 o  401.988   4.2059 10263.59  214.604 10245.93  298.758 10282.42  308.466  401.633   5.8575  402.343   6.0372 -0.7103882 8.411756 
1 1 1  -28    2    9 o  309.132   4.0913  6073.12  160.522  6195.52  224.754  5945.67  229.341  312.316   5.6668  305.949   5.9028 6.366547 8.182595 
1 1 1  -28    2   10 o  381.128   4.1688  9228.25  201.739  9346.28  284.069  9108.15  286.551  383.589   5.8315  378.668   5.9589 4.921143 8.337551 
1 1 1  -28    2   11 o  415.034   4.3252 10925.28  227.670 10628.04  312.598 11261.05  332.247  409.034   6.0180  421.033   6.2139 -11.99890 8.650373 
1 1 1  -28    2   12 o  174.953   5.4129  1940.42  119.820  1997.98  178.304  1893.03  161.798  177.308   7.9187  172.598   7.3818 4.709457 10.82576 
1 1 1  -28    2   13 o  306.211   4.3160  5957.80  167.830  5892.14  236.721  6024.15  237.978  304.514   6.1214  307.908   6.0861 -3.393585 8.632037 
1 1 1  -28    2   14 o  215.262   4.9379  2945.88  134.866  2939.26  186.736  2953.09  194.990  215.015   6.8388  215.509   7.1247 -0.4938812 9.875782 
1 1 1  -28    2   15 o  397.651   4.4505 10034.17  224.182  9777.91  304.844 10335.98  330.832  392.149   6.1214  403.153   6.4619 -11.00409 8.900974 
1 1 1  -28    2   16 o  110.653   8.7041  773.325  121.437  661.094  162.670  914.606  182.512  101.675   12.598  119.630   12.014 -17.95483 17.40816 
1 1 1  -28    2   17 o   56.947   13.693  193.620  118.444  173.777  163.834  215.349  171.436   54.805   19.135   59.088   19.592 -4.282906 27.38562 
1 1 1  -28    2   18 o   69.555   13.834  322.502  127.400  307.613  182.710  336.591  177.735   68.187   19.879   70.924   19.244 -2.736404 27.66724 
1 1 1  -28    2   19 o   70.659   13.453  335.678  123.362  318.943  181.220  350.129  168.405   69.167   19.688   72.151   18.340 -2.983643 26.90657 
1 1 1  -28    2   20 o  127.331   16.027  1010.94  184.856  977.963  200.474  1198.17  477.698  123.422   12.791  131.241   29.393 -7.819069 32.05499 
1 1 1  -28    2   21 o   95.297   11.650  596.440  137.902  642.269  198.587  553.760  191.643   99.642   15.694   90.952   17.223 8.690453 23.30072 
1 1 1  -28    2   22 o   86.761   10.744  502.954  100.885  510.364  117.606  482.312  196.294   89.234   10.378   84.288   18.815 4.945999 21.48751 
1 1 1  -28    2   23 o   44.204   12.737   63.681  104.869   90.797  121.458 -15.7438  207.868   43.147   16.265   45.260   19.607 -2.112694 25.47495 
1 1 1  -28    2   24 o   43.955   14.310 -122.1349  157.015 -145.4367  321.042 -114.8088  180.013   50.839   23.042   37.071   16.975 13.76768 28.61982 
1 1 1  -28    2   25 o  319.586   8.9457  6551.45  363.061   0.0000   0.0000  6551.45  363.061  ?   ?   319.586   8.9457      ?      ? 
1 1 1  -28    2   26 o   58.714   14.430  196.439  116.079  178.013  132.391  257.696  241.393   52.605   17.206   64.823   23.171 -12.21765 28.86098 
1 1 1  -28    2   27 o   39.109   11.540   3.5108  102.161 -113.5000  152.767   98.173  137.405   33.249   15.373   44.968   17.215 -11.71843 23.08038 
1 1 1  -28    2   28 o   72.899   11.945  371.504  108.085  357.844  161.131  382.679  145.737   71.388   17.827   74.411   15.905 -3.022896 23.89091 
1 1 1  -28    2   29 o   66.205   12.018  304.065  102.323  394.339  154.502  233.535  136.566   74.702   16.705   57.707   17.281 16.99511 24.03531 
1 1 1  -28    2   30 o   61.522   15.907  272.081  125.193   0.0000   0.0000  272.081  125.193  ?   ?    61.522   15.907      ?      ? 
1 1 1  -28    2   31 f   24.537   8.7090 -428.7721  114.399 -331.9218  169.564 -509.6854  154.987   27.170   13.427   21.903   11.095 5.266277 17.41807 
1 1 1  -28    2   32 o   33.047   10.524 -141.2921  105.614 -365.9801  147.917   92.391  150.849   23.451   11.741   42.643   17.470 -19.19245 21.04899 
1 1 1  -28    2   33 o   27.637   13.482 -214.1063  154.339   0.0000   0.0000 -214.1063  154.339  ?   ?    27.637   13.482      ?      ? 
1 1 1  -28    4    1 o  525.795   4.6485 17553.76  310.315 18084.74  443.864 17046.11  434.005  533.570   6.5506  518.020   6.5974 15.54999 9.297070 
1 1 1  -28    4    2 o  540.040   4.7405 18526.52  325.062 18542.06  456.022 18510.46  463.482  540.272   6.6465  539.807   6.7611 0.4644775 9.480971 
1 1 1  -28    4    3 o  604.650   7.2431 23226.10  556.166 23226.10  556.166   0.0000   0.0000  604.650   7.2431  ?   ?       ?      ? 
1 1 1  -28    4    4 o  875.509   9.9548 48717.62  1106.80 48717.62  1106.80   0.0000   0.0000  875.509   9.9548  ?   ?       ?      ? 
1 1 1  -28    4    5 o  389.290   5.6720  9625.70  280.408  9625.70  280.408   0.0000   0.0000  389.290   5.6720  ?   ?       ?      ? 
1 1 1  -28    4    6 f  148.599   5.4763  1402.74  103.166  1399.45  141.732  1406.46  150.457  148.416   7.5198  148.782   7.9631 -0.3657684 10.95259 
1 1 1  -28    4    7 o  171.223   5.1722  1870.72  111.941  1979.56  154.104  1749.13  162.876  176.524   6.8744  165.922   7.7299 10.60268 10.34449 
1 1 1  -28    4    8 o  422.987   5.9891 11365.00  321.713 11365.00  321.713   0.0000   0.0000  422.987   5.9891  ?   ?       ?      ? 
1 1 1  -28    4    9 o  526.320   6.6946 17598.26  447.459 17598.26  447.459   0.0000   0.0000  526.320   6.6946  ?   ?       ?      ? 
1 1 1  -28    4   10 o  393.691   4.2300  9847.49  211.259 10448.57  300.659  9261.32  296.908  405.564   5.8376  381.819   6.1233 23.74478 8.460086 
1 1 1  -28    4   11 o  299.325   4.1366  5693.03  157.202  5747.63  220.608  5636.70  224.067  300.785   5.7755  297.864   5.9236 2.920837 8.273130 
1 1 1  -28    4   12 o  223.410   4.6030  3177.62  130.324  3283.84  180.565  3062.13  188.289  227.321   6.2548  219.499   6.7549 7.822739 9.206033 
1 1 1  -28    4   13 o  288.383   4.2434  5277.24  154.802  5190.59  209.118  5382.30  230.250  285.780   5.7621  290.987   6.2309 -5.206665 8.486798 
1 1 1  -28    4   14 o  192.618   4.9321  2357.65  120.555  2489.46  173.317  2234.09  167.799  197.833   6.8987  187.404   7.0507 10.42877 9.864288 
1 1 1  -28    4   15 o  164.010   5.9694  1713.90  124.202  1814.80  176.519  1614.97  174.790  168.805   8.2344  159.215   8.6448 9.589355 11.93886 
1 1 1  -28    4   16 o  268.063   4.5261  4574.95  153.887  4642.30  213.340  4501.89  222.187  270.136   6.2189  265.990   6.5777 4.146332 9.052121 
1 1 1  -28    4   17 o   35.041   11.043 -183.3167  111.074   61.248  165.203 -385.0792  150.052   45.691   18.444   24.391   12.151 21.29973 22.08673 
1 1 1  -28    4   18 o   62.107   12.417  246.033  115.054   63.944  167.721  407.881  158.124   46.113   18.594   78.102   16.462 -31.98936 24.83410 
1 1 1  -28    4   19 o   37.393   11.192 -16.6953   89.430 -64.0435  110.607   72.699  151.980   29.761   13.503   45.026   17.853 -15.26518 22.38427 
1 1 1  -28    4   20 o  271.494   4.4405  4678.58  142.984  4651.46  173.338  4736.33  252.937  270.405   5.0478  272.582   7.3070 -2.177185 8.880990 
1 1 1  -28    4   21 o  115.361   7.7053  841.139  106.052  818.511  128.683  889.047  187.243  113.160   8.9547  117.561   12.542 -4.400864 15.41057 
1 1 1  -28    4   22 o   55.051   12.423  199.317  106.233  281.358  129.695   32.043  185.191   64.537   15.923   45.564   19.074 18.97323 24.84660 
1 1 1  -28    4   23 o   35.007   11.103 -63.0106   99.065 -84.1953  125.401 -27.8420  161.573   30.894   14.154   39.119   17.111 -8.225468 22.20671 
1 1 1  -28    4   24 o  189.748   8.0013  2263.74  171.965  1087.40  222.626  4003.91  270.772  129.462   13.541  250.035   8.5276 -120.5732 16.00262 
1 1 1  -28    4   25 o   86.030   12.396  455.446  122.385  374.405  145.007  656.114  228.179   74.231   15.864   97.829   19.052 -23.59793 24.79167 
1 1 1  -28    4   26 o   94.259   19.186  663.823  211.598  495.755  516.772  697.676  231.932   87.789   33.439  100.729   18.823 -12.93996 38.37278 
1 1 1  -28    4   27 o   67.750   14.809  322.758  135.948  345.602  162.762  270.046  247.243   70.332   18.113   65.167   23.434 5.165031 29.61814 
1 1 1  -28    4   28 o   69.676   14.496  350.503  129.368  365.888  151.183  308.431  250.005   72.204   16.803   67.147   23.626 5.057106 28.99181 
1 1 1  -28    4   29 o   90.206   9.8284  569.390  105.487  481.743  164.239  630.933  137.626   82.597   16.237   97.814   11.080 -15.21632 19.65676 
1 1 1  -28    4   30 o   22.417   11.375 -577.7659  167.642 -577.7659  167.642   0.0000   0.0000   22.417   11.375  ?   ?       ?      ? 
1 1 1  -28    4   31 f   36.729   12.076 -87.4295  132.229 -596.9975  316.114   20.639  145.577   35.633   17.733   37.826   16.397 -2.192928 24.15196 
1 1 1  -28    4   32 o   38.638   16.649   42.448  148.277   0.0000   0.0000   42.448  148.277  ?   ?    38.638   16.649      ?      ? 
1 1 1  -28    6    1 o  369.453   5.3212  8669.85  249.660  8669.85  249.660   0.0000   0.0000  369.453   5.3212  ?   ?       ?      ? 
1 1 1  -28    6    2 o  163.227   4.5955  1701.91   94.219  1762.73  125.662  1623.82  142.391  166.583   5.9401  159.872   7.0135 6.710938 9.190959 
1 1 1  -28    6    3 o  614.567   5.2631 23962.29  410.004 23453.79  560.601 24547.11  601.191  607.576   7.2657  621.557   7.6165 -13.98145 10.52618 
1 1 1  -28    6    4 o  459.023   4.3625 13347.07  253.473 12946.07  342.811 13830.70  376.481  451.445   5.9796  466.601   6.3536 -15.15652 8.724900 
1 1 1  -28    6    5 o  350.057   4.0084  7761.49  177.049  7595.13  236.201  7974.81  267.474  345.795   5.3788  354.319   5.9444 -8.524109 8.016714 
1 1 1  -28    6    6 f  420.499   4.2708 11230.79  227.516 11207.62  311.023 11257.46  333.685  420.039   5.8308  420.959   6.2419 -0.9197998 8.541626 
1 1 1  -28    6    7 o  192.546   4.4599  2333.57  108.409  2164.43  144.070  2554.35  164.599  184.580   6.1463  200.513   6.4641 -15.93250 8.919712 
1 1 1  -28    6    8 o  302.191   4.0533  5773.62  154.344  5589.94  204.477  6016.88  235.308  296.640   5.4280  307.743   6.0210 -11.10333 8.106528 
1 1 1  -28    6    9 o  233.518   4.2498  3465.53  124.851  3470.18  165.696  3459.42  189.900  233.710   5.5829  233.325   6.4089 0.3842010 8.499593 
1 1 1  -28    6   10 o  331.473   4.1618  6984.98  174.273  7008.54  234.956  6956.16  259.836  332.109   5.5709  330.837   6.1845 1.271423 8.323693 
1 1 1  -28    6   11 o  278.519   4.3121  4926.99  151.874  4888.50  205.174  4973.65  225.881  277.330   5.8257  279.708   6.3591 -2.378265 8.624220 
1 1 1  -28    6   12 o  168.070   5.1840  1784.94  110.228  1596.27  149.463  2009.93  163.214  158.395   7.4305  177.746   7.2307 -19.35167 10.36795 
1 1 1  -28    6   13 o  299.910   4.3154  5726.92  164.169  5919.86  229.432  5524.49  235.010  305.106   5.9214  294.714   6.2793 10.39258 8.630885 
1 1 1  -28    6   14 f  278.741   4.4502  4952.59  157.210  5216.28  219.813  4676.48  224.931  286.372   6.0443  271.111   6.5332 15.26151 8.900341 
1 1 1  -28    6   15 o  223.872   4.3670  3213.02  113.811  3250.66  136.474  3127.07  206.233  226.131   4.7524  221.614   7.3280 4.517105 8.734093 
1 1 1  -28    6   16 o  115.824   7.1400  873.230  102.442  950.589  134.806  767.495  157.601  122.098   8.6940  109.551   11.328 12.54746 14.27999 
1 1 1  -28    6   17 o  221.607   4.3195  3212.76  115.869  3454.67  146.764  2812.48  188.785  233.077   4.9584  210.136   7.0744 22.94131 8.639018 
1 1 1  -28    6   18 o   31.573   10.115 -68.2007   85.134 -79.2306  109.052 -50.9887  136.228   28.622   13.145   34.524   15.378 -5.902685 20.23048 
1 1 1  -28    6   19 o   54.224   11.434  118.246   94.574 -11.8628  116.175  373.877  162.842   34.015   14.697   74.433   17.519 -40.41832 22.86701 
1 1 1  -28    6   20 o   41.147   11.981   35.205   96.209   22.248  118.122   60.740  165.824   36.818   15.308   45.476   18.436 -8.658276 23.96251 
1 1 1  -28    6   21 o  186.462   5.5030  2208.62  123.160  2184.32  150.860  2257.19  213.259  185.106   6.4177  187.817   8.9412 -2.711578 11.00596 
1 1 1  -28    6   22 o   70.958   12.172  300.324  106.098  200.732  128.868  509.865  186.925   55.194   16.845   86.723   17.575 -31.52916 24.34424 
1 1 1  -28    6   23 o  210.579   7.1757  2632.01  168.869  1233.83  211.050  5120.02  281.534  138.220   12.024  282.937   7.8354 -144.7173 14.35138 
1 1 1  -28    6   24 o   29.723   10.236 -266.3006  117.047 -213.0743  142.124 -378.4968  206.345   27.879   13.442   31.566   15.440 -3.687679 20.47197 
1 1 1  -28    6   25 o   84.770   11.533  436.642  118.032  297.646  145.201  707.408  202.659   65.816   17.186  103.723   15.386 -37.90689 23.06689 
1 1 1  -28    6   26 o   86.935   12.173  573.901  125.274  723.306  158.540  325.555  204.402  105.389   11.846   68.482   21.269 36.90649 24.34512 
1 1 1  -28    6   27 o   53.394   13.686   85.263  125.509 -46.5211  153.199  354.250  218.872   36.362   16.244   70.427   22.031 -34.06530 27.37211 
1 1 1  -28    6   28 o   38.825   12.241 -253.5580  137.772 -539.7895  181.025  140.446  212.388   24.781   12.484   52.870   21.060 -28.08993 24.48223 
1 1 1  -28    6   29 o   41.485   12.699 -236.4537  140.896  228.853  226.533 -530.0125  179.933   58.351   22.160   24.619   12.408 33.73235 25.39755 
1 1 1  -28    6   30 o   42.443   14.105 -175.1823  179.326   29.710  310.880 -277.3543  219.531   50.952   22.922   33.933   16.445 17.01917 28.21089 
1 1 1  -28    6   31 o   29.311   13.936 -131.5649  141.466   0.0000   0.0000 -131.5649  141.466  ?   ?    29.311   13.936      ?      ? 
1 1 1  -28    6   32 o   31.696   14.945 -100.5855  156.395   0.0000   0.0000 -100.5855  156.395  ?   ?    31.696   14.945      ?      ? 
1 1 1  -28    8    1 o  279.642   3.7691  4920.19  132.066  4687.84  171.524  5258.47  206.967  271.627   4.9725  287.657   5.6656 -16.02991 7.538245 
1 1 1  -28    8    2 o  268.714   4.3755  4608.96  148.096  4419.85  221.523  4761.79  199.141  263.690   6.6153  273.737   5.7286 -10.04730 8.750915 
1 1 1  -28    8    3 o  354.959   3.9948  7991.99  178.907  7882.23  238.988  8131.92  269.837  352.207   5.3432  357.712   5.9401 -5.505127 7.989614 
1 1 1  -28    8    4 o   85.127   7.6972  452.057   82.327  394.745  107.456  533.510  128.104   78.731   10.747   91.522   11.022 -12.79105 15.39448 
1 1 1  -28    8    5 o  167.849   4.6302  1793.87   98.525  1861.37  137.146  1721.88  141.633  171.124   6.3109  164.574   6.7768 6.550079 9.260306 
1 1 1  -28    8    6 o  163.402   4.7803  1658.69   97.939  1457.35  126.817  1956.22  154.166  151.403   6.5958  175.402   6.9211 -23.99847 9.560658 
1 1 1  -28    8    7 o  286.793   4.0522  5191.60  145.675  5012.36  189.826  5448.38  227.209  280.834   5.3227  292.752   6.1115 -11.91772 8.104403 
1 1 1  -28    8    8 o  223.545   4.2896  3157.97  120.628  3044.48  158.778  3312.91  185.512  218.840   5.7133  228.250   6.4001 -9.409531 8.579182 
1 1 1  -28    8    9 o  247.043   4.1915  3869.84  131.178  3734.52  178.246  4029.73  193.752  242.353   5.7915  251.734   6.0608 -9.380493 8.382983 
1 1 1  -28    8   10 f  236.493   4.3137  3564.64  116.747  3574.50  138.010  3539.83  218.919  237.154   4.5825  235.832   7.3098 1.322632 8.627413 
1 1 1  -28    8   11 o  374.993   4.3856  8905.99  187.167  8857.46  220.026  9033.05  356.023  373.302   4.6413  376.684   7.4426 -3.382172 8.771152 
1 1 1  -28    8   12 o  152.456   5.1226  1435.15   91.290  1370.42  108.373  1593.31  169.402  146.786   5.8137  158.127   8.4360 -11.34007 10.24524 
1 1 1  -28    8   13 o   61.509   11.268  221.777   84.483  164.372  101.026  355.284  154.067   50.200   14.824   72.818   16.974 -22.61760 22.53572 
1 1 1  -28    8   14 o  318.605   4.1766  6425.95  154.237  6379.62  183.481  6537.56  284.765  316.785   4.5609  320.425   6.9981 -3.639740 8.353172 
1 1 1  -28    8   15 o  177.471   4.6622  2068.19   98.625  2207.72  122.611  1812.41  166.002  186.309   5.1822  168.633   7.7516 17.67682 9.324356 
1 1 1  -28    8   16 o  200.510   4.5845  2604.47  109.723  2697.04  135.289  2426.55  187.559  205.910   5.1738  195.111   7.5697 10.79939 9.168907 
1 1 1  -28    8   17 o  230.661   4.5604  3443.80  125.759  3560.48  155.230  3220.98  214.524  236.565   5.1671  224.757   7.5160 11.80814 9.120773 
1 1 1  -28    8   18 o  128.364   6.5707  1095.97   98.736  1175.39  121.068  938.259  170.618  135.781   7.0212  120.947   11.108 14.83344 13.14132 
1 1 1  -28    8   19 o   77.661   10.748  386.034  103.138  299.165  134.558  509.767  160.590   66.552   16.097   88.771   14.245 -22.21958 21.49502 
1 1 1  -28    8   20 o  179.019   5.3836  2061.38  119.012  2111.17  152.576  1984.01  190.190  181.932   6.6039  176.106   8.5043 5.825317 10.76724 
1 1 1  -28    8   21 o  124.169   7.3961  981.176  112.835  952.904  141.679  1030.21  186.581  121.926   9.1502  126.411   11.623 -4.484932 14.79226 
1 1 1  -28    8   22 o  255.209   9.1956  4179.81  298.026   0.0000   0.0000  4179.81  298.026  ?   ?   255.209   9.1956      ?      ? 
1 1 1  -28    8   23 o  112.437   8.8795  828.866  119.751  848.209  148.035  792.243  203.694  114.767   10.157  110.106   14.568 4.661835 17.75906 
1 1 1  -28    8   24 o  140.691   7.2232  1268.15  125.884  1235.94  160.302  1319.95  203.327  138.612   9.1067  142.770   11.215 -4.157654 14.44638 
1 1 1  -28    8   25 o   74.964   13.417  356.121  127.787  230.596  159.077  584.485  214.564   58.580   18.838   91.349   19.110 -32.76881 26.83369 
1 1 1  -28    8   26 o   93.535   11.478  612.673  128.298  664.522  165.853  535.418  202.451  100.291   13.022   86.779   18.905 13.51182 22.95635 
1 1 1  -28    8   27 o   41.179   13.673 -153.4648  161.913 -163.1883  306.200 -149.6907  190.764   46.488   21.589   35.870   16.784 10.61777 27.34584 
1 1 1  -28    8   28 o   53.971   15.141 -199.9800  159.176  565.760  330.689 -430.8999  181.598   81.334   27.218   26.608   13.273 54.72560 30.28206 
1 1 1  -28    8   29 o   34.545   11.832 -340.0079  169.912 -824.0917  300.697 -112.9419  205.942   31.380   15.844   37.711   17.577 -6.331770 23.66371 
1 1 1  -28    8   30 o   58.036   15.573  271.023  174.139   46.810  291.147  395.909  217.290   48.641   22.004   67.431   22.042 -18.79034 31.14547 
1 1 1  -28    8   31 o   39.169   13.038 -87.1235  166.785 -114.0816  230.294 -57.3867  241.872   37.840   17.930   40.499   18.934 -2.658859 26.07642 
1 1 1  -28   10    1 o  477.193   5.2443 14515.62  302.096 14556.70  373.519 14437.93  513.674  478.368   6.1486  476.018   8.4974 2.349579 10.48859 
1 1 1  -28   10    2 o  427.008   4.5753 11610.38  217.548 11620.73  252.917 11580.93  426.537  427.580   4.6578  426.437   7.8763 1.143585 9.150522 
1 1 1  -28   10    3 o   44.872   10.812  116.630   68.817  115.414   81.279  119.710  129.328   42.715   13.436   47.030   16.945 -4.315346 21.62490 
1 1 1  -28   10    4 o  231.042   3.8784  3399.52  102.840  3406.49  121.777  3382.19  192.022  231.527   4.1418  230.556   6.5584 0.9701080 7.756703 
1 1 1  -28   10    5 o  259.103   4.0488  4365.28  118.927  4489.23  140.706  4055.27  222.530  265.784   4.1688  252.422   6.9420 13.36133 8.097505 
1 1 1  -28   10    6 o  240.320   3.9584  3663.18  107.537  3651.72  125.965  3694.01  206.503  239.712   4.1379  240.927   6.7494 -1.214569 7.916852 
1 1 1  -28   10    7 o  249.764   4.1175  3871.84  114.886  3770.70  132.940  4170.19  228.329  243.575   4.2978  255.953   7.0246 -12.37769 8.235068 
1 1 1  -28   10    8 o  299.399   4.1076  5683.82  139.551  5661.80  163.812  5742.08  266.469  298.463   4.3219  300.335   6.9866 -1.871521 8.215287 
1 1 1  -28   10    9 o   94.759   7.2958  578.791   78.700  585.700   92.964  561.314  147.855   95.890   7.6342   93.628   12.435 2.262024 14.59156 
1 1 1  -28   10   10 o  198.008   4.4666  2449.43  100.959  2393.02  118.420  2599.52  193.169  194.005   4.8065  202.010   7.5298 -8.004562 8.933164 
1 1 1  -28   10   11 o  161.831   5.0094  1633.82   95.809  1577.78  115.030  1760.76  173.122  157.477   5.7520  166.186   8.2031 -8.709427 10.01883 
1 1 1  -28   10   12 o  194.183   4.4458  2336.94  102.648  2227.97  123.594  2579.24  184.291  187.156   5.2002  201.210   7.2123 -14.05345 8.891545 
1 1 1  -28   10   13 o  217.218   4.3950  3024.87  109.824  3054.11  130.517  2953.97  203.251  219.151   4.6897  215.285   7.4343 3.865967 8.789919 
1 1 1  -28   10   14 o  302.364   4.2997  5907.05  150.197  6034.38  179.592  5610.74  273.965  308.041   4.5909  296.687   7.2714 11.35385 8.599431 
1 1 1  -28   10   15 o   74.166   10.724  369.512   95.425  388.211  119.557  336.691  158.396   77.741   12.110   70.592   17.701 7.148705 21.44741 
1 1 1  -28   10   16 o  137.023   6.1136  1158.47  100.228  1083.26  121.009  1322.79  178.875  130.312   7.3123  143.735   9.7996 -13.42320 12.22713 
1 1 1  -28   10   17 o  101.391   9.2040  726.975  103.493  838.073  128.579  522.578  174.403  114.454   8.8463   88.328   16.143 26.12644 18.40803 
1 1 1  -28   10   18 o   53.690   11.669   99.404  101.949 -57.4296  127.215  380.931  170.444   32.657   14.680   74.722   18.144 -42.06515 23.33845 
1 1 1  -28   10   19 o   72.471   12.785  346.629  107.591  334.154  125.785  380.640  207.687   70.470   14.538   74.472   21.034 -4.002518 25.56936 
1 1 1  -28   10   20 o  276.827   8.9552  4915.21  314.820   0.0000   0.0000  4915.21  314.820  ?   ?   276.827   8.9552      ?      ? 
1 1 1  -28   10   21 o   57.083   12.809  132.737  117.961 -30.4110  148.524  411.465  194.132   37.124   16.318   77.043   19.750 -39.91909 25.61884 
1 1 1  -28   10   22 o   50.999   12.966  132.739  120.357  250.197  152.520 -61.1333  195.948   60.773   18.277   41.225   18.397 19.54834 25.93246 
1 1 1  -28   10   23 o   77.212   12.881  420.654  122.174  441.742  155.736  386.906  197.011   80.355   15.825   74.068   20.329 6.286827 25.76181 
1 1 1  -28   10   24 o   53.111   13.866  165.520  124.208  198.611  161.452  117.535  194.421   55.327   19.013   50.896   20.188 4.431103 27.73221 
1 1 1  -28   10   25 o   58.629   15.215   49.812  152.729  510.134  293.599 -120.9656  178.829   81.483   25.521   35.775   16.573 45.70765 30.42998 
1 1 1  -28   10   26 o   50.364   15.550   42.850  159.548  119.481  337.521   20.799  181.054   58.269   25.113   42.458   18.346 15.81150 31.10076 
1 1 1  -28   10   27 o  257.690   7.0381  4402.77  229.937  4374.00  334.134  4428.64  316.909  256.557   10.256  258.824   9.6417 -2.267120 14.07618 
1 1 1  -28   10   28 o   70.328   15.571  419.206  161.341  292.329  237.151  528.532  220.139   60.510   22.743   80.146   21.274 -19.63562 31.14268 
1 1 1  -28   10   29 o   42.220   13.668 -18.1844  164.612  -3.4976  240.357 -31.1583  225.907   43.254   19.733   41.186   18.917 2.067852 27.33557 
1 1 1  -28   12    1 o  181.777   4.1110  2071.90   86.811  2028.00  103.100  2178.85  160.921  178.594   4.5458  184.960   6.8511 -6.365280 8.222019 
1 1 1  -28   12    2 o  129.113   5.6474  1132.46   80.841  1220.48   95.866  915.807  150.403  138.508   5.4502  119.718   9.8929 18.79031 11.29483 
1 1 1  -28   12    3 o  313.872   4.0466  6320.76  144.148  6386.33  169.843  6151.88  272.568  316.958   4.2196  310.786   6.9061 6.172150 8.093186 
1 1 1  -28   12    4 o  285.608   4.0133  5236.54  131.027  5297.93  155.138  5083.80  244.714  288.687   4.2317  282.530   6.8205 6.156219 8.026609 
1 1 1  -28   12    5 o  107.275   6.8521  793.266   80.860  866.301   95.965  614.477  150.147  116.644   6.4785   97.906   12.076 18.73806 13.70418 
1 1 1  -28   12    6 o  330.513   4.1630  6996.70  156.989  7054.49  185.490  6850.79  294.744  333.104   4.3849  327.922   7.0778 5.181915 8.326009 
1 1 1  -28   12    7 o  151.031   5.0700  1432.18   91.613  1391.80  111.400  1516.55  161.026  147.874   5.9322  154.188   8.2237 -6.314407 10.13999 
1 1 1  -28   12    8 o  152.794   5.1453  1425.11   91.382  1339.92  107.714  1643.88  172.613  145.092   5.8459  160.496   8.4690 -15.40413 10.29070 
1 1 1  -28   12    9 o  136.638   6.2442  1185.05  107.788  1126.00  143.939  1260.44  162.638  132.812   8.5342  140.465   9.1175 -7.652695 12.48845 
1 1 1  -28   12   10 o   91.638   7.8103  557.513   85.503  603.898  107.125  476.091  141.928   97.242   8.6748   86.034   12.990 11.20804 15.62052 
1 1 1  -28   12   11 o  188.546   4.7160  2253.12  105.819  2230.47  128.555  2300.71  186.355  187.201   5.4075  189.891   7.7279 -2.689911 9.431940 
1 1 1  -28   12   12 o   91.470   8.0201  531.242   89.321  516.815  110.816  557.999  150.912   89.851   9.7119   93.088   12.766 -3.236923 16.04024 
1 1 1  -28   12   13 o  201.669   4.7319  2625.33  112.954  2684.81  137.714  2503.06  197.450  205.361   5.2806  197.977   7.8535 7.384354 9.463766 
1 1 1  -28   12   14 o  206.371   4.7765  2680.29  119.297  2600.34  146.807  2835.71  204.694  202.035   5.7219  210.708   7.6497 -8.673019 9.552952 
1 1 1  -28   12   15 o  173.820   5.4407  1892.31  111.552  1830.20  133.775  2034.09  202.106  169.423   6.2177  178.218   8.9300 -8.795349 10.88136 
1 1 1  -28   12   16 o  112.813   8.2187  743.612  105.564  659.018  121.691  1000.83  212.198  101.359   9.4540  124.267   13.446 -22.90798 16.43732 
1 1 1  -28   12   17 o  528.930   6.0208 18224.14  391.001 19243.24  501.674 16647.10  624.070  548.755   7.1989  509.106   9.6527 39.64883 12.04152 
1 1 1  -28   12   18 o   45.387   12.822 -11.9485  114.688 -121.8946  139.750  214.836  200.710   31.146   14.504   59.627   21.148 -28.48178 25.64429 
1 1 1  -28   12   19 o   53.333   13.593  165.294  120.967  224.470  150.499   57.278  203.331   58.147   18.282   48.520   20.121 9.626579 27.18581 
1 1 1  -28   12   20 o   45.298   13.162   53.896  116.048   34.490  142.858   91.547  198.987   40.498   16.836   50.098   20.235 -9.599861 26.32310 
1 1 1  -28   12   21 o  146.259   7.3101  1389.66  129.480  1398.52  160.979  1373.43  217.912  147.372   8.6016  145.147   11.822 2.224274 14.62018 
1 1 1  -28   12   22 o   95.838   11.442  676.487  123.506  781.698  153.802  485.459  207.242  109.431   11.067   82.244   20.029 27.18761 22.88321 
1 1 1  -28   12   23 o   51.032   15.469   13.303  155.551  215.258  317.829 -50.3074  178.373   63.179   25.554   38.885   17.438 24.29358 30.93720 
1 1 1  -28   12   24 o   43.953   14.082 -54.9019  166.739 -267.1407  308.605   32.600  198.152   43.213   20.557   44.693   19.252 -1.480080 28.16485 
1 1 1  -28   12   25 o  211.058   8.6295  2621.35  213.940  1663.07  257.771  4742.78  383.532  156.189   12.996  265.927   11.357 -109.7371 17.25896 
1 1 1  -28   12   26 o   44.119   13.866   18.096  154.898  -4.8389  237.776   35.005  204.164   44.463   20.020   43.775   19.189 0.6884270 27.73143 
1 1 1  -28   12   27 o   47.286   13.980   65.618  154.432  274.717  219.615 -138.9156  217.204   57.698   21.841   36.874   17.456 20.82332 27.95967 
1 1 1  -28   12   28 o   60.439   15.623  336.746  155.990  291.696  210.642  391.454  232.127   57.061   21.437   63.817   22.732 -6.756020 31.24555 
1 1 1  -28   14    1 o  215.143   4.2447  2955.10  104.203  2962.99  122.959  2934.99  196.292  215.814   4.4865  214.471   7.2070 1.342880 8.489386 
1 1 1  -28   14    2 o  413.321   4.6301 10890.53  214.022 10890.31  249.383 10891.14  416.950  413.704   4.7468  412.937   7.9510 0.7665710 9.260146 
1 1 1  -28   14    3 o  291.312   4.1838  5339.20  138.116  5259.85  161.581  5554.44  266.126  287.552   4.4248  295.071   7.1020 -7.519165 8.367675 
1 1 1  -28   14    4 f  192.575   4.7253  2389.78  105.361  2427.19  125.992  2302.77  192.146  195.278   5.0806  189.872   7.9688 5.405472 9.450574 
1 1 1  -28   14    5 o  188.827   4.6192  2251.70  103.447  2214.06  125.085  2333.16  184.010  186.486   5.2818  191.168   7.5796 -4.681946 9.238420 
1 1 1  -28   14    6 o  207.789   4.4531  2685.80  106.273  2601.13  124.927  2907.51  202.160  202.167   4.8660  213.411   7.4593 -11.24486 8.906146 
1 1 1  -28   14    7 o  177.845   4.6834  1982.74   97.358  1931.36  116.058  2104.78  178.864  174.166   5.2473  181.523   7.7591 -7.357361 9.366837 
1 1 1  -28   14    8 o  183.117   4.7186  2127.39  100.810  2109.97  120.499  2168.00  184.021  182.037   5.2125  184.196   7.8670 -2.159393 9.437171 
1 1 1  -28   14    9 o  150.672   5.2685  1469.04   90.203  1493.67  106.568  1406.83  169.395  153.130   5.4801  148.213   8.9999 4.917252 10.53704 
1 1 1  -28   14   10 o  115.581   7.3900  832.373  106.811  693.279  137.869  1041.19  168.927  103.869   10.452  127.292   10.450 -23.42229 14.78007 
1 1 1  -28   14   11 o   44.758   12.416   5.2632  118.681 -179.3040  165.405  201.113  170.386   32.478   15.331   57.039   19.535 -24.56161 24.83250 
1 1 1  -28   14   12 f   86.492   11.415  495.594  135.504   46.826  182.901  1041.59  201.745   46.073   19.093  126.911   12.518 -80.83803 22.83047 
1 1 1  -28   14   13 o  287.364   5.3713  5712.94  180.446  7293.28  238.302  3588.96  276.265  338.252   5.5477  236.477   9.1994 101.7753 10.74270 
1 1 1  -28   14   14 o  306.867   4.8372  5870.27  177.529  5600.74  215.017  6447.51  314.667  296.355   5.7132  317.379   7.8072 -21.02307 9.674381 
1 1 1  -28   14   15 o  128.417   7.3492  1049.17  113.641  1020.51  139.204  1106.43  196.770  126.110   8.6921  130.724   11.853 -4.614288 14.69846 
1 1 1  -28   14   16 o  103.172   8.8674  659.886  113.291  547.883  142.360  853.331  187.090   91.853   12.204  114.491   12.868 -22.63790 17.73480 
1 1 1  -28   14   17 o   62.443   12.837  238.770  112.339  124.707  144.555  412.708  178.508   47.925   17.807   76.961   18.494 -29.03558 25.67345 
1 1 1  -28   14   18 o  108.610   8.6036  769.770  116.908  765.866  152.710  775.296  181.712  108.537   11.079  108.683   13.166 -0.1453171 17.20714 
1 1 1  -28   14   19 o  188.887   5.9149  2290.55  136.191  2262.79  169.839  2340.56  227.943  187.697   7.1253  190.077   9.4432 -2.380203 11.82979 
1 1 1  -28   14   20 o   61.760   12.992  248.482  140.353 -105.1439  222.995  480.469  180.616   41.331   18.913   82.189   17.818 -40.85783 25.98493 
1 1 1  -28   14   21 o   44.799   13.939   9.5947  142.669 -16.2395  264.019   20.250  169.557   48.144   21.429   41.454   17.833 6.689930 27.87895 
1 1 1  -28   14   22 o   38.635   12.753 -145.6402  150.209 -199.9533  193.778 -63.8728  237.762   33.975   16.198   43.295   19.703 -9.320511 25.50639 
1 1 1  -28   14   23 o   33.832   11.655 -364.3894  160.657 -552.1162  219.553 -148.0092  235.713   28.225   14.156   39.440   18.519 -11.21531 23.30937 
1 1 1  -28   14   24 o   38.138   12.527 -115.1892  152.089 -342.4146  253.304   12.906  190.186   35.050   17.137   41.225   18.276 -6.174522 25.05368 
1 1 1  -28   14   25 o   63.221   16.303  360.307  167.516  363.959  277.681  358.217  210.041   62.669   24.344   63.773   21.690 -1.103806 32.60515 
1 1 1  -28   16    1 o  112.653   7.9950  732.728  105.231  615.262  122.994  1053.60  203.279   97.807   9.9023  127.498   12.555 -29.69081 15.98994 
1 1 1  -28   16    2 o  149.782   6.5914  1423.42  113.834  1399.86  134.684  1482.35  212.989  147.983   7.1668  151.581   11.065 -3.597885 13.18287 
1 1 1  -28   16    3 o  221.757   5.0604  3051.65  129.089  2933.85  151.700  3360.86  245.766  214.518   5.5686  228.996   8.4511 -14.47806 10.12080 
1 1 1  -28   16    4 o  216.457   4.8720  2973.59  123.714  2941.77  148.439  3045.97  223.871  214.826   5.4410  218.088   8.0833 -3.261993 9.743942 
1 1 1  -28   16    5 o   29.022   9.8665 -173.3129   94.737 -161.3764  112.647 -202.1561  175.107   25.184   12.098   32.860   15.589 -7.675623 19.73305 
1 1 1  -28   16    6 o  215.609   4.9812  2863.83  120.070  2751.80  138.640  3199.97  240.162  207.795   5.2538  223.424   8.4644 -15.62869 9.962403 
1 1 1  -28   16    7 o  156.626   5.9853  1554.73  106.364  1532.85  124.597  1613.50  204.221  154.951   6.3319  158.301   10.159 -3.349121 11.97051 
1 1 1  -28   16    8 o   95.866   10.538  684.049  107.947  797.894  131.228  445.807  189.836  111.432   9.2734   80.301   18.926 31.13120 21.07536 
1 1 1  -28   16    9 o  230.299   5.5019  3354.73  158.911  3145.31  206.485  3658.95  248.871  221.706   7.3339  238.893   8.2034 -17.18715 11.00371 
1 1 1  -28   16   10 o  103.814   8.6403  698.421  108.719  695.208  134.930  704.369  183.564  103.817   10.234  103.812   13.924 0.5302429E-02 17.28066 
1 1 1  -28   16   11 o   96.655   8.7796  570.393  104.144  465.009  128.712  770.188  177.224   84.606   11.979  108.703   12.838 -24.09738 17.55919 
1 1 1  -28   16   12 o  180.510   5.7377  2173.03  124.749  2404.68  158.914  1801.05  201.376  193.905   6.4535  167.116   9.4888 26.78905 11.47543 
1 1 1  -28   16   13 o  112.212   8.5400  864.053  114.674  1003.95  148.270  655.809  180.901  124.709   9.3621   99.715   14.286 24.99380 17.08009 
1 1 1  -28   16   14 o   98.921   8.8297  617.552  108.783  514.931  138.593  782.226  175.565   88.662   12.309  109.180   12.662 -20.51769 17.65931 
1 1 1  -28   16   15 o   52.800   13.021  179.206  108.139  212.139  139.342  129.332  171.473   55.753   17.599   49.846   19.195 5.906498 26.04169 
1 1 1  -28   16   16 o   49.166   13.013  138.338  106.589  139.476  132.935  136.290  178.368   47.767   17.182   50.565   19.547 -2.798054 26.02567 
1 1 1  -28   16   17 o   50.653   12.546   17.151  133.541  376.313  193.433 -309.9146  184.588   71.281   20.358   30.025   14.669 41.25562 25.09231 
1 1 1  -28   16   18 o   99.950   10.135  686.801  126.477  652.053  193.942  712.515  166.835   97.010   15.743  102.890   12.768 -5.879799 20.26979 
1 1 1  -28   16   19 o  191.990   7.6473  2426.09  183.219  1869.89  245.862  3120.73  274.761  166.859   11.603  217.121   9.9650 -50.26180 15.29460 
1 1 1  -28   16   20 o   76.863   14.248  464.409  143.538  351.073  198.278  589.206  208.061   66.313   21.000   87.413   19.262 -21.10028 28.49648 
1 1 1  -28   16   21 o   36.923   12.215 -114.4027  143.796 -355.3225  263.315 -12.0230  171.651   35.575   17.410   38.271   17.139 -2.695625 24.43013 
1 1 1  -28   16   22 o   41.435   13.362 -30.3707  147.937   85.952  249.640 -93.3308  183.660   47.601   21.029   35.269   16.492 12.33261 26.72473 
1 1 1  -28   16   23 o   42.065   13.627   4.1209  163.728 -50.0086  258.726   40.277  211.454   41.792   19.552   42.339   18.987 -0.5474854 27.25421 
1 1 1  -28   18    1 o  179.837   5.7085  2124.21  119.865  2192.84  144.998  1976.08  213.020  185.051   6.1701  174.622   9.6060 10.42879 11.41692 
1 1 1  -28   18    2 o   49.415   12.551  149.051   98.526  172.909  119.445   98.258  174.280   50.952   16.317   47.878   19.075 3.074257 25.10192 
1 1 1  -28   18    3 o  208.357   5.2687  2812.54  125.049  2841.83  147.777  2738.67  234.678  210.851   5.5189  205.864   8.9767 4.986740 10.53749 
1 1 1  -28   18    4 o  215.740   5.2667  2927.11  130.171  2845.03  152.948  3142.78  247.928  210.913   5.7103  220.567   8.8513 -9.653564 10.53344 
1 1 1  -28   18    5 o   99.909   8.9852  666.368  106.762  685.960  131.249  628.052  183.546  102.769   10.057   97.049   14.893 5.719971 17.97033 
1 1 1  -28   18    6 o  132.312   7.5341  1172.10  114.072  1218.01  136.424  1065.39  207.973  137.526   7.8114  127.097   12.885 10.42932 15.06811 
1 1 1  -28   18    7 o  161.628   6.2076  1648.85  117.171  1588.37  139.344  1794.84  216.489  157.237   6.9784  166.020   10.268 -8.782715 12.41517 
1 1 1  -28   18    8 o   72.463   12.014  332.995  102.294  266.189  121.841  492.555  188.299   61.715   15.552   83.210   18.316 -21.49523 24.02786 
1 1 1  -28   18    9 o  111.791   8.1901  791.748  107.916  743.247  128.739  906.369  197.910  106.896   9.4836  116.687   13.356 -9.791168 16.38025 
1 1 1  -28   18   10 o   49.371   12.744  149.551  102.523  162.243  129.352  128.105  168.137   49.722   17.021   49.019   18.970 0.7022743 25.48709 
1 1 1  -28   18   11 o   35.261   11.092 -79.5770   97.797 -157.5110  120.922   67.795  166.284   26.272   12.598   44.250   18.260 -17.97867 22.18439 
1 1 1  -28   18   12 o  195.374   5.4721  2396.52  123.523  2292.35  145.548  2664.69  233.540  188.795   6.0707  201.953   9.1061 -13.15846 10.94414 
1 1 1  -28   18   13 o  129.990   8.2381  1138.26  115.541  1147.65  132.942  1109.26  233.597  132.855   7.8797  127.125   14.470 5.730110 16.47610 
1 1 1  -28   18   14 o  120.455   15.566  1016.94  238.105   0.0000   0.0000  1016.94  238.105  ?   ?   120.455   15.566      ?      ? 
1 1 1  -28   18   15 o   27.403   9.7856 -575.1550  148.701 -588.1659  188.729 -553.8544  241.480   24.479   12.382   30.327   15.156 -5.847834 19.57114 
1 1 1  -28   18   16 o   70.220   14.098  393.705  131.581  390.113  186.242  397.286  185.926   69.868   19.983   70.571   19.891 -0.7020569 28.19563 
1 1 1  -28   18   17 o   50.199   14.072  159.713  132.912  227.898  203.835  109.279  175.306   54.898   20.979   45.500   18.759 9.397636 28.14335 
1 1 1  -28   18   18 o   48.390   14.007  145.256  134.158  188.658  214.464  117.354  171.957   51.571   20.945   45.210   18.602 6.361389 28.01342 
1 1 1  -28   18   19 o   59.466   15.372  316.863  150.755  358.125  224.926  283.210  203.135   62.036   22.347   56.897   21.115 5.139488 30.74439 
1 1 1  -28   20    1 o  ?   ?  -550.4816  148.135 -550.4816  148.135   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -28   20    2 o   32.168   15.953 -578.2606  115.799 -606.2825  131.085 -478.6883  247.099  ?   ?    32.168   15.953      ?      ? 
1 1 1  -28   20    3 o  113.024   10.425  694.609  114.954  597.174  124.298  1270.56  302.202   94.573   10.350  131.475   18.100 -36.90201 20.84997 
1 1 1  -28   20    4 o   33.964   12.061 -367.4174  114.782 -430.7739  124.643 -13.8977  294.429   19.389   9.8352   48.540   22.026 -29.15115 24.12243 
1 1 1  -28   20    5 o   59.919   15.168   67.865  137.918 -78.6833  154.027  660.591  309.766   33.624   15.508   86.213   26.074 -52.58916 30.33699 
1 1 1  -28   20    6 o   78.093   12.420  516.667  109.436  575.718  125.100  324.164  225.873   92.604   10.638   63.582   22.447 29.02176 24.84045 
1 1 1  -28   20    7 o   99.581   9.9363  708.978  110.700  724.945  133.162  673.258  199.174  104.116   10.071   95.046   17.132 9.070305 19.87268 
1 1 1  -28   20    8 o   45.569   13.230   97.006  107.231   79.764  122.547  153.339  221.510   39.874   15.959   51.264   21.106 -11.39025 26.46023 
1 1 1  -28   20    9 o   67.924   13.082  374.469  110.325  394.198  128.250  318.320  216.360   73.713   14.216   62.135   21.966 11.57784 26.16477 
1 1 1  -28   20   10 o   73.587   11.815  412.579  101.277  417.986  119.695  398.951  190.021   77.704   12.130   69.469   20.278 8.234940 23.62909 
1 1 1  -28   20   11 o   86.614   13.097  563.826  144.381  889.381  228.015  345.925  186.543  109.059   16.464   64.170   20.374 44.88859 26.19477 
1 1 1  -28   20   12 o   70.030   15.006  417.343  143.440  514.896  225.691  351.233  185.791   75.989   22.076   64.071   20.332 11.91808 30.01261 
1 1 1  -28   20   13 o   51.937   14.590  180.266  149.332  348.104  226.093   50.390  198.887   61.507   22.367   42.367   18.741 19.13947 29.18043 
1 1 1  -27    1    1 o  925.152   7.3819 54259.37  865.579 56576.03  1273.19 52268.39  1180.31  943.449   10.627  906.854   10.249 36.59491 14.76371 
1 1 1  -27    1    2 o  291.142   5.2814  5383.55  195.269  5383.55  195.269   0.0000   0.0000  291.142   5.2814  ?   ?       ?      ? 
1 1 1  -27    1    3 o   26.139   8.7843 -206.4812   85.221 -382.0673  125.661 -56.9467  115.965   21.032   10.570   31.245   14.033 -10.21266 17.56850 
1 1 1  -27    1    4 o  332.609   5.3944  7026.38  227.855   0.0000   0.0000  7026.38  227.855  ?   ?   332.609   5.3944      ?      ? 
1 1 1  -27    1    5 o  101.134   7.3090  653.791   93.322  716.005  129.846  587.316  134.218  106.146   9.6327   96.123   10.995 10.02314 14.61799 
1 1 1  -27    1    6 o  630.812   5.3569 25256.22  428.804 24722.21  592.629 25843.01  621.222  623.824   7.4807  637.799   7.6698 -13.97583 10.71389 
1 1 1  -27    1    7 o  372.884   5.9319  8831.53  280.897   0.0000   0.0000  8831.53  280.897  ?   ?   372.884   5.9319      ?      ? 
1 1 1  -27    1    8 o  624.322   7.6686 24763.23  607.998 24763.23  607.998   0.0000   0.0000  624.322   7.6686  ?   ?       ?      ? 
1 1 1  -27    1    9 o  278.229   4.2780  4907.73  151.008  5147.08  219.405  4692.30  208.155  284.662   6.0693  271.796   6.0307 12.86597 8.556007 
1 1 1  -27    1   10 o  289.697   6.1381  5330.86  225.815  5330.86  225.815   0.0000   0.0000  289.697   6.1381  ?   ?       ?      ? 
1 1 1  -27    1   11 o  359.204   4.1629  8195.80  189.888  8211.84  267.669  8179.55  269.425  359.558   5.8621  358.849   5.9122 0.7088318 8.325737 
1 1 1  -27    1   12 o  115.490   7.7688  842.497  113.337  797.472  151.220  900.204  171.198  111.997   10.632  118.982   11.330 -6.985168 15.53760 
1 1 1  -27    1   13 o  196.430   5.2448  2454.42  130.679  2571.91  183.898  2334.57  185.731  201.188   7.1977  191.673   7.6304 9.515747 10.48953 
1 1 1  -27    1   14 o  207.663   5.3294  2741.89  140.482  2773.84  196.420  2708.43  201.001  208.905   7.4039  206.420   7.6678 2.485474 10.65889 
1 1 1  -27    1   15 o   39.822   12.026 -25.6554  112.230 -123.3360  163.217   61.948  154.570   34.886   16.044   44.758   17.920 -9.871696 24.05253 
1 1 1  -27    1   16 o   80.040   11.855  429.003  116.042  397.907  173.706  454.064  155.944   77.175   18.046   82.905   15.378 -5.730881 23.70990 
1 1 1  -27    1   17 o   89.935   10.635  527.034  117.924  611.858  169.902  448.190  163.804   97.748   13.687   82.122   16.282 15.62561 21.27065 
1 1 1  -27    1   18 o  218.621   5.2742  3041.43  146.383  3138.10  209.938  2949.96  204.215  222.001   7.4466  215.241   7.4711 6.759750 10.54846 
1 1 1  -27    1   19 o  168.316   6.3641  1800.99  135.800  1941.29  198.499  1677.55  186.192  174.461   8.9594  162.171   9.0408 12.29005 12.72826 
1 1 1  -27    1   20 o  219.178   5.4902  3054.16  152.542  3187.14  223.980  2939.13  208.323  223.602   7.8878  214.753   7.6387 8.849899 10.98030 
1 1 1  -27    1   21 o  150.506   7.6661  1455.40  145.939  1324.47  208.302  1581.63  204.529  143.768   11.409  157.245   10.242 -13.47720 15.33218 
1 1 1  -27    1   22 o  159.118   7.3837  1629.08  148.465  1520.01  216.088  1726.61  204.327  153.967   11.052  164.269   9.7947 -10.30194 14.76734 
1 1 1  -27    1   23 o   37.640   11.965 -60.3391  103.578 -71.0423  119.721 -28.4827  206.543   30.764   13.993   44.517   19.413 -13.75252 23.93013 
1 1 1  -27    1   24 o   96.308   10.919  656.839  108.828  700.305  126.328  531.742  214.312  104.515   9.5180   88.100   19.655 16.41476 21.83813 
1 1 1  -27    1   25 o   39.091   12.613 -203.8072  143.103 -367.1384  187.638   23.274  221.247   29.617   14.536   48.565   20.616 -18.94759 25.22525 
1 1 1  -27    1   26 o   61.771   11.181  255.702   96.810  411.697  136.641   98.473  137.180   78.339   14.260   45.204   17.226 33.13581 22.36262 
1 1 1  -27    1   27 f   91.333   9.1815  543.502  106.220  594.537  151.745  494.472  148.734   95.623   12.496   87.043   13.455 8.580109 18.36301 
1 1 1  -27    1   28 o   85.069   10.944  502.949  112.828  357.377  163.272  636.006  156.095   71.505   17.994   98.633   12.462 -27.12755 21.88847 
1 1 1  -27    1   29 o   59.061   12.885  234.895  113.725  349.127  158.743  114.448  163.005   70.167   17.790   47.954   18.645 22.21273 25.77072 
1 1 1  -27    1   30 o   35.102   11.057 -58.3038  104.374 -164.5144  151.962   36.549  143.607   30.418   14.457   39.785   16.733 -9.366446 22.11380 
1 1 1  -27    1   31 o  187.744   4.9381  2285.43  117.732  2282.85  167.100  2287.98  165.902  187.622   7.0132  187.866   6.9539 -0.2434845 9.876269 
1 1 1  -27    1   32 o   41.484   12.338   62.947  111.086   31.275  159.445   92.821  154.855   39.644   17.173   43.324   17.719 -3.680256 24.67570 
1 1 1  -27    1   33 o   40.032   11.720   51.579  104.934  161.956  145.982 -66.4215  150.940   47.206   17.822   32.858   15.224 14.34779 23.43913 
1 1 1  -27    3    2 o  932.389   10.517 55255.60  1245.25 55255.60  1245.25   0.0000   0.0000  932.389   10.517  ?   ?       ?      ? 
1 1 1  -27    3    3 o  345.844   4.0192  7525.85  175.266  7038.98  231.776  8176.03  267.845  332.906   5.4824  358.781   5.8786 -25.87488 8.038341 
1 1 1  -27    3    4 o  738.873   8.5856 34687.93  805.597 34687.93  805.597   0.0000   0.0000  738.873   8.5856  ?   ?       ?      ? 
1 1 1  -27    3    5 f  1010.13   8.0496 64866.43  1032.59 64992.82  1459.37 64739.72  1461.23  1011.11   11.366  1009.14   11.402 1.974609 16.09924 
1 1 1  -27    3    7 o  209.443   4.6887  2788.13  124.469  3010.40  177.126  2571.31  174.945  217.697   6.4070  201.190   6.8473 16.50748 9.377323 
1 1 1  -27    3    8 o  434.780   4.4179 12006.96  243.843 11991.82  340.195 12022.96  349.693  434.500   6.1654  435.060   6.3294 -0.5596008 8.835881 
1 1 1  -27    3    9 o  232.100   4.4001  3421.66  129.687  3395.68  182.532  3448.15  184.291  231.210   6.2166  232.989   6.2286 -1.779312 8.800117 
1 1 1  -27    3   10 o  686.857   5.7973 29966.15  505.473 29624.71  703.366 30330.83  726.908  682.817   8.1115  690.897   8.2849 -8.079468 11.59465 
1 1 1  -27    3   11 o  264.845   6.1520  4455.69  206.912  4455.69  206.912   0.0000   0.0000  264.845   6.1520  ?   ?       ?      ? 
1 1 1  -27    3   12 o  471.727   4.6417 14145.92  277.891 14610.74  391.097 13671.96  394.924  479.564   6.4218  463.891   6.7038 15.67361 9.283369 
1 1 1  -27    3   13 o  237.734   4.4361  3592.64  133.865  3691.13  188.438  3492.30  190.203  241.028   6.1563  234.441   6.3886 6.587418 8.872146 
1 1 1  -27    3   14 o  107.005   8.2628  729.248  112.243  723.397  156.420  735.459  161.155  106.566   11.558  107.443   11.811 -0.8771515 16.52565 
1 1 1  -27    3   15 o  212.947   4.8351  2886.53  130.629  2981.41  182.950  2787.86  186.579  216.529   6.6533  209.365   7.0175 7.163513 9.670157 
1 1 1  -27    3   16 o  105.418   8.9169  709.891  117.136  905.431  171.493  538.884  160.375  119.085   11.340   91.752   13.764 27.33350 17.83376 
1 1 1  -27    3   17 o   54.414   13.167  165.401  113.560  250.054  162.079   83.774  159.156   62.053   18.881   46.776   18.357 15.27733 26.33417 
1 1 1  -27    3   18 o  126.915   7.8407  1039.14  124.967  876.026  178.771  1195.02  174.757  117.009   12.031  136.820   10.058 -19.81052 15.68132 
1 1 1  -27    3   19 o  204.531   5.5007  2666.00  142.860  2628.09  202.341  2703.69  201.730  203.075   7.8461  205.988   7.7117 -2.912949 11.00143 
1 1 1  -27    3   20 o  249.219   4.7065  3860.02  134.501  3739.79  157.948  4177.20  256.549  242.477   5.1294  255.961   7.8926 -13.48351 9.412928 
1 1 1  -27    3   21 o   71.434   12.144  357.235  104.695  394.007  124.272  267.317  194.328   78.319   12.495   64.550   20.827 13.76923 24.28754 
1 1 1  -27    3   22 o   90.238   11.247  579.380  108.753  628.580  128.038  451.961  206.052   99.060   10.178   81.417   20.059 17.64230 22.49379 
1 1 1  -27    3   23 o   52.612   13.127  153.945  104.454  133.029  128.007  195.626  180.704   47.926   16.901   57.298   20.091 -9.371975 26.25397 
1 1 1  -27    3   24 o   87.260   11.240  565.279  103.382  629.758  120.987  390.814  199.013   99.082   9.6154   75.437   20.319 23.64446 22.47928 
1 1 1  -27    3   25 o  431.082   5.6242 12104.66  302.259 13605.03  408.686 10293.03  449.081  461.488   6.9735  400.677   8.8258 60.81113 11.24830 
1 1 1  -27    3   26 o   69.080   13.320  352.465  115.705  399.163  133.606  212.380  231.404   77.097   14.168   61.062   22.561 16.03584 26.64085 
1 1 1  -27    3   27 o   84.241   13.860  399.381  139.068  244.943  163.022  812.131  266.509   60.373   19.034  108.109   20.153 -47.73595 27.72077 
1 1 1  -27    3   28 o  114.213   7.8287  844.445  111.184  1096.85  164.441  631.882  150.905  130.123   9.9513   98.302   12.088 31.82127 15.65739 
1 1 1  -27    3   29 o   33.975   10.936 -80.3627  105.340 -148.3236  156.015 -23.4232  142.805   31.806   14.976   36.144   15.940 -4.337818 21.87110 
1 1 1  -27    3   30 o   28.018   9.5806 -195.2364   98.632 -179.6973  161.565 -204.4680  124.530   31.008   14.785   25.028   12.188 5.980095 19.16125 
1 1 1  -27    3   32 o   48.607   12.449  145.807  108.547  277.263  155.075   19.528  151.990   59.210   18.548   38.004   16.611 21.20539 24.89852 
1 1 1  -27    3   33 o   26.417   12.980 -244.0651  150.912   0.0000   0.0000 -244.0651  150.912  ?   ?    26.417   12.980      ?      ? 
1 1 1  -27    5    1 o  365.000   5.2874  8461.59  245.084  8461.59  245.084   0.0000   0.0000  365.000   5.2874  ?   ?       ?      ? 
1 1 1  -27    5    2 o  739.709   6.0748 34768.48  570.641 34970.20  806.232 34565.98  807.786  741.861   8.5578  737.557   8.6243 4.304199 12.14964 
1 1 1  -27    5    3 o  376.699   5.4860  9012.84  262.437  9012.84  262.437   0.0000   0.0000  376.699   5.4860  ?   ?       ?      ? 
1 1 1  -27    5    4 o  270.993   3.9495  4635.05  135.011  4427.09  179.227  4907.88  205.283  264.013   5.3456  277.973   5.8153 -13.95953 7.898969 
1 1 1  -27    5    5 o  478.921   6.2356 14569.37  379.248 14569.37  379.248   0.0000   0.0000  478.921   6.2356  ?   ?       ?      ? 
1 1 1  -27    5    6 o  448.396   4.3567 12777.46  247.803 12910.98  343.410 12632.41  357.935  450.846   5.9980  445.946   6.3204 4.899200 8.713407 
1 1 1  -27    5    7 o  283.641   4.0007  5122.36  143.740  5347.98  199.273  4877.64  207.536  290.172   5.4077  277.111   5.8974 13.06134 8.001456 
1 1 1  -27    5    8 o  252.776   4.1913  4063.57  134.250  4141.68  184.891  3976.48  195.248  255.352   5.7016  250.200   6.1450 5.151428 8.382691 
1 1 1  -27    5    9 o  108.453   7.5804  754.156  103.313  869.228  145.007  635.526  147.232  116.939   9.7646   99.968   11.597 16.97056 15.16072 
1 1 1  -27    5   10 o   70.295   10.748  326.890   96.387  196.742  136.150  457.656  136.473   55.779   17.364   84.811   12.671 -29.03167 21.49582 
1 1 1  -27    5   11 o  447.496   4.5550 12728.02  258.113 12784.53  352.388 12662.61  379.132  448.579   6.1859  446.413   6.6877 2.166504 9.109931 
1 1 1  -27    5   12 o  441.072   4.5167 12355.60  252.508 12243.63  345.850 12483.42  369.526  438.944   6.2044  443.200   6.5655 -4.256500 9.033305 
1 1 1  -27    5   13 o  205.674   4.7589  2674.71  123.957  2461.23  168.322  2927.69  183.230  196.755   6.7365  214.592   6.7236 -17.83693 9.517797 
1 1 1  -27    5   14 o  191.441   5.1276  2332.63  124.606  2277.49  177.347  2386.38  175.113  189.199   7.3812  193.682   7.1195 -4.483810 10.25522 
1 1 1  -27    5   15 o  331.584   4.3557  6996.26  183.314  7115.25  256.490  6872.02  262.091  334.478   6.0384  328.690   6.2790 5.788452 8.711382 
1 1 1  -27    5   16 o   44.108   12.350   68.736  101.292   74.446  158.753   64.815  131.549   46.011   18.245   42.206   16.649 3.805183 24.70000 
1 1 1  -27    5   17 o  114.620   7.5055  883.504  101.257  980.358  126.234  708.740  169.569  124.043   8.0136  105.197   12.693 18.84612 15.01103 
1 1 1  -27    5   18 o  236.075   4.3993  3545.74  123.459  3543.68  150.167  3550.05  216.869  236.064   5.0092  236.086   7.2335 -0.2162170E-01 8.798623 
1 1 1  -27    5   19 o  180.198   4.8593  2081.28  106.538  2115.03  133.422  2021.91  176.979  182.309   5.7629  178.087   7.8255 4.222641 9.718527 
1 1 1  -27    5   20 o  122.810   7.3928  996.703  105.290  1048.16  127.379  885.701  187.082  128.193   7.8245  117.427   12.545 10.76608 14.78552 
1 1 1  -27    5   21 o  145.176   6.5465  1386.89  112.392  1464.59  138.276  1235.63  192.937  151.547   7.1849  138.805   10.945 12.74199 13.09290 
1 1 1  -27    5   22 o  162.899   6.0210  1714.65  119.297  1762.28  149.850  1632.22  197.134  166.192   7.1001  159.605   9.7261 6.587433 12.04194 
1 1 1  -27    5   23 o  140.245   6.5815  1291.87  112.958  1400.13  145.583  1128.10  179.057  148.013   7.7452  132.478   10.643 15.53499 13.16299 
1 1 1  -27    5   24 o  180.458   11.579  2300.17  175.016  431.344  226.240  5085.24  276.187   78.921   21.836  281.995   7.7123 -203.0744 23.15761 
1 1 1  -27    5   25 o   35.553   11.500 -141.3326  114.709 -225.7212  145.957  -5.0111  185.510   28.005   13.533   43.102   18.597 -15.09629 22.99983 
1 1 1  -27    5   26 o   64.715   13.257  299.828  118.547  366.740  146.940  175.085  200.631   73.192   16.234   56.238   20.962 16.95367 26.51304 
1 1 1  -27    5   27 o   61.864   14.284  259.710  128.501  283.063  164.281  222.901  206.252   63.923   18.911   59.806   21.414 4.117260 28.56890 
1 1 1  -27    5   28 o   37.943   12.352 -103.3365  131.458 -86.4622  162.681 -135.0887  223.157   35.479   16.205   40.407   18.647 -4.927395 24.70423 
1 1 1  -27    5   29 o   56.833   13.548   71.758  138.978 -162.0514  173.495  490.471  232.173   33.302   15.714   80.364   22.073 -47.06186 27.09548 
1 1 1  -27    5   30 o  ?   ?  -1176.6470  177.027 -1176.6470  177.027   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -27    5   31 o   34.215   15.061  -3.3567  126.915   0.0000   0.0000  -3.3567  126.915  ?   ?    34.215   15.061      ?      ? 
1 1 1  -27    5   32 o   25.682   12.529 -200.3635  133.313   0.0000   0.0000 -200.3635  133.313  ?   ?    25.682   12.529      ?      ? 
1 1 1  -27    7    1 o  284.152   3.8331  5138.93  136.918  5203.11  181.794  5054.81  208.129  286.214   5.0016  282.090   5.8099 4.123688 7.666230 
1 1 1  -27    7    2 o  841.619   6.8196 45026.45  728.864 45399.61  1031.70 44654.63  1029.84  845.103   9.6132  838.135   9.6756 6.968506 13.63929 
1 1 1  -27    7    3 o  104.818   6.5077  690.913   85.803  648.120  112.498  750.425  132.667  100.984   8.7723  108.652   9.6150 -7.668060 13.01544 
1 1 1  -27    7    4 o  352.172   5.3348  7877.87  238.589  7877.87  238.589   0.0000   0.0000  352.172   5.3348  ?   ?       ?      ? 
1 1 1  -27    7    5 o  412.159   5.7494 10790.96  300.932 10790.96  300.932   0.0000   0.0000  412.159   5.7494  ?   ?       ?      ? 
1 1 1  -27    7    6 o  357.216   4.0375  8071.01  182.092  7801.77  242.999  8415.80  274.992  350.457   5.4600  363.974   5.9494 -13.51620 8.075062 
1 1 1  -27    7    7 o  375.531   4.2379  8958.68  201.054  8953.52  270.841  8965.01  300.067  375.421   5.6809  375.641   6.2902 -0.2203369 8.475847 
1 1 1  -27    7    8 o  261.716   4.1914  4354.20  138.567  4375.21  186.848  4328.53  206.558  262.426   5.6066  261.006   6.2318 1.420380 8.382714 
1 1 1  -27    7    9 o  187.370   4.5982  2234.44  109.058  2275.48  149.145  2187.29  159.875  189.229   6.2065  185.510   6.7863 3.717987 9.196434 
1 1 1  -27    7   10 o  308.516   4.1757  6035.94  162.700  5927.35  218.032  6172.39  244.405  305.405   5.6217  311.626   6.1759 -6.221893 8.351332 
1 1 1  -27    7   11 o  208.992   4.4848  2777.89  118.956  2805.30  165.863  2748.85  170.700  210.059   6.2177  207.924   6.4647 2.134567 8.969528 
1 1 1  -27    7   12 o  322.642   4.1834  6608.23  154.605  6594.12  182.643  6643.90  290.384  322.131   4.4647  323.152   7.0760 -1.020599 8.366813 
1 1 1  -27    7   13 o  148.372   5.4086  1402.95   95.861  1405.78  117.217  1397.26  166.574  148.664   6.2088  148.080   8.8580 0.5844727 10.81723 
1 1 1  -27    7   14 o   81.232   9.1707  426.522   86.964  421.407  106.517  436.747  150.602   81.255   10.323   81.209   15.161 0.4634857E-01 18.34142 
1 1 1  -27    7   15 o  146.011   5.3492  1353.73   94.929  1343.94  118.017  1371.68  159.778  145.327   6.3947  146.694   8.5769 -1.366257 10.69836 
1 1 1  -27    7   16 o  210.946   4.4213  2899.82  109.904  3025.57  134.248  2644.26  191.380  218.141   4.8461  203.750   7.3964 14.39079 8.842604 
1 1 1  -27    7   17 o   72.518   10.316  357.938   88.988  389.851  111.223  301.170  148.343   78.045   11.222   66.990   17.312 11.05509 20.63122 
1 1 1  -27    7   18 o  235.193   4.4701  3529.25  125.205  3542.83  152.725  3501.44  218.645  235.998   5.0960  234.388   7.3456 1.610428 8.940152 
1 1 1  -27    7   19 o  122.764   6.5993  948.886   98.883  912.898  122.758  1015.38  166.867  119.602   8.0822  125.926   10.435 -6.323608 13.19865 
1 1 1  -27    7   20 o  106.603   8.1863  769.060  103.204  863.176  129.831  607.508  170.100  116.200   8.7982   97.006   13.808 19.19361 16.37266 
1 1 1  -27    7   21 o   89.318   9.0599  521.857  100.976  563.075  134.512  468.639  152.841   93.572   11.320   85.064   14.149 8.508423 18.11970 
1 1 1  -27    7   22 o  159.790   5.7956  1617.55  112.727  1579.32  139.896  1688.34  190.353  157.283   7.0040  162.297   9.2358 -5.013565 11.59117 
1 1 1  -27    7   23 o  424.176   5.4306 11001.63  270.008 10265.13  319.960 12823.60  503.244  401.105   6.2815  447.246   8.8604 -46.14114 10.86111 
1 1 1  -27    7   24 o  114.241   9.0118  793.451  126.163  649.009  155.508  1071.60  215.796  100.089   12.235  128.393   13.235 -28.30413 18.02368 
1 1 1  -27    7   25 o   62.299   14.202  237.837  125.602  172.191  157.435  352.778  208.322   53.259   18.747   71.340   21.339 -18.08072 28.40447 
1 1 1  -27    7   26 f   50.403   14.044  102.930  129.251   60.320  163.380  174.204  211.305   44.398   18.185   56.407   21.407 -12.00835 28.08810 
1 1 1  -27    7   27 o   63.724   14.369  254.995  132.238  155.978  167.801  417.269  214.814   51.708   19.191   75.739   21.392 -24.03011 28.73858 
1 1 1  -27    7   28 o   49.246   13.878  108.151  127.101   70.313  160.335  172.141  208.506   43.913   18.003   54.579   21.125 -10.66623 27.75546 
1 1 1  -27    7   29 o   33.437   12.004 -637.6337  177.458 -394.9301  342.251 -726.8753  207.535   42.253   20.491   24.622   12.510 17.63140 24.00780 
1 1 1  -27    7   30 o   46.361   14.368 -38.0538  187.822 -526.3272  324.952  206.908  230.163   37.528   18.554   55.194   21.943 -17.66638 28.73556 
1 1 1  -27    7   31 o   64.998   16.949  330.806  141.348   0.0000   0.0000  330.806  141.348  ?   ?    64.998   16.949      ?      ? 
1 1 1  -27    9    1 o   63.446   10.068  279.448   81.331  361.838  106.514  164.245  125.951   75.343   11.132   51.550   16.779 23.79369 20.13573 
1 1 1  -27    9    2 o  240.156   4.0053  3676.18  120.347  3728.75  157.853  3603.21  185.976  242.233   5.1315  238.079   6.1512 4.154495 8.010544 
1 1 1  -27    9    3 o   56.505   10.473  213.226   76.674  246.035  104.658  175.214  112.651   60.871   13.851   52.139   15.714 8.732121 20.94654 
1 1 1  -27    9    4 o  364.440   4.0875  8414.33  187.369  8248.31  247.300  8638.08  287.089  360.257   5.4055  368.622   6.1328 -8.365723 8.174981 
1 1 1  -27    9    5 o  161.946   5.1303  1674.08  104.538  1715.27  139.699  1621.66  157.590  164.238   6.6980  159.653   7.7727 4.585220 10.26052 
1 1 1  -27    9    6 o  215.171   3.9910  2780.37   98.333  2588.02  114.496  3321.09  191.966  201.817   4.4674  228.525   6.6147 -26.70808 7.981999 
1 1 1  -27    9    7 o  271.477   4.0099  4632.40  122.496  4572.47  142.758  4799.70  238.535  268.260   4.1905  274.693   6.8380 -6.432587 8.019858 
1 1 1  -27    9    8 o  181.707   4.5585  1994.62   95.684  1860.37  112.118  2354.53  183.575  171.074   5.1607  192.340   7.5157 -21.26521 9.116927 
1 1 1  -27    9    9 o  369.350   4.3793  8750.60  183.086  8841.38  215.366  8514.00  347.674  372.980   4.5469  365.720   7.4859 7.259705 8.758628 
1 1 1  -27    9   10 o  155.440   4.9949  1551.93   90.355  1573.79  108.392  1502.14  163.574  157.325   5.4253  153.555   8.3883 3.770477 9.989844 
1 1 1  -27    9   11 o  290.749   4.1377  5277.57  137.677  5153.00  161.728  5605.47  262.393  284.735   4.4727  296.763   6.9625 -12.02832 8.275325 
1 1 1  -27    9   12 o   83.881   8.6839  402.711   85.916  331.338  101.139  587.720  162.835   72.006   11.060   95.757   13.391 -23.75130 17.36783 
1 1 1  -27    9   13 o  210.286   4.2020  2855.08  105.477  2940.92  129.848  2688.57  180.849  215.076   4.7541  205.495   6.9300 9.580536 8.403969 
1 1 1  -27    9   14 o  176.253   4.5780  1897.89   97.348  1740.25  118.206  2230.15  171.611  165.392   5.6279  187.113   7.2221 -21.72165 9.155975 
1 1 1  -27    9   15 o  214.371   4.4010  2939.20  110.797  2962.09  133.644  2888.88  198.143  215.817   4.8762  212.925   7.3278 2.892334 8.801944 
1 1 1  -27    9   16 o  360.812   4.6776  8270.66  204.516  8220.91  253.419  8363.58  346.338  359.426   5.5520  362.198   7.5297 -2.771912 9.355280 
1 1 1  -27    9   17 o   52.801   11.951  180.272   91.820  216.944  116.410  119.891  149.372   57.002   15.619   48.600   18.092 8.402348 23.90157 
1 1 1  -27    9   18 o   56.158   11.972  212.247   92.508  244.262  115.024  153.615  155.662   60.265   15.069   52.050   18.607 8.214977 23.94372 
1 1 1  -27    9   19 o  296.679   4.4202  5653.37  156.929  5742.02  192.921  5479.98  269.796  300.340   5.0581  293.019   7.2504 7.320831 8.840414 
1 1 1  -27    9   20 o  126.933   7.0534  1017.10  108.426  979.559  133.364  1090.31  186.217  123.722   8.4882  130.144   11.267 -6.421753 14.10677 
1 1 1  -27    9   21 o   76.398   10.620  157.707  127.790 -168.7454  151.309  969.840  238.654   30.899   14.609  121.897   15.417 -90.99789 21.23956 
1 1 1  -27    9   22 o   38.776   12.445 -91.1505  130.195 -82.0168  167.123 -105.2517  207.654   36.832   16.666   40.721   18.486 -3.888882 24.88907 
1 1 1  -27    9   23 o   47.453   13.449   77.276  127.474  156.255  153.242 -100.1507  229.685   51.630   18.461   43.276   19.563 8.354336 26.89874 
1 1 1  -27    9   24 o   35.299   11.557 -182.9013  118.956 -282.7453  148.962  -7.1571  197.631   26.579   13.026   44.019   19.094 -17.44019 23.11341 
1 1 1  -27    9   25 o   50.318   13.599  104.531  122.870   23.139  158.535  226.965  194.440   41.257   17.479   59.379   20.839 -18.12186 27.19888 
1 1 1  -27    9   26 o   50.372   13.675  120.066  126.126   38.768  171.188  216.597  186.537   43.223   18.229   57.521   20.389 -14.29791 27.35023 
1 1 1  -27    9   27 o   55.969   15.019  192.968  162.126 -382.5490  393.873  310.370  177.895   47.026   22.599   64.912   19.788 -17.88664 30.03809 
1 1 1  -27    9   28 o  189.971   14.070  3188.50  241.039  386.540  331.400  6335.70  351.223   69.372   26.693  310.570   8.9052 -241.1987 28.13905 
1 1 1  -27    9   29 o   40.965   13.479 -96.3107  168.849 -112.9497  257.448 -83.7510  223.674   41.826   19.548   40.104   18.563 1.722584 26.95768 
1 1 1  -27    9   30 f   44.166   13.899   44.904  156.330   30.042  210.838   63.053  232.987   42.720   19.072   45.611   20.224 -2.890915 27.79894 
1 1 1  -27   11    1 o   95.602   6.3500  575.419   69.802  565.710   82.392  600.104  131.385   94.274   6.8821   96.930   10.674 -2.656776 12.69990 
1 1 1  -27   11    2 o  458.345   4.8286 13291.73  243.194 13213.24  280.328 13530.53  488.955  455.899   4.8419  460.791   8.3558 -4.892059 9.657296 
1 1 1  -27   11    3 o   65.776   9.0901  264.009   67.939  231.109   80.210  347.547  127.811   59.200   11.076   72.353   14.416 -13.15267 18.18014 
1 1 1  -27   11    4 o   60.532   10.169  214.745   70.435  176.165   81.935  323.987  137.872   51.449   12.633   69.616   15.939 -18.16702 20.33821 
1 1 1  -27   11    5 o  183.371   4.2260  2125.20   91.521  2101.78  110.390  2176.68  163.677  181.827   4.7807  184.915   6.9701 -3.087219 8.452075 
1 1 1  -27   11    6 o  187.215   4.4330  2234.05   94.265  2238.86  110.889  2221.49  178.993  187.668   4.6529  186.762   7.5469 0.9053345 8.865963 
1 1 1  -27   11    7 f  184.085   4.3369  2146.46   92.933  2132.05  110.916  2180.39  170.248  183.128   4.7694  185.042   7.2450 -1.913574 8.673901 
1 1 1  -27   11    8 o  265.614   4.0716  4453.13  125.474  4403.03  149.225  4574.02  231.808  263.183   4.4648  268.044   6.8099 -4.861389 8.143102 
1 1 1  -27   11    9 o  133.448   5.6769  1110.28   90.593  1064.43  109.802  1208.06  160.330  129.304   6.6868  137.592   9.1758 -8.287842 11.35384 
1 1 1  -27   11   10 o  147.186   5.6120  1385.30  104.494  1512.57  146.984  1255.26  148.582  154.072   7.5122  140.300   8.3394 13.77242 11.22403 
1 1 1  -27   11   11 o  155.013   4.9415  1516.27   90.809  1491.26  109.761  1570.54  161.664  153.092   5.6457  156.935   8.1117 -3.843719 9.883043 
1 1 1  -27   11   12 o  168.662   4.9090  1770.54   99.165  1692.18  120.305  1936.62  175.150  163.059   5.8098  174.266   7.9144 -11.20692 9.817954 
1 1 1  -27   11   13 o  295.351   4.2989  5661.26  147.807  5833.27  178.149  5281.29  264.772  302.858   4.6320  287.845   7.2433 15.01349 8.597716 
1 1 1  -27   11   14 o  146.614   5.6352  1390.00   96.948  1420.98  117.330  1323.35  172.121  149.369   6.1854  143.859   9.4215 5.509888 11.27048 
1 1 1  -27   11   15 o  178.218   5.1045  2024.97  108.436  2023.28  132.238  2028.44  189.455  178.243   5.8421  178.193   8.3722 0.4968262E-01 10.20896 
1 1 1  -27   11   16 o  172.847   5.4170  1983.95  110.886  2148.96  137.751  1680.20  186.893  183.661   5.9061  162.032   9.0827 21.62914 10.83406 
1 1 1  -27   11   17 o   75.740   10.920  388.045  101.516  424.125  133.072  337.817  157.010   81.022   12.933   70.458   17.599 10.56406 21.84039 
1 1 1  -27   11   18 o  105.946   8.6125  681.703  105.711  625.905  123.882  831.168  202.753   98.743   9.8793  113.149   14.110 -14.40656 17.22506 
1 1 1  -27   11   19 o  462.988   5.3843 13630.78  273.440 13555.60  315.034 13860.44  550.602  461.231   5.3785  464.746   9.3292 -3.514557 10.76858 
1 1 1  -27   11   20 o   35.882   11.663 -93.5484  113.595 -60.6713  135.322 -171.9928  209.027   33.573   15.111   38.191   17.770 -4.618191 23.32635 
1 1 1  -27   11   21 o   69.384   13.915  310.505  121.752  265.660  147.242  407.455  216.496   62.390   17.742   76.379   21.442 -13.98867 27.83031 
1 1 1  -27   11   22 o   62.822   12.893  272.612  118.387  394.396  157.700  115.349  179.204   75.642   16.849   50.001   19.520 25.64101 25.78550 
1 1 1  -27   11   23 o   59.540   13.131  240.752  126.206  375.015  159.037   12.390  207.411   73.290   17.355   45.789   19.711 27.50104 26.26261 
1 1 1  -27   11   24 o   43.778   13.858 -105.3801  151.195   90.066  262.652 -202.2431  184.904   53.990   22.665   33.567   15.952 20.42330 27.71576 
1 1 1  -27   11   25 o   71.864   17.845  290.806  178.167  654.831  373.533  183.596  202.713   88.691   28.896   55.037   20.948 33.65403 35.69020 
1 1 1  -27   11   26 o   48.932   19.873 -361.7817  151.727  117.438  193.069 -1135.7340  245.359   48.932   19.873  ?   ?       ?      ? 
1 1 1  -27   11   27 o   34.882   11.894 -354.7326  164.326 -660.3019  235.102 -62.8587  229.773   27.967   14.107   41.797   19.153 -13.83054 23.78751 
1 1 1  -27   11   28 o   45.355   13.900   66.244  147.191  133.226  223.009   14.541  195.928   49.299   20.800   41.412   18.444 7.887272 27.79969 
1 1 1  -27   11   29 o   47.311   14.313  116.965  157.628   9.7627  227.489  215.967  218.615   42.275   19.252   52.346   21.186 -10.07114 28.62690 
1 1 1  -27   13    1 o  117.662   5.4026  855.286   75.433  809.416   90.543  959.364  136.385  112.743   6.3240  122.582   8.7612 -9.838638 10.80513 
1 1 1  -27   13    2 o  355.870   4.2506  7940.05  168.996  7809.18  196.002  8319.25  333.626  350.453   4.4041  361.287   7.2716 -10.83469 8.501296 
1 1 1  -27   13    3 o  221.509   4.1914  3146.36  105.760  3176.12  124.873  3070.87  198.917  223.499   4.3996  219.519   7.1355 3.980301 8.382831 
1 1 1  -27   13    4 o  129.773   5.1639  1049.96   78.353  1015.18   93.272  1133.36  144.427  126.291   5.8157  133.254   8.5347 -6.962921 10.32781 
1 1 1  -27   13    5 o  286.081   4.0901  5149.44  133.376  5075.30  156.611  5345.17  254.469  282.525   4.3650  289.638   6.9183 -7.112183 8.180284 
1 1 1  -27   13    6 f  208.031   4.4691  2849.45  106.374  2984.87  127.295  2536.00  193.670  216.643   4.6269  199.418   7.6475 17.22540 8.938245 
1 1 1  -27   13    7 o  301.485   4.4565  5780.08  170.621  5780.08  170.621   0.0000   0.0000  301.485   4.4565  ?   ?       ?      ? 
1 1 1  -27   13    8 o  303.562   4.1761  5917.05  148.724  5999.91  179.534  5735.84  265.505  307.141   4.6029  299.984   6.9694 7.157043 8.352241 
1 1 1  -27   13    9 o   42.915   11.263   93.909   82.365  126.791  102.192   32.951  139.142   45.434   15.129   40.397   16.690 5.036945 22.52635 
1 1 1  -27   13   10 o  214.266   4.3376  2929.82  111.442  2940.64  136.843  2908.51  192.029  214.970   5.0127  213.562   7.0805 1.407120 8.675252 
1 1 1  -27   13   11 o  222.615   4.5303  3194.14  120.924  3270.58  149.289  3048.30  206.204  226.676   5.1861  218.555   7.4295 8.120575 9.060522 
1 1 1  -27   13   12 o  117.576   6.7024  928.215   90.232  994.900  108.883  782.016  161.220  124.887   6.8654  110.266   11.513 14.62178 13.40484 
1 1 1  -27   13   13 o  123.303   6.8001  1011.75  100.283  1104.40  126.139  852.594  165.326  131.493   7.5539  115.113   11.309 16.38012 13.60011 
1 1 1  -27   13   14 o  173.469   5.4177  1946.28  108.167  1979.37  128.873  1867.40  198.976  176.237   5.7582  170.701   9.1788 5.535767 10.83547 
1 1 1  -27   13   15 o   69.945   11.752  252.422   98.125  142.709  113.699  572.638  194.245   47.863   15.959   92.026   17.255 -44.16271 23.50400 
1 1 1  -27   13   16 o  394.811   5.2819 10273.52  253.846 11277.88  326.328  8734.54  403.950  420.455   6.1116  369.167   8.6164 51.28821 10.56385 
1 1 1  -27   13   17 o   35.464   11.460 -138.1537  110.361 -212.7537  136.270   4.0402  188.135   27.016   13.060   43.912   18.835 -16.89508 22.91953 
1 1 1  -27   13   18 o  155.307   6.8054  1480.05  127.789  1333.55  155.249  1787.87  225.037  144.173   8.4795  166.442   10.647 -22.26903 13.61076 
1 1 1  -27   13   19 o  123.977   7.9620  975.616  123.850  868.040  160.666  1133.15  194.423  115.802   10.925  132.152   11.585 -16.35024 15.92397 
1 1 1  -27   13   20 f   78.661   12.821  416.898  123.637  349.110  158.123  523.542  198.329   70.757   17.655   86.564   18.596 -15.80702 25.64168 
1 1 1  -27   13   21 o   42.319   12.594   1.0737  125.117  122.154  161.491 -180.7371  197.889   48.624   18.652   36.013   16.929 12.61063 25.18850 
1 1 1  -27   13   22 o   51.959   14.431  123.425  151.013 -150.3504  277.621  238.473  179.967   44.856   20.735   59.061   20.077 -14.20439 28.86218 
1 1 1  -27   13   23 o   64.720   16.093  303.142  160.533  285.499  272.424  312.528  198.696   64.362   24.335   65.078   21.066 -0.7166748 32.18687 
1 1 1  -27   13   24 o   33.966   16.875 -779.7778  157.481 -877.0306  190.031 -566.5533  281.379  ?   ?    33.966   16.875      ?      ? 
1 1 1  -27   13   25 o   40.892   13.303 -103.5364  164.164 -255.1758  239.137   31.619  225.766   36.328   17.496   45.455   20.044 -9.126732 26.60608 
1 1 1  -27   13   26 f   34.228   11.801 -326.1747  170.439 -534.7291  262.692 -174.5551  223.983   31.892   15.918   36.563   17.427 -4.670469 23.60268 
1 1 1  -27   13   27 o   46.152   13.455   44.234  144.292 -181.5654  195.551  314.102  213.784   33.037   15.889   59.267   21.719 -26.22942 26.91066 
1 1 1  -27   15    1 o  164.422   5.0098  1746.87   97.749  1787.11  119.469  1665.36  170.018  167.484   5.6170  161.359   8.2971 6.124695 10.01956 
1 1 1  -27   15    2 o   46.783   11.800   90.067   85.872   34.315  103.036  216.863  155.386   35.654   14.503   57.912   18.617 -22.25816 23.59978 
1 1 1  -27   15    3 o   66.145   11.168  286.675   87.022  272.342  104.283  319.546  157.924   63.755   13.310   68.534   17.937 -4.778408 22.33566 
1 1 1  -27   15    4 o  186.426   4.9387  2203.25  106.260  2182.55  125.979  2254.27  197.815  185.117   5.3589  187.735   8.2973 -2.617966 9.877387 
1 1 1  -27   15    5 o  170.609   5.1920  1879.21  100.463  1904.93  118.453  1813.31  189.625  172.937   5.3936  168.281   8.8733 4.656769 10.38393 
1 1 1  -27   15    6 o  267.281   4.2971  4593.42  139.310  4690.83  174.049  4419.75  232.392  271.424   5.0495  263.138   6.9544 8.286041 8.594236 
1 1 1  -27   15    7 o  148.867   5.3021  1408.12   93.119  1394.95  112.288  1437.12  166.632  147.926   5.9774  149.807   8.7589 -1.880081 10.60410 
1 1 1  -27   15    8 o   34.903   10.755 -36.0580   83.009 -70.1456   99.177   43.681  151.687   27.318   12.542   42.487   17.476 -15.16883 21.51070 
1 1 1  -27   15    9 o  116.842   7.1578  743.394   95.150  598.539  108.925  1209.92  195.479   96.647   8.8749  137.037   11.233 -40.38953 14.31563 
1 1 1  -27   15   10 o  302.466   4.7640  5408.83  161.512  4975.68  185.318  6777.40  329.404  279.472   5.2216  325.460   7.9699 -45.98795 9.528073 
1 1 1  -27   15   11 o  158.751   7.7319  1725.63  143.866  2384.49  199.148  1006.48  208.059  192.973   8.1265  124.530   13.156 68.44357 15.46377 
1 1 1  -27   15   12 o   45.935   11.698   15.717   96.816 -109.1496  118.107  271.492  169.036   28.397   13.261   63.473   19.275 -35.07595 23.39635 
1 1 1  -27   15   13 o  240.090   4.8932  3624.99  143.555  3475.72  178.375  3899.41  241.858  233.380   6.0186  246.801   7.7168 -13.42035 9.786307 
1 1 1  -27   15   14 o  131.743   7.1207  1124.27  113.347  1137.66  140.716  1099.52  191.271  133.175   8.3204  130.312   11.558 2.863205 14.24148 
1 1 1  -27   15   15 o  240.564   4.8911  3664.54  142.984  3573.79  177.036  3834.78  242.488  236.578   5.8926  244.549   7.8081 -7.970535 9.782129 
1 1 1  -27   15   16 o  272.588   4.7724  4766.90  157.051  4789.01  194.350  4725.28  266.609  273.853   5.5884  271.323   7.7377 2.530640 9.544740 
1 1 1  -27   15   17 o   71.367   12.743  357.951  112.469  363.625  140.280  347.740  188.183   72.611   15.672   70.123   20.097 2.488029 25.48560 
1 1 1  -27   15   18 o   77.241   11.704  422.690  112.458  489.153  149.222  335.317  171.091   85.870   13.684   68.612   18.991 17.25803 23.40710 
1 1 1  -27   15   19 o   53.158   14.178  161.347  134.817   69.347  205.114  231.324  178.887   48.031   20.088   58.285   20.014 -10.25365 28.35637 
1 1 1  -27   15   20 o   58.289   14.343  240.219  138.090   72.401  241.422  321.821  168.348   50.417   21.472   66.162   19.022 -15.74508 28.68620 
1 1 1  -27   15   21 f   24.795   12.614 -777.2316  138.665 -775.7916  180.915 -779.2822  215.890  ?   ?    24.795   12.614      ?      ? 
1 1 1  -27   15   22 o   27.424   13.801 -858.9680  152.140 -1113.5950  212.438 -590.8676  217.986  ?   ?    27.424   13.801      ?      ? 
1 1 1  -27   15   23 o   34.518   11.764 -220.6615  146.867 -171.1089  237.372 -251.3969  186.946   38.134   18.108   30.902   15.022 7.231678 23.52850 
1 1 1  -27   15   24 f   57.426   13.866   78.498  157.934  629.472  252.952 -273.5095  202.185   83.415   23.092   31.436   15.357 51.97895 27.73239 
1 1 1  -27   15   25 o   50.599   22.356  164.677  282.212  164.677  282.212   0.0000   0.0000   50.599   22.356  ?   ?       ?      ? 
1 1 1  -27   17    1 o  157.423   6.0888  1656.13  108.657  1747.12  129.635  1441.25  199.224  165.409   6.1715  149.437   10.498 15.97147 12.17763 
1 1 1  -27   17    2 o  223.149   5.2331  3166.23  144.887  3090.86  185.050  3285.64  232.909  219.918   6.6260  226.380   8.1016 -6.462280 10.46612 
1 1 1  -27   17    3 o  151.203   5.7904  1397.91  103.773  1287.98  123.902  1656.20  189.931  141.929   6.8743  160.477   9.3198 -18.54834 11.58079 
1 1 1  -27   17    4 f  156.895   6.1849  1659.93  106.681  1750.72  125.144  1418.52  204.066  165.613   5.9503  148.176   10.845 17.43668 12.36976 
1 1 1  -27   17    5 f   65.265   12.690  289.395  101.409  290.620  119.458  286.234  191.868   65.365   14.742   65.165   20.660 0.1998291 25.38069 
1 1 1  -27   17    6 o  139.246   6.8945  1246.38  112.086  1242.05  134.285  1256.32  203.528  139.244   7.5940  139.249   11.509 -0.4959106E-02 13.78902 
1 1 1  -27   17    7 o  142.798   6.8474  1330.35  112.999  1354.76  135.137  1273.62  206.036  145.452   7.3160  140.144   11.577 5.308014 13.69481 
1 1 1  -27   17    8 o  104.353   8.6101  687.912  107.895  648.200  131.007  771.645  190.228  100.162   10.299  108.543   13.801 -8.380470 17.22012 
1 1 1  -27   17    9 o   66.132   11.674  330.120  104.061  425.134  126.611  132.315  182.681   80.759   12.345   51.505   19.818 29.25457 23.34874 
1 1 1  -27   17   10 f   68.132   12.320  308.766  103.655  268.894  128.792  382.083  174.646   62.423   16.131   73.840   18.626 -11.41687 24.64035 
1 1 1  -27   17   11 o   42.783   12.172   68.240   99.912   78.539  127.810   52.056  160.211   42.128   16.474   43.437   17.924 -1.308826 24.34476 
1 1 1  -27   17   12 o  144.594   6.8054  1354.19  114.372  1354.38  136.730  1353.76  208.710  145.187   7.4158  144.001   11.413 1.186768 13.61073 
1 1 1  -27   17   13 o   66.181   11.822  327.282  103.601  402.186  127.167  179.448  178.653   78.060   12.828   54.302   19.862 23.75741 23.64425 
1 1 1  -27   17   14 o  118.548   9.2656  930.584  139.212  981.552  204.967  886.938  189.673  121.478   13.286  115.619   12.918 5.859550 18.53129 
1 1 1  -27   17   15 o   42.069   12.331   53.833  108.078   85.610  139.275   5.7328  171.354   43.192   17.102   40.946   17.770 2.246346 24.66235 
1 1 1  -27   17   16 o   38.329   11.786 -34.6106  115.556   87.952  154.915 -188.3448  173.501   44.443   17.888   32.216   15.350 12.22738 23.57150 
1 1 1  -27   17   17 o   32.854   15.858 -539.8392  140.182 -821.4078  197.536 -254.1754  198.967  ?   ?    32.854   15.858      ?      ? 
1 1 1  -27   17   18 o  124.888   14.082  151.741  166.312  1080.95  223.341 -1004.8720  249.176  124.888   14.082  ?   ?       ?      ? 
1 1 1  -27   17   19 o  132.627   9.5428  1258.64  154.677  1041.65  237.873  1417.60  203.597  120.518   15.542  144.735   11.077 -24.21687 19.08562 
1 1 1  -27   17   20 o   37.610   12.341 -72.8474  137.972 -142.9889  232.158 -34.5459  171.555   38.272   18.096   36.947   16.784 1.325134 24.68136 
1 1 1  -27   17   21 o   50.753   14.423  188.062  142.050  169.498  216.231  202.157  188.409   50.059   20.753   51.447   20.034 -1.388226 28.84543 
1 1 1  -27   19    1 o   94.785   11.490  702.458  105.964  766.094  120.712  488.715  221.231  108.610   8.7519   80.961   21.249 27.64954 22.98098 
1 1 1  -27   19    2 o  125.069   8.6355  1077.45  112.262  1112.42  128.016  961.037  233.587  131.226   7.6819  118.911   15.469 12.31561 17.27096 
1 1 1  -27   19    3 o   84.705   11.972  619.317  109.149  733.872  126.240  280.070  217.243  106.147   9.3650   63.264   22.037 42.88383 23.94431 
1 1 1  -27   19    4 o  167.531   5.6435  1797.64  112.278  1764.99  135.980  1867.60  199.032  165.700   6.4621  169.363   9.2540 -3.662979 11.28693 
1 1 1  -27   19    5 o   93.691   10.360  625.450  109.465  672.659  134.133  531.315  189.409  101.269   10.430   86.113   17.904 15.15652 20.72056 
1 1 1  -27   19    6 o   83.852   11.874  544.238  113.053  623.952  136.277  368.280  202.468   97.297   11.029   70.408   21.032 26.88851 23.74818 
1 1 1  -27   19    7 f   42.812   12.383   70.215  105.789  113.746  125.589 -36.1282  196.293   44.418   16.579   41.205   18.399 3.213509 24.76652 
1 1 1  -27   19    8 o   50.108   13.047  112.288  103.007   47.105  121.363  280.212  194.795   38.041   15.637   62.176   20.889 -24.13483 26.09398 
1 1 1  -27   19    9 o  139.516   6.8734  1175.11  114.863  988.434  137.398  1608.39  209.322  123.036   8.7937  155.996   10.566 -32.96040 13.74681 
1 1 1  -27   19   10 o   70.470   13.488  371.665  111.036  376.644  125.662  353.932  237.143   73.252   14.019   67.688   23.047 5.563660 26.97601 
1 1 1  -27   19   11 o   43.475   13.586 -235.6031  129.629 -380.0304  146.159  296.766  280.613   23.282   11.658   63.669   24.544 -40.38751 27.17246 
1 1 1  -27   19   12 o   58.237   23.861  210.712  281.437   0.0000   0.0000  210.712  281.437  ?   ?    58.237   23.861      ?      ? 
1 1 1  -27   19   13 o   69.642   13.532  336.651  148.531   47.463  200.567  687.861  221.031   44.453   19.258   94.831   19.016 -50.37801 27.06437 
1 1 1  -27   19   14 o  160.584   7.3944  1741.32  150.065  1674.25  220.341  1799.34  204.943  157.167   11.040  164.001   9.8403 -6.833923 14.78872 
1 1 1  -27   19   15 o  100.428   10.326  712.273  130.260  810.348  203.283  643.951  169.669  105.761   15.136   95.095   14.050 10.66546 20.65143 
1 1 1  -27   19   16 o   37.547   12.178 -53.7159  134.434 -155.8027  206.321   21.602  177.218   35.220   16.770   39.874   17.662 -4.653408 24.35503 
1 1 1  -27   19   17 o   82.280   14.026  573.988  143.914  575.116  220.111  573.145  190.200   80.721   21.200   83.839   18.372 -3.118088 28.05254 
1 1 1  -27   21    1 o   46.240   17.639  144.856  143.926  144.856  143.926   0.0000   0.0000   46.240   17.639  ?   ?       ?      ? 
1 1 1  -27   21    2 o   40.523   16.756   75.772  140.410   75.772  140.410   0.0000   0.0000   40.523   16.756  ?   ?       ?      ? 
1 1 1  -27   21    3 o   33.702   15.104 -18.3776  133.574 -18.3776  133.574   0.0000   0.0000   33.702   15.104  ?   ?       ?      ? 
1 1 1  -27   21    4 o   51.381   14.318  166.687  123.519  131.155  143.445  268.592  242.928   45.063   17.499   57.698   22.668 -12.63511 28.63668 
1 1 1  -27   21    5 o   45.454   13.259  115.507  122.737  143.356  151.378   62.071  209.690   46.371   17.985   44.537   19.487 1.834198 26.51794 
1 1 1  -27   21    6 o  138.727   7.1840  1310.80  123.316  1328.35  158.641  1284.01  196.021  140.978   8.8611  136.477   11.310 4.501602 14.36793 
1 1 1  -27   21    7 o   38.628   11.713   43.644  104.897  104.383  122.377 -124.5828  203.664   41.275   16.126   35.980   16.993 5.294891 23.42630 
1 1 1  -27   21    8 o   86.546   11.729  588.945  109.131  605.932  127.030  541.087  213.223   93.927   10.650   79.165   20.901 14.76218 23.45790 
1 1 1  -27   21    9 f   33.520   10.810 -30.6706   95.713 -42.4925  116.939  -6.6776  166.594   29.921   13.694   37.119   16.731 -7.197250 21.62079 
1 1 1  -27   21   10 o   71.480   15.662  484.257  159.282  422.254  244.985  529.660  209.640   65.685   23.358   77.274   20.872 -11.58889 31.32414 
1 1 1  -26    0    1 o  614.064   5.1384 23958.37  566.493 23958.37  566.493 23958.37  566.493  614.064   7.2667  614.064   7.2667 -0.000000 0.000000 
1 1 1  -26    0    2 o   15.677   7.8715 -128.1174   94.199 -128.1174   94.199 -128.1174   94.199   15.677   11.132   15.677   11.132 -0.000000 0.000000 
1 1 1  -26    0    3 o  617.664   5.1777 24240.13  574.170 24240.13  574.170 24240.13  574.170  617.664   7.3223  617.664   7.3223 -0.000000 0.000000 
1 1 1  -26    0    4 o  481.396   4.3094 14724.20  372.441 14724.20  372.441 14724.20  372.441  481.396   6.0944  481.396   6.0944 -0.000000 0.000000 
1 1 1  -26    0    5 o  144.249   4.8052  1330.26  123.856  1330.26  123.856  1330.26  123.856  144.249   6.7956  144.249   6.7956 -0.000000 0.000000 
1 1 1  -26    0    6 o  662.315   5.5343 27872.71  658.086 27872.71  658.086 27872.71  658.086  662.315   7.8267  662.315   7.8267 -0.000000 0.000000 
1 1 1  -26    0    7 o  435.152   4.2773 12032.49  334.127 12032.49  334.127 12032.49  334.127  435.152   6.0490  435.152   6.0490 -0.000000 0.000000 
1 1 1  -26    0    8 o  582.324   5.0937 21546.49  532.525 21546.49  532.525 21546.49  532.525  582.324   7.2036  582.324   7.2036 -0.000000 0.000000 
1 1 1  -26    0    9 o  805.252   6.6215 41206.10  957.299 41206.10  957.299 41206.10  957.299  805.252   9.3642  805.252   9.3642 -0.000000 0.000000 
1 1 1  -26    0   10 o  548.877   4.9886 19143.29  491.569 19143.29  491.569 19143.29  491.569  548.877   7.0549  548.877   7.0549 -0.000000 0.000000 
1 1 1  -26    0   11 o  155.330   6.6861  1549.61  184.936  1549.61  184.936  1549.61  184.936  155.330   9.4556  155.330   9.4556 -0.000000 0.000000 
1 1 1  -26    0   12 o  125.042   7.5531  1014.93  166.773  1014.93  166.773  1014.93  166.773  125.042   10.682  125.042   10.682 -0.000000 0.000000 
1 1 1  -26    0   13 o   36.437   14.835  105.315  155.770  105.315  155.770  105.315  155.770   36.437   20.979   36.437   20.979 -0.000000 0.000000 
1 1 1  -26    0   14 o  107.864   8.5886  767.163  160.948  767.163  160.948  767.163  160.948  107.864   12.146  107.864   12.146 -0.000000 0.000000 
1 1 1  -26    0   15 o  242.551   4.8124  3746.04  209.258  3746.04  209.258  3746.04  209.258  242.551   6.8058  242.551   6.8058 -0.000000 0.000000 
1 1 1  -26    0   16 o  159.328   6.2996  1628.81  178.970  1628.81  178.970  1628.81  178.970  159.328   8.9089  159.328   8.9089 -0.000000 0.000000 
1 1 1  -26    0   17 o  181.218   5.7796  2100.72  187.231  2100.72  187.231  2100.72  187.231  181.218   8.1736  181.218   8.1736 -0.000000 0.000000 
1 1 1  -26    0   18 o   30.058   13.736  -3.4249  173.575  -3.4249  173.575  -3.4249  173.575   30.058   19.425   30.058   19.425 -0.000000 0.000000 
1 1 1  -26    0   19 o   30.599   13.942   1.4514  177.008   1.4514  177.008   1.4514  177.008   30.599   19.716   30.599   19.716 -0.000000 0.000000 
1 1 1  -26    0   20 o   20.656   10.467 -290.6266  181.698 -290.6266  181.698 -290.6266  181.698   20.656   14.802   20.656   14.802 -0.000000 0.000000 
1 1 1  -26    0   21 o  162.255   7.3322  1697.92  211.660  1697.92  211.660  1697.92  211.660  162.255   10.369  162.255   10.369 -0.000000 0.000000 
1 1 1  -26    0   22 o   75.173   16.571  455.116  196.123  455.116  196.123  455.116  196.123   75.173   23.434   75.173   23.434 -0.000000 0.000000 
1 1 1  -26    0   23 o  117.065   10.283  917.044  207.211  917.044  207.211  917.044  207.211  117.065   14.543  117.065   14.543 -0.000000 0.000000 
1 1 1  -26    0   24 o   18.030   8.9940 -137.1775  116.334 -137.1775  116.334 -137.1775  116.334   18.030   12.719   18.030   12.719 -0.000000 0.000000 
1 1 1  -26    0   25 o   21.592   10.303 -51.7674  116.052 -51.7674  116.052 -51.7674  116.052   21.592   14.570   21.592   14.570 -0.000000 0.000000 
1 1 1  -26    0   26 o   91.108   9.2790  564.071  142.677  564.071  142.677  564.071  142.677   91.108   13.122   91.108   13.122 -0.000000 0.000000 
1 1 1  -26    0   27 o   19.558   9.7619 -162.0662  137.708 -162.0662  137.708 -162.0662  137.708   19.558   13.805   19.558   13.805 -0.000000 0.000000 
1 1 1  -26    0   28 o   33.556   14.379   74.627  160.264   74.627  160.264   74.627  160.264   33.556   20.334   33.556   20.334 -0.000000 0.000000 
1 1 1  -26    0   29 o   54.762   16.077  278.659  157.478  278.659  157.478  278.659  157.478   54.762   22.737   54.762   22.737 -0.000000 0.000000 
1 1 1  -26    0   30 o   38.969   14.746  149.313  141.263  149.313  141.263  149.313  141.263   38.969   20.855   38.969   20.855 -0.000000 0.000000 
1 1 1  -26    0   32 o   21.250   10.396 -93.1093  135.465 -93.1093  135.465 -93.1093  135.465   21.250   14.702   21.250   14.702 -0.000000 0.000000 
1 1 1  -26    0   33 o   46.501   16.035  235.291  157.802  235.291  157.802  235.291  157.802   46.501   22.677   46.501   22.677 -0.000000 0.000000 
1 1 1  -26    2    1 o  605.633   7.2077 23300.69  554.346 23300.69  554.346   0.0000   0.0000  605.633   7.2077  ?   ?       ?      ? 
1 1 1  -26    2    2 o  541.462   4.6929 18612.74  322.529 18316.87  447.673 18932.07  465.073  536.993   6.5647  545.932   6.7082 -8.938782 9.385900 
1 1 1  -26    2    3 o  573.030   4.9070 20843.21  356.928 21388.63  514.063 20335.50  495.968  580.261   6.9761  565.799   6.9026 14.46307 9.813902 
1 1 1  -26    2    4 o  637.436   5.3652 25806.11  434.241 26244.04  620.695 25386.29  607.730  642.731   7.6045  632.142   7.5704 10.58911 10.73031 
1 1 1  -26    2    5 o  883.261   7.1034 49572.95  796.677 50178.40  1137.06 48989.13  1116.56  888.555   10.077  877.967   10.014 10.58795 14.20672 
1 1 1  -26    2    6 o  181.192   6.5906  2085.45  151.649   0.0000   0.0000  2085.45  151.649  ?   ?   181.192   6.5906      ?      ? 
1 1 1  -26    2    7 o  424.371   5.9434 11438.70  320.299 11438.70  320.299   0.0000   0.0000  424.371   5.9434  ?   ?       ?      ? 
1 1 1  -26    2    8 o  467.498   4.5093 13882.86  267.698 14049.70  378.727 13716.28  378.436  470.306   6.3412  464.690   6.4129 5.616028 9.018585 
1 1 1  -26    2    9 o  596.050   5.2415 22553.18  396.584 23189.95  570.871 21959.23  551.348  604.174   7.4404  587.926   7.3846 16.24835 10.48293 
1 1 1  -26    2   10 o  483.717   6.6612 14863.27  409.186 14863.27  409.186   0.0000   0.0000  483.717   6.6612  ?   ?       ?      ? 
1 1 1  -26    2   11 o  141.924   9.6398  1280.14  173.741  1280.14  173.741   0.0000   0.0000  141.924   9.6398  ?   ?       ?      ? 
1 1 1  -26    2   12 o  329.683   5.8366  6903.93  244.360  6903.93  244.360   0.0000   0.0000  329.683   5.8366  ?   ?       ?      ? 
1 1 1  -26    2   13 o   49.232   12.635   91.653  111.442 -33.3395  154.685  226.544  160.693   38.443   16.781   60.021   18.894 -21.57825 25.26998 
1 1 1  -26    2   14 f  218.188   4.9790  3016.44  137.691  3293.09  200.272  2768.45  189.613  227.650   6.9275  208.725   7.1535 18.92554 9.958021 
1 1 1  -26    2   15 o  165.957   5.7786  1751.34  121.524  1601.19  169.952  1908.43  173.835  158.671   8.4344  173.243   7.9014 -14.57237 11.55725 
1 1 1  -26    2   16 o  109.201   8.6008  776.514  116.480  600.387  167.857  940.095  161.768   96.943   13.635  121.459   10.488 -24.51511 17.20168 
1 1 1  -26    2   17 o  183.854   5.6860  2151.96  132.725  2167.13  190.086  2137.52  185.405  184.482   8.1137  183.226   7.9681 1.255524 11.37202 
1 1 1  -26    2   18 o   92.821   10.540  571.862  118.835  479.774  175.703  649.501  161.331   84.892   16.892  100.750   12.609 -15.85762 21.07944 
1 1 1  -26    2   19 o  179.578   6.2266  2059.47  141.772  1963.49  202.874  2151.07  198.198  175.457   9.1050  183.700   8.4960 -8.242554 12.45320 
1 1 1  -26    2   20 o  229.579   5.9747  3417.43  168.228  3129.25  269.595  3601.19  215.284  221.378   9.5896  237.781   7.1294 -16.40395 11.94945 
1 1 1  -26    2   21 o   64.864   12.033  258.139   92.892  222.433  109.486  349.880  175.498   57.675   14.857   72.052   18.933 -14.37715 24.06642 
1 1 1  -26    2   22 o  148.345   6.9828  1440.45  116.032  1479.55  136.332  1337.71  221.010  152.355   7.0463  144.335   12.058 8.019150 13.96558 
1 1 1  -26    2   23 o  114.179   8.2006  821.199  110.258  794.643  132.083  882.238  200.250  111.435   9.3336  116.923   13.486 -5.488609 16.40114 
1 1 1  -26    2   24 o   35.222   11.522 -104.5931  108.489 -95.4857  127.512 -128.4695  206.462   30.650   14.127   39.793   18.206 -9.143036 23.04398 
1 1 1  -26    2   25 o   96.971   10.603  716.894  104.317  824.060  123.208  445.570  196.043  113.442   8.5523   80.499   19.404 32.94351 21.20552 
1 1 1  -26    2   26 o   22.358   7.8675 -332.0045   89.976 -497.9011  139.751 -214.5515  117.589   20.667   10.476   24.050   11.740 -3.382544 15.73501 
1 1 1  -26    2   27 o   43.102   12.032   68.404   99.698   8.2847  146.358  120.453  136.181   39.194   16.706   47.011   17.319 -7.817192 24.06305 
1 1 1  -26    2   28 o  147.245   6.1058  1387.90  113.611  1470.30  171.061  1322.88  151.969  151.068   8.9166  143.423   8.3437 7.644760 12.21158 
1 1 1  -26    2   29 o   52.752   12.513  144.400  107.327  312.985  165.986   23.272  140.697   66.456   18.816   39.047   16.500 27.40911 25.02625 
1 1 1  -26    2   30 o   40.946   11.794   24.406  104.402  147.464  149.400 -93.0407  145.954   49.213   18.138   32.680   15.081 16.53267 23.58863 
1 1 1  -26    2   31 o  ?   ?  -891.0800  103.774 -998.0731  156.345 -806.8191  138.745  ?   ?   ?   ?       ?      ? 
1 1 1  -26    2   32 o   39.986   11.512   53.144  100.530 -87.7213  160.399  144.276  129.013   33.744   15.655   46.229   16.883 -12.48472 23.02410 
1 1 1  -26    2   33 o   39.978   12.068   57.449  108.477   80.729  155.337   35.289  151.552   41.583   17.442   38.374   16.683 3.208805 24.13559 
1 1 1  -26    4    1 o  581.977   4.9924 21513.68  368.953 21817.28  524.308 21215.87  519.284  586.044   7.0450  577.909   7.0757 8.134827 9.984817 
1 1 1  -26    4    2 o  579.283   6.9848 21316.58  513.831 21316.58  513.831   0.0000   0.0000  579.283   6.9848  ?   ?       ?      ? 
1 1 1  -26    4    3 o  297.582   3.8529  5630.08  145.168  5702.10  198.485  5547.24  212.865  299.634   5.2163  295.531   5.6718 4.103394 7.705772 
1 1 1  -26    4    4 o  613.112   5.2383 23878.34  407.826 24280.81  579.403 23483.15  574.138  618.233   7.3799  607.991   7.4360 10.24194 10.47652 
1 1 1  -26    4    5 o  611.880   7.3484 23784.39  571.000 23784.39  571.000   0.0000   0.0000  611.880   7.3484  ?   ?       ?      ? 
1 1 1  -26    4    7 o  152.174   5.8504  1470.18  112.951  1382.15  157.526  1563.32  162.043  147.488   8.4104  156.861   8.1347 -9.372391 11.70075 
1 1 1  -26    4    8 o  136.652   6.2190  1186.69  107.862  1189.81  150.153  1183.37  155.045  136.839   8.6407  136.465   8.9466 0.3739319 12.43799 
1 1 1  -26    4    9 o  742.891   8.6784 35068.39  818.734 35068.39  818.734   0.0000   0.0000  742.891   8.6784  ?   ?       ?      ? 
1 1 1  -26    4   10 o  379.205   5.7917  9133.68  278.905  9133.68  278.905   0.0000   0.0000  379.205   5.7917  ?   ?       ?      ? 
1 1 1  -26    4   11 o  607.798   5.3373 23473.38  411.765 23543.55  573.965 23398.98  591.058  608.740   7.4247  606.856   7.6695 1.884216 10.67458 
1 1 1  -26    4   12 o  398.924   4.3318 10087.71  218.586  9875.95  294.921 10345.84  325.607  394.296   5.8899  403.553   6.3535 -9.256897 8.663599 
1 1 1  -26    4   13 f  550.632   5.0300 19273.56  351.472 19442.34  489.008 19093.19  505.515  553.136   6.9616  548.128   7.2623 5.007874 10.06004 
1 1 1  -26    4   14 o  290.111   4.3794  5323.49  160.481  5119.78  214.436  5582.84  241.956  283.842   5.9490  296.380   6.4285 -12.53821 8.758780 
1 1 1  -26    4   15 o  104.602   8.1988  700.932  108.374  631.996  155.089  766.717  151.503   99.526   12.271  109.678   10.877 -10.15226 16.39770 
1 1 1  -26    4   16 o  219.832   4.9430  3074.03  137.975  3020.86  193.280  3129.28  197.025  217.895   6.9849  221.770   6.9959 -3.875046 9.885931 
1 1 1  -26    4   17 o   78.774   11.560  400.738  116.320  652.048  174.099  198.100  156.333  100.894   13.588   56.655   18.705 44.23824 23.11968 
1 1 1  -26    4   18 o  112.057   7.4153  768.926  102.433  674.321  127.560  940.690  171.880  102.795   9.7716  121.320   11.156 -18.52489 14.83057 
1 1 1  -26    4   19 o   68.288   10.985  343.114   95.442  444.233  118.976  160.575  159.852   83.335   11.242   53.242   18.875 30.09334 21.96905 
1 1 1  -26    4   20 o  111.556   7.7315  790.427  101.231  780.879  121.481  812.123  183.120  110.625   8.6472  112.487   12.819 -1.861961 15.46296 
1 1 1  -26    4   21 o   51.822   12.484  162.377   96.173  172.051  119.535  144.622  161.942   51.798   16.294   51.845   18.918 -0.4650879E-01 24.96762 
1 1 1  -26    4   22 o   39.493   11.501   0.5934  104.420  112.954  126.890 -235.1230  183.787   45.917   16.747   33.068   15.768 12.84917 23.00220 
1 1 1  -26    4   23 o   95.342   9.7952  571.654  110.558  544.380  132.654  633.687  200.060   92.012   11.353   98.672   15.966 -6.659729 19.59049 
1 1 1  -26    4   24 o   69.111   12.450  337.501  104.990  366.756  125.401  268.927  191.992   74.088   13.837   64.133   20.702 9.955490 24.90088 
1 1 1  -26    4   25 o  425.816   5.4234 11683.12  283.965 11956.83  361.573 11242.58  458.716  432.781   6.5789  418.852   8.6239 13.92978 10.84683 
1 1 1  -26    4   26 o   70.941   13.596  360.363  120.070  392.717  141.223  275.974  228.079   76.211   15.126   65.672   22.597 10.53912 27.19172 
1 1 1  -26    4   27 o   56.754   14.163  201.844  128.206  253.767  154.318   86.156  230.344   61.076   18.388   52.433   21.547 8.642490 28.32666 
1 1 1  -26    4   28 o   47.321   12.748  115.743  103.967  106.115  170.932  121.396  130.981   48.320   19.005   46.323   16.997 1.997185 25.49649 
1 1 1  -26    4   29 o   72.591   12.110  375.293  109.678  350.128  162.468  396.363  148.666   69.957   18.137   75.225   16.051 -5.267738 24.21965 
1 1 1  -26    4   30 o   46.985   12.481  119.522  101.836  190.595  155.592   66.260  134.693   53.076   18.641   40.893   16.602 12.18238 24.96211 
1 1 1  -26    4   31 o  103.952   12.213  733.633  161.229   0.0000   0.0000  733.633  161.229  ?   ?   103.952   12.213      ?      ? 
1 1 1  -26    4   32 o   51.985   15.322  158.969  133.285  175.377  354.040  156.259  143.869   56.451   24.986   47.519   17.743 8.931786 30.64474 
1 1 1  -26    4   33 o   73.237   17.235  430.296  157.626   0.0000   0.0000  430.296  157.626  ?   ?    73.237   17.235      ?      ? 
1 1 1  -26    6    1 o  854.578   6.8963 46381.13  747.897 45574.06  1035.14 47262.56  1081.78  846.817   9.6257  862.340   9.8783 -15.52374 13.79252 
1 1 1  -26    6    2 o  412.181   4.1328 10793.57  215.798 10826.47  295.258 10755.85  316.184  412.860   5.6315  411.502   6.0505 1.358429 8.265698 
1 1 1  -26    6    3 o  757.781   6.2280 36487.01  599.316 36930.02  850.679 36050.43  844.477  762.349   8.7869  753.213   8.8286 9.135986 12.45606 
1 1 1  -26    6    4 o  496.764   4.5892 15667.32  288.921 15548.70  395.480 15803.09  423.108  494.754   6.2945  498.773   6.6799 -4.018738 9.178313 
1 1 1  -26    6    5 o  150.539   5.3663  1442.63  102.087  1470.93  138.472  1408.95  151.098  152.164   7.1659  148.914   7.9900 3.249359 10.73265 
1 1 1  -26    6    6 f  478.309   4.6134 14484.25  278.487 14117.62  371.572 14954.16  420.661  471.435   6.2064  485.182   6.8273 -13.74658 9.226715 
1 1 1  -26    6    7 o  385.305   4.1952  9455.41  204.444  9757.06  279.576  9108.69  299.731  391.935   5.6170  378.675   6.2329 13.26059 8.390463 
1 1 1  -26    6    8 o  361.571   4.1248  8304.13  188.668  8304.05  255.838  8304.22  279.343  361.575   5.5717  361.567   6.0837 0.7904053E-02 8.249609 
1 1 1  -26    6    9 o  459.224   4.5961 13412.91  267.633 13749.68  371.393 13049.10  386.010  465.235   6.2861  453.213   6.7069 12.02176 9.192244 
1 1 1  -26    6   10 o  330.612   4.1616  6961.92  173.850  7146.60  236.188  6743.55  256.828  335.419   5.5449  325.806   6.2073 9.612640 8.323280 
1 1 1  -26    6   11 o  159.520   5.5497  1617.08  112.411  1595.26  157.514  1639.72  160.474  158.424   7.8292  160.616   7.8675 -2.191696 11.09934 
1 1 1  -26    6   12 o  240.596   4.3305  3674.76  131.601  3642.12  176.785  3715.33  197.091  239.409   5.8147  241.783   6.4189 -2.374405 8.661024 
1 1 1  -26    6   13 o  167.973   5.2499  1791.00  111.461  1829.41  166.667  1759.91  149.918  169.587   7.7389  166.358   7.0963 3.228790 10.49989 
1 1 1  -26    6   14 o  302.493   4.1303  5879.69  147.386  5989.23  178.938  5648.59  259.911  306.997   4.5898  297.989   6.8682 9.008148 8.260671 
1 1 1  -26    6   15 o   66.597   11.201  283.228   89.590  253.567  109.888  342.028  154.719   61.690   14.305   71.503   17.240 -9.813629 22.40183 
1 1 1  -26    6   16 o  252.259   4.2426  4034.67  127.081  4010.98  154.206  4084.82  224.348  251.188   4.8342  253.331   6.9736 -2.142807 8.485298 
1 1 1  -26    6   17 o  293.921   4.2311  5518.71  145.936  5555.80  175.864  5436.68  261.521  295.624   4.6845  292.217   7.0473 3.406830 8.462188 
1 1 1  -26    6   18 o  203.933   4.6263  2734.83  113.064  2947.06  141.764  2363.88  187.426  215.262   5.1859  192.605   7.6627 22.65709 9.252617 
1 1 1  -26    6   19 o   90.553   8.4567  515.547   93.244  491.659  115.221  560.881  158.728   87.680   10.348   93.426   13.379 -5.745399 16.91350 
1 1 1  -26    6   20 o   55.108   11.921  204.709   95.887  268.310  118.391   83.439  163.479   63.233   14.974   46.984   18.552 16.24940 23.84119 
1 1 1  -26    6   21 o  189.265   5.3437  2356.31  120.598  2514.17  149.983  2067.55  202.848  198.686   5.9442  179.844   8.8817 18.84274 10.68733 
1 1 1  -26    6   22 o   52.581   11.536  163.154  104.021  308.055  131.975 -74.5171  169.022   67.535   15.688   37.628   16.917 29.90721 23.07149 
1 1 1  -26    6   23 o   86.107   10.438  513.924  103.406  565.334  128.565  419.732  174.023   93.756   10.798   78.458   17.866 15.29865 20.87563 
1 1 1  -26    6   24 o  396.588   5.2972  9622.49  249.908  8895.16  299.500 11289.64  453.440  373.372   6.3165  419.804   8.5054 -46.43158 10.59436 
1 1 1  -26    6   25 o   42.739   12.852 -21.3048  118.107 -87.1661  144.947  108.821  203.740   33.543   15.311   51.936   20.646 -18.39316 25.70363 
1 1 1  -26    6   26 o   98.176   11.288  670.683  129.862  745.123  165.855  552.742  208.766  107.072   12.198   89.280   18.997 17.79208 22.57553 
1 1 1  -26    6   27 o   54.502   14.149  148.736  125.677   83.556  156.053  269.035  212.005   45.342   18.055   63.663   21.791 -18.32143 28.29868 
1 1 1  -26    6   28 o   32.032   10.786 -229.5084  126.597 -78.9329  152.912 -557.6003  225.716   34.541   15.751   29.523   14.739 5.017574 21.57116 
1 1 1  -26    6   29 o   60.285   13.400  263.795  121.687  355.378  159.926  137.863  187.535   69.882   17.932   50.688   19.916 19.19368 26.79909 
1 1 1  -26    6   30 o  241.559   9.5154  5321.37  194.653  1381.63  318.539  7669.29  245.907  137.932   18.185  345.187   5.6097 -207.2555 19.03090 
1 1 1  -26    6   31 o   27.428   13.190 -163.6673  134.656   0.0000   0.0000 -163.6673  134.656  ?   ?    27.428   13.190      ?      ? 
1 1 1  -26    6   32 o   54.102   17.881  234.009  142.842   0.0000   0.0000  234.009  142.842  ?   ?    54.102   17.881      ?      ? 
1 1 1  -26    8    1 f  630.768   5.3608 25275.56  429.074 25102.29  594.085 25464.49  620.372  628.518   7.4431  633.018   7.7172 -4.500061 10.72169 
1 1 1  -26    8    2 o  148.577   4.8981  1403.69   91.973  1414.04  124.369  1391.20  136.634  149.187   6.5645  147.968   7.2713 1.219406 9.796206 
1 1 1  -26    8    3 o  316.960   3.9315  6389.56  156.958  6444.77  209.523  6318.95  236.941  318.531   5.1797  315.389   5.9158 3.142059 7.862944 
1 1 1  -26    8    4 o  375.469   4.1440  8934.09  195.503  8810.55  257.536  9102.11  300.340  372.425   5.4453  378.513   6.2482 -6.087433 8.288018 
1 1 1  -26    8    5 f  100.074   7.1795  631.762   90.840  583.073  121.706  693.002  136.495   95.758   10.008  104.390   10.296 -8.632805 14.35895 
1 1 1  -26    8    6 f  282.603   4.1058  5049.20  145.241  4933.41  189.002  5216.18  226.974  278.677   5.3406  286.529   6.2378 -7.851532 8.211688 
1 1 1  -26    8    7 o  181.736   4.6951  2094.01  108.211  2009.40  148.373  2190.16  158.163  177.825   6.5703  185.648   6.7087 -7.823135 9.390169 
1 1 1  -26    8    8 o  389.725   4.4381  9488.76  190.599  9328.52  219.418  9981.42  384.728  383.213   4.5087  396.237   7.6458 -13.02481 8.876171 
1 1 1  -26    8    9 o  248.556   4.1677  3830.34  118.923  3708.66  139.727  4150.16  226.525  241.613   4.5539  255.499   6.9815 -13.88593 8.335433 
1 1 1  -26    8   10 o  588.947   5.7695 22282.89  381.593 22532.63  446.910 21610.91  733.094  595.384   5.9108  582.510   9.9101 12.87421 11.53896 
1 1 1  -26    8   11 o  413.521   4.6156 10286.75  206.703  9792.27  234.404 12015.79  438.321  392.543   4.7022  434.499   7.9437 -41.95581 9.231122 
1 1 1  -26    8   12 o   56.213   10.733  156.912   81.232   59.662   97.863  372.352  145.659   37.638   14.499   74.788   15.830 -37.15034 21.46638 
1 1 1  -26    8   13 o  428.084   4.7906 11374.98  224.891 11105.26  257.882 12231.44  459.538  417.973   4.8584  438.194   8.2580 -20.22076 9.581206 
1 1 1  -26    8   14 o  117.768   6.0316  886.400   86.661  893.027  108.654  874.814  143.666  118.436   7.2241  117.100   9.6610 1.336166 12.06325 
1 1 1  -26    8   15 o  142.413   5.4608  1317.05   92.706  1368.97  114.295  1217.19  158.503  146.681   6.1358  138.144   9.0350 8.536789 10.92151 
1 1 1  -26    8   16 o  342.610   4.3036  7403.48  170.243  7312.13  201.720  7629.62  317.378  339.126   4.6839  346.095   7.2211 -6.969055 8.607187 
1 1 1  -26    8   17 o   57.567   10.598  235.346   88.344  332.959  109.024   48.697  150.759   72.077   11.911   43.057   17.532 29.01908 21.19579 
1 1 1  -26    8   18 o  345.781   4.4179  7628.02  178.643  7650.98  214.493  7576.01  322.761  346.825   4.8700  344.737   7.3725 2.087372 8.835752 
1 1 1  -26    8   19 o   49.486   12.325  129.454   94.687   90.072  119.756  195.133  154.654   43.013   16.163   55.959   18.611 -12.94603 24.64952 
1 1 1  -26    8   20 o   74.390   10.761  414.402   99.150  575.929  128.335  175.232  156.163   94.741   10.667   54.039   18.692 40.70166 21.52123 
1 1 1  -26    8   21 o  135.700   6.8073  1220.40  110.598  1317.86  138.720  1050.36  183.228  143.633   7.6051  127.768   11.293 15.86488 13.61468 
1 1 1  -26    8   22 o  133.410   7.2978  1099.96  115.025  1030.21  137.318  1264.01  210.595  126.849   8.5244  139.970   11.848 -13.12115 14.59568 
1 1 1  -26    8   23 f  158.854   10.210  1809.93  164.681  3009.37  237.279  695.240  228.742  216.669   8.6235  101.039   18.509 115.6301 20.41955 
1 1 1  -26    8   24 o  124.430   8.7660  976.027  126.804  935.838  150.160  1075.93  236.745  120.587   9.8057  128.273   14.533 -7.686913 17.53200 
1 1 1  -26    8   25 o  106.647   9.7785  754.526  126.676  780.428  159.409  710.141  208.672  109.679   11.445  103.615   15.859 6.064331 19.55708 
1 1 1  -26    8   26 o   59.291   13.884  235.138  128.994  321.764  165.468  100.931  205.957   67.704   18.650   50.879   20.574 16.82556 27.76894 
1 1 1  -26    8   27 o   62.284   14.374  266.537  133.665  188.491  187.819  346.630  190.266   55.303   20.344   69.264   20.312 -13.96161 28.74818 
1 1 1  -26    8   28 o   57.543   15.328  202.947  170.474 -161.9463  329.914  335.864  199.117   47.965   22.320   67.120   21.016 -19.15517 30.65689 
1 1 1  -26    8   29 o  234.584   10.314  4391.14  246.553  1757.22  371.280  6468.86  329.758  154.660   18.904  314.509   8.2563 -159.8495 20.62808 
1 1 1  -26    8   30 o   45.833   14.592   13.497  176.514 -266.5114  354.430  105.853  203.554   44.305   21.329   47.362   19.921 -3.057037 29.18499 
1 1 1  -26    8   31 o   39.481   12.114   39.253  115.322 -106.3210  207.805  104.039  138.629   36.840   17.327   42.122   16.933 -5.281395 24.22717 
1 1 1  -26   10    1 o  652.588   6.2625 27034.38  448.709 26946.82  517.370 27300.16  901.369  650.956   6.2585  654.220   10.849 -3.264099 12.52502 
1 1 1  -26   10    2 o  195.395   3.9200  2379.97   89.871  2307.70  107.332  2549.47  164.383  190.570   4.4351  200.220   6.4651 -9.650085 7.840071 
1 1 1  -26   10    3 o  197.088   4.1011  2428.61   91.420  2381.13  106.699  2559.68  177.294  193.581   4.3403  200.596   6.9598 -7.014359 8.202229 
1 1 1  -26   10    4 o  298.465   3.9822  5587.98  133.103  5505.78  154.632  5823.06  261.502  294.369   4.1365  302.562   6.8059 -8.192566 7.964316 
1 1 1  -26   10    5 o  269.008   3.9307  4494.42  119.671  4372.37  139.484  4834.85  232.947  262.320   4.1871  275.696   6.6535 -13.37646 7.861352 
1 1 1  -26   10    6 o  426.292   4.6122 11592.35  221.026 11630.34  258.479 11489.01  426.318  427.774   4.7581  424.810   7.9024 2.963776 9.224304 
1 1 1  -26   10    7 o  207.474   4.0884  2607.97   98.062  2441.68  115.039  3049.96  187.552  196.004   4.6217  218.945   6.7454 -22.94124 8.176839 
1 1 1  -26   10    8 o  106.598   6.3532  703.449   80.719  666.993   97.316  783.836  144.508  102.359   7.4865  110.837   10.267 -8.478127 12.70641 
1 1 1  -26   10    9 o  276.870   4.1365  4840.79  131.100  4796.12  154.545  4955.43  247.581  274.705   4.4301  279.034   6.9869 -4.329437 8.272959 
1 1 1  -26   10   10 o  305.058   4.1777  5938.44  146.415  5964.38  173.601  5874.51  272.510  306.331   4.4626  303.785   7.0638 2.545837 8.355336 
1 1 1  -26   10   11 o  533.044   5.8062 17981.61  374.028 17707.31  461.020 18509.86  639.777  527.420   6.8831  538.668   9.3525 -11.24799 11.61238 
1 1 1  -26   10   12 o  270.876   4.0654  4677.72  129.321  4694.32  155.808  4640.97  231.860  271.746   4.5149  270.005   6.7620 1.740631 8.130744 
1 1 1  -26   10   13 o  331.492   4.2474  7123.48  164.317  7337.70  198.400  6655.60  293.208  339.725   4.5987  323.258   7.1425 16.46722 8.494881 
1 1 1  -26   10   14 o  361.506   4.3541  8474.09  183.777  8729.88  221.983  7916.83  327.650  370.523   4.7177  352.489   7.3196 18.03445 8.708191 
1 1 1  -26   10   15 o   84.623   8.9346  475.457   87.633  494.638  108.261  439.005  149.246   87.971   9.6906   81.274   15.013 6.697723 17.86917 
1 1 1  -26   10   16 o  155.561   5.3752  1530.88   99.849  1507.22  121.543  1579.99  175.115  153.840   6.2213  157.282   8.7673 -3.441055 10.75037 
1 1 1  -26   10   17 o  129.232   6.5796  1095.22  102.405  1162.77  128.464  977.464  169.605  135.002   7.4931  123.461   10.818 11.54095 13.15929 
1 1 1  -26   10   18 o  149.926   5.9687  1453.82  110.334  1513.66  141.806  1362.03  175.637  154.013   7.2504  145.839   9.4834 8.174835 11.93746 
1 1 1  -26   10   19 o   95.883   9.0504  574.339  107.153  516.323  134.060  676.973  178.308   89.522   11.792  102.244   13.733 -12.72246 18.10085 
1 1 1  -26   10   20 o  136.473   7.1827  1121.47  114.403  1018.58  134.576  1389.57  217.240  126.147   8.4006  146.798   11.653 -20.65031 14.36543 
1 1 1  -26   10   21 o  107.129   19.526  784.434  255.855   0.0000   0.0000  784.434  255.855  ?   ?   107.129   19.526      ?      ? 
1 1 1  -26   10   22 o   55.707   14.203  170.704  122.705  142.854  150.053  226.917  213.182   50.242   18.229   61.173   21.785 -10.93069 28.40569 
1 1 1  -26   10   23 o  114.090   8.6342  862.322  121.387  928.489  157.850  766.568  189.891  119.916   10.365  108.264   13.811 11.65173 17.26848 
1 1 1  -26   10   24 o   45.611   13.042   75.795  115.828   96.257  147.936   43.380  186.198   45.636   17.757   45.586   19.107 0.4967499E-01 26.08465 
1 1 1  -26   10   25 o  103.315   9.8321  712.612  127.058  736.748  167.850  680.223  194.444  105.806   12.492  100.823   15.187 4.983505 19.66419 
1 1 1  -26   10   26 o   40.986   13.826 -180.1891  169.817 -571.6380  397.641 -92.8714  187.804   44.086   21.537   37.886   17.344 6.199940 27.65232 
1 1 1  -26   10   27 f   48.616   14.500   63.048  159.673 -71.7740  239.081  171.604  214.532   43.233   19.707   53.999   21.274 -10.76587 28.99918 
1 1 1  -26   10   28 o   33.938   16.537 -649.7319  174.090 -1087.3199  265.943 -321.6068  230.290  ?   ?    33.938   16.537      ?      ? 
1 1 1  -26   10   29 o   37.078   12.411 -193.4920  160.041 -371.9984  227.969 -20.0231  224.730   31.951   15.748   42.205   19.187 -10.25410 24.82213 
1 1 1  -26   10   30 o   49.230   14.908  146.847  167.355   89.945  235.643  204.757  237.721   46.281   20.439   52.178   21.707 -5.896938 29.81519 
1 1 1  -26   12    1 o  296.037   3.9592  5596.31  132.029  5621.99  154.633  5527.20  253.624  297.417   4.0941  294.656   6.7779 2.760651 7.918465 
1 1 1  -26   12    2 o  292.165   4.0201  5509.33  131.826  5603.08  154.574  5259.29  252.450  296.917   4.0994  287.413   6.9166 9.503265 8.040161 
1 1 1  -26   12    3 o  438.810   4.6923 12307.44  230.141 12364.28  268.368 12149.45  447.409  440.992   4.7921  436.628   8.0689 4.363708 9.384624 
1 1 1  -26   12    4 o  194.900   4.1807  2393.04   93.793  2361.33  110.873  2472.83  175.883  192.732   4.5300  197.069   7.0279 -4.337234 8.361378 
1 1 1  -26   12    5 o  268.722   4.0649  4620.13  123.321  4651.74  144.710  4536.26  235.698  270.529   4.2122  266.916   6.9535 3.612854 8.129803 
1 1 1  -26   12    6 o  253.490   3.9628  4118.52  116.586  4164.85  139.471  4011.03  212.415  255.972   4.2906  251.009   6.6638 4.962357 7.925558 
1 1 1  -26   12    7 o  214.572   4.0683  2875.08  100.687  2802.86  118.863  3058.58  189.458  209.974   4.4576  219.169   6.8070 -9.194565 8.136688 
1 1 1  -26   12    8 o  112.694   6.9944  808.862  100.098  808.862  100.098   0.0000   0.0000  112.694   6.9944  ?   ?       ?      ? 
1 1 1  -26   12    9 o  239.154   4.0375  3615.10  113.542  3575.84  136.459  3703.43  204.694  237.152   4.5310  241.156   6.6839 -4.004944 8.074944 
1 1 1  -26   12   10 o  203.368   4.3071  2530.57  104.545  2352.14  125.779  2929.34  188.029  192.294   5.1507  214.442   6.9046 -22.14726 8.614113 
1 1 1  -26   12   11 o   47.112   11.251  102.856   81.625   35.061  101.592  226.322  137.099   35.648   14.437   58.577   17.260 -22.92903 22.50252 
1 1 1  -26   12   12 o  140.531   5.7393  1295.12   95.522  1364.96  117.579  1159.55  163.817  146.396   6.3245  134.667   9.5790 11.72845 11.47852 
1 1 1  -26   12   13 o   88.398   8.3331  492.369   90.372  467.145  112.715  537.769  151.219   85.398   10.393   91.398   13.028 -6.000458 16.66619 
1 1 1  -26   12   14 o   73.595   10.451  391.936   90.126  465.135  111.809  256.149  152.284   85.187   10.335   62.004   18.169 23.18286 20.90273 
1 1 1  -26   12   15 o  162.357   6.2504  1684.81  128.641  1829.28  184.902  1549.29  179.090  169.128   8.6089  155.587   9.0640 13.54099 12.50081 
1 1 1  -26   12   16 o  315.279   4.4692  6408.31  165.975  6531.22  201.324  6147.54  293.252  320.306   4.9494  310.253   7.4430 10.05301 8.938396 
1 1 1  -26   12   17 o  105.576   8.9522  655.264  110.348  567.234  129.173  892.988  212.272   93.898   10.833  117.255   14.255 -23.35767 17.90439 
1 1 1  -26   12   18 o  431.709   5.6164 10746.56  268.014  9687.54  304.376 14401.50  565.456  389.707   6.1503  473.711   9.3996 -84.00397 11.23287 
1 1 1  -26   12   19 o   96.869   11.156  536.409  124.262  409.618  145.276  882.051  239.863   77.891   15.233  115.846   16.304 -37.95486 22.31287 
1 1 1  -26   12   20 o   86.423   12.412  530.612  125.052  580.942  152.808  428.559  217.596   94.555   12.726   78.290   21.313 16.26553 24.82352 
1 1 1  -26   12   21 o   79.070   11.985  450.790  118.123  569.963  154.928  285.324  182.555   93.441   13.056   64.698   20.101 28.74268 23.96903 
1 1 1  -26   12   22 o   59.382   13.579  237.778  115.575  248.420  147.861  221.065  185.302   60.123   17.976   58.640   20.357 1.483158 27.15763 
1 1 1  -26   12   23 o  117.929   10.558  922.189  155.001  968.758  246.880  891.888  199.143  119.831   16.223  116.027   13.515 3.803459 21.11543 
1 1 1  -26   12   24 o   65.866   16.983  273.703  165.990  388.373  329.385  234.669  192.176   72.900   26.920   58.833   20.712 14.06745 33.96639 
1 1 1  -26   12   25 o   38.634   12.884 -191.5224  165.679 -275.0973  246.163 -122.3121  224.011   37.289   17.906   39.979   18.531 -2.690395 25.76862 
1 1 1  -26   12   26 o  131.180   12.586  413.264  175.731  1172.87  209.671 -1380.0510  322.161  131.180   12.586  ?   ?       ?      ? 
1 1 1  -26   12   27 o   66.989   12.937  326.411  155.733 -118.6007  232.798  686.865  209.516   39.433   18.480   94.545   18.110 -55.11185 25.87406 
1 1 1  -26   12   28 o   53.504   14.893  210.554  149.003  317.421  228.531  131.530  196.519   59.924   22.365   47.084   19.674 12.83926 29.78696 
1 1 1  -26   14    1 o  163.328   4.6333  1696.77   87.963  1692.41  104.987  1707.04  161.131  163.090   5.0691  163.566   7.7572 -0.4761047 9.266613 
1 1 1  -26   14    2 o  245.646   4.0634  3818.89  115.156  3787.57  136.509  3896.18  214.441  244.044   4.4047  247.249   6.8296 -3.204788 8.126782 
1 1 1  -26   14    3 o   58.389   11.180  222.820   81.180  213.850   98.856  241.397  142.261   56.494   13.879   60.283   17.531 -3.788555 22.35994 
1 1 1  -26   14    4 o  191.746   4.5771  2301.31  102.149  2242.10  121.369  2445.13  189.148  187.715   5.0913  195.778   7.6078 -8.062653 9.154282 
1 1 1  -26   14    5 o  159.590   4.8483  1633.75   93.057  1656.30  114.931  1590.82  158.561  161.301   5.6108  157.879   7.9085 3.421249 9.696659 
1 1 1  -26   14    6 o  326.628   4.6340  6812.15  188.648  6870.98  244.958  6726.42  295.733  328.480   5.8723  324.776   7.1703 3.703674 9.268063 
1 1 1  -26   14    7 o  201.536   4.4235  2603.49  106.014  2633.43  129.398  2542.38  184.890  203.431   5.0088  199.642   7.2926 3.789047 8.847081 
1 1 1  -26   14    8 o  125.262   5.9726  992.191   89.100  973.013  108.097  1032.83  157.364  123.527   6.8908  126.997   9.7574 -3.470238 11.94528 
1 1 1  -26   14    9 o  167.193   4.9516  1717.94   99.908  1587.55  121.492  1990.29  175.588  157.849   6.0608  176.538   7.8321 -18.68842 9.903296 
1 1 1  -26   14   10 o   53.674   11.719  191.214   88.268  220.364  111.793  142.957  143.837   57.247   15.144   50.100   17.889 7.147530 23.43800 
1 1 1  -26   14   11 o  151.348   5.3995  1436.31   98.411  1381.58  120.233  1547.41  171.300  147.192   6.4322  155.503   8.6744 -8.311783 10.79904 
1 1 1  -26   14   12 o   93.034   9.1847  614.561   93.669  696.348  114.709  450.883  162.274  104.297   8.6606   81.771   16.200 22.52600 18.36946 
1 1 1  -26   14   13 o  201.781   4.8438  2419.28  114.634  2164.66  135.095  3074.08  216.646  184.288   5.7725  219.275   7.7801 -34.98712 9.687696 
1 1 1  -26   14   14 o  472.360   9.0186 14306.06  540.990   0.0000   0.0000 14306.06  540.990  ?   ?   472.360   9.0186      ?      ? 
1 1 1  -26   14   15 o   35.426   16.656 -412.2070  108.785 -517.4838  132.107 -190.4517  191.734  ?   ?    35.426   16.656      ?      ? 
1 1 1  -26   14   16 o   46.469   12.962   87.860  107.946   83.839  132.515   95.792  186.103   43.434   16.832   49.504   19.715 -6.069790 25.92350 
1 1 1  -26   14   17 o  104.984   8.7615  657.478  108.066  573.534  127.243  874.726  204.700   94.252   10.631  115.715   13.930 -21.46342 17.52304 
1 1 1  -26   14   18 o  187.785   5.8650  2330.19  134.014  2539.14  171.777  2005.23  214.222  199.206   6.7903  176.364   9.5648 22.84138 11.73001 
1 1 1  -26   14   19 o  102.426   9.0057  705.099  112.295  764.810  144.011  612.468  179.367  108.615   10.441   96.236   14.677 12.37890 18.01143 
1 1 1  -26   14   20 o   74.269   12.704  378.884  117.737  314.264  153.496  471.241  183.507   66.793   17.781   81.746   18.150 -14.95263 25.40851 
1 1 1  -26   14   21 o   37.974   12.129 -154.6029  143.219 -625.1555  256.345   58.930  172.684   31.368   15.667   44.581   18.520 -13.21301 24.25747 
1 1 1  -26   14   22 o   58.531   14.965  235.929  144.322  136.835  249.692  285.643  176.858   54.459   22.413   62.603   19.834 -8.143616 29.92911 
1 1 1  -26   14   23 o  ?   ?  -1415.5260  151.038 -1407.2170  188.347 -1430.4960  252.810  ?   ?   ?   ?       ?      ? 
1 1 1  -26   14   24 o   53.027   13.545   64.340  156.923 -345.8070  227.876  434.261  216.413   33.047   16.177   73.007   21.729 -39.95948 27.09020 
1 1 1  -26   14   25 o   79.602   15.703  553.730  166.023  485.925  260.233  600.271  215.599   73.195   24.132   86.010   20.100 -12.81490 31.40651 
1 1 1  -26   14   26 o   74.997   15.617  518.244  162.503  426.083  243.534  592.213  218.179   67.060   23.334   82.933   20.763 -15.87273 31.23433 
1 1 1  -26   16    1 o  163.231   5.9197  1691.15  109.528  1673.59  128.330  1738.24  210.181  161.980   6.2386  164.481   10.062 -2.501053 11.83937 
1 1 1  -26   16    2 o  165.427   5.8072  1676.88  110.041  1586.37  128.554  1925.01  212.850  157.683   6.4198  173.172   9.6787 -15.48920 11.61430 
1 1 1  -26   16    3 o   34.140   11.058 -108.3559   97.002 -145.6069  115.007 -16.5304  180.566   26.263   12.509   42.016   18.238 -15.75303 22.11566 
1 1 1  -26   16    4 o   54.495   12.475  128.142   97.946   40.789  115.928  346.035  183.093   37.898   15.396   71.093   19.633 -33.19513 24.94979 
1 1 1  -26   16    5 o  111.822   7.9073  693.917  103.912  515.325  122.168  1161.14  197.602   89.478   10.751  134.165   11.598 -44.68723 15.81454 
1 1 1  -26   16    6 o  349.987   4.8864  7786.05  203.237  7719.45  246.698  7926.73  358.544  348.018   5.5819  351.956   8.0219 -3.937592 9.772863 
1 1 1  -26   16    7 o  301.276   7.9397  5808.73  303.770   0.0000   0.0000  5808.73  303.770  ?   ?   301.276   7.9397      ?      ? 
1 1 1  -26   16    8 o   57.848   12.231  234.900  112.198  350.230  134.154 -33.5132  204.660   71.941   15.162   43.755   19.195 28.18599 24.46139 
1 1 1  -26   16    9 o  128.907   6.8222  967.324  104.257  808.213  123.375  1364.74  194.984  112.270   8.6534  145.545   10.549 -33.27540 13.64438 
1 1 1  -26   16   10 o   55.636   12.282  207.485   93.323  226.369  111.668  163.750  169.941   57.769   15.065   53.503   19.401 4.266262 24.56369 
1 1 1  -26   16   11 o   42.378   12.026   64.063   91.782   63.782  109.071   64.746  169.877   39.015   15.229   45.742   18.617 -6.726845 24.05196 
1 1 1  -26   16   12 o   60.092   13.281  216.502  122.648  382.014  179.582   71.810  167.907   74.206   18.981   45.978   18.582 28.22789 26.56219 
1 1 1  -26   16   13 o  160.251   5.9168  1620.29  117.370  1527.80  148.333  1775.15  191.945  154.406   7.5648  166.097   9.0999 -11.69107 11.83363 
1 1 1  -26   16   14 o   47.262   12.406  101.588  100.219   39.016  129.068  196.593  159.040   39.106   16.107   55.419   18.874 -16.31290 24.81226 
1 1 1  -26   16   15 o  167.324   6.0351  1835.68  121.834  1915.99  152.375  1693.32  202.861  172.891   6.9401  161.757   9.8755 11.13391 12.07018 
1 1 1  -26   16   16 f   43.617   12.499   42.341  109.402 -29.8890  142.227  147.006  171.207   35.894   15.864   51.340   19.319 -15.44560 24.99795 
1 1 1  -26   16   17 o   59.887   13.094  238.683  106.945  196.996  134.197  311.236  177.040   53.815   17.302   65.958   19.659 -12.14353 26.18785 
1 1 1  -26   16   18 o   48.579   13.134  101.354  129.775 -147.3955  218.168  237.565  161.442   38.971   18.140   58.187   18.999 -19.21621 26.26792 
1 1 1  -26   16   19 o   45.123   13.599   17.821  140.192  145.376  211.270 -82.5314  187.393   52.348   20.953   37.897   17.341 14.45100 27.19825 
1 1 1  -26   16   20 o  173.025   8.1942  1979.49  175.756  1457.55  234.802  2644.57  265.050  146.594   12.613  199.455   10.464 -52.86154 16.38839 
1 1 1  -26   16   21 o   49.765   14.445  126.821  146.218  184.814  217.614   79.091  197.424   53.577   21.325   45.953   19.489 7.624454 28.88907 
1 1 1  -26   16   22 o   49.591   14.518  125.762  145.496  230.089  238.729   64.111  183.518   55.871   22.305   43.310   18.590 12.56064 29.03617 
1 1 1  -26   16   23 o   47.944   14.454  125.163  151.136  151.672  246.354  109.165  191.384   50.328   21.569   45.560   19.248 4.767467 28.90842 
1 1 1  -26   18    1 o  127.116   6.7371  1013.96  102.885  957.069  124.984  1133.54  181.209  122.039   8.0645  132.193   10.794 -10.15433 13.47414 
1 1 1  -26   18    2 o  111.466   8.1538  849.556  103.519  913.964  124.813  707.598  185.296  119.234   8.2429  103.697   14.071 15.53640 16.30756 
1 1 1  -26   18    3 o  181.684   5.5204  2123.84  117.877  2131.31  142.190  2107.43  210.784  182.581   6.1325  180.788   9.1810 1.793396 11.04076 
1 1 1  -26   18    4 o  151.133   6.8722  1583.52  117.001  1749.55  141.388  1222.85  208.394  165.300   6.7354  136.966   11.981 28.33334 13.74445 
1 1 1  -26   18    5 f  116.714   8.2065  858.097  114.731  804.303  138.822  974.016  203.784  111.545   9.8002  121.883   13.166 -10.33821 16.41292 
1 1 1  -26   18    6 o  124.978   7.7769  1005.43  114.746  989.378  138.357  1040.80  205.372  123.908   8.7927  126.048   12.830 -2.140106 15.55379 
1 1 1  -26   18    7 o   55.387   13.175  202.544  107.823  225.967  131.559  154.620  188.181   57.420   16.905   53.354   20.213 4.065418 26.35034 
1 1 1  -26   18    8 o   56.414   12.839  215.023  101.984  228.160  124.942  188.795  176.536   57.532   16.337   55.296   19.810 2.236729 25.67785 
1 1 1  -26   18    9 o  155.907   6.1654  1586.64  116.301  1629.30  145.227  1510.36  194.190  159.277   7.1799  152.536   10.025 6.741043 12.33075 
1 1 1  -26   18   10 o  144.478   6.9439  1354.02  117.118  1351.09  140.417  1360.73  212.301  144.865   7.6327  144.090   11.602 0.7750397 13.88772 
1 1 1  -26   18   11 o  213.204   5.2077  2911.33  131.843  2883.02  159.947  2971.35  232.868  212.114   5.9379  214.293   8.5570 -2.179657 10.41542 
1 1 1  -26   18   12 o   99.023   9.1358  611.177  108.960  531.187  131.404  787.217  194.938   89.772   11.526  108.273   14.177 -18.50106 18.27165 
1 1 1  -26   18   13 o  163.321   5.6231  1721.92  112.627  1705.04  141.705  1750.89  185.584  162.651   6.8604  163.991   8.9113 -1.340759 11.24621 
1 1 1  -26   18   14 o   53.771   11.899  205.382  107.729  325.944  131.982 -35.2927  186.476   67.535   15.689   40.007   17.893 27.52832 23.79716 
1 1 1  -26   18   15 o   26.748   13.459 -642.9767  133.377 -691.1514  174.536 -575.3542  206.786  ?   ?    26.748   13.459      ?      ? 
1 1 1  -26   18   16 o  123.469   12.278  1530.63  164.009  2397.10  210.134  180.054  262.348  191.082   8.6596   55.855   22.979 135.2269 24.55692 
1 1 1  -26   18   17 o   59.331   14.544  266.329  137.572  178.646  192.709  357.455  196.456   51.998   20.258   66.663   20.876 -14.66474 29.08877 
1 1 1  -26   18   18 o   39.650   12.636 -12.8054  132.100 -69.3669  219.431   19.345  165.437   39.980   18.464   39.321   17.254 0.6588745 25.27102 
1 1 1  -26   18   19 o   42.601   13.211   25.531  137.920  143.800  210.516 -63.4077  182.556   48.790   20.373   36.412   16.825 12.37853 26.42221 
1 1 1  -26   18   20 o   47.818   14.200  144.200  143.543  178.085  225.871  121.244  185.914   50.224   21.048   45.411   19.066 4.813019 28.39947 
1 1 1  -26   20    1 o   27.673   9.8834 -328.7699  112.211 -280.1278  124.099 -546.7783  262.724   22.633   11.238   32.714   16.261 -10.08006 19.76684 
1 1 1  -26   20    2 o   28.774   10.194 -257.2942  108.320 -197.3580  117.394 -600.6459  280.977   24.101   11.758   33.446   16.657 -9.345055 20.38864 
1 1 1  -26   20    3 o   45.120   13.665   60.516  110.455   57.886  121.023   73.634  270.269   38.604   15.713   51.635   22.363 -13.03138 27.33098 
1 1 1  -26   20    4 o   25.041   9.1054 -433.0157  111.254 -341.3478  119.967 -996.1573  297.346   20.570   10.337   29.512   14.993 -8.942032 18.21070 
1 1 1  -26   20    5 o   34.445   11.785 -208.4192  118.835 -242.7310  134.390 -85.4102  254.457   25.135   12.329   43.755   20.089 -18.62057 23.57066 
1 1 1  -26   20    6 o   52.494   13.645 -273.4783  124.735 -469.5164  138.033  599.349  291.258   20.545   10.414   84.444   25.225 -63.89959 27.29052 
1 1 1  -26   20    7 o  253.690   6.1167  4001.89  177.926  3732.87  207.683  4744.10  344.966  240.031   6.8133  267.350   10.161 -27.31853 12.23347 
1 1 1  -26   20    8 o   53.630   23.035  118.594  282.109   0.0000   0.0000  118.594  282.109  ?   ?    53.630   23.035      ?      ? 
1 1 1  -26   20    9 o   35.348   16.857 -492.2821  112.664 -610.9207  133.451 -197.9305  210.205  ?   ?    35.348   16.857      ?      ? 
1 1 1  -26   20   10 o  133.167   8.2809  1033.35  129.555  740.662  152.688  1785.77  244.812  104.477   11.508  161.858   11.910 -57.38067 16.56179 
1 1 1  -26   20   11 o   31.799   10.517 -80.1670   98.819 -31.1850  114.317 -224.9746  196.556   30.827   13.881   32.771   15.803 -1.944271 21.03373 
1 1 1  -26   20   12 o   70.878   14.491  408.047  142.501  557.998  210.406  280.982  193.685   82.793   20.193   58.964   20.790 23.82912 28.98204 
1 1 1  -26   20   13 o   83.827   13.466  577.215  143.406  458.289  217.078  669.308  191.025   72.510   21.804   95.144   15.810 -22.63418 26.93270 
1 1 1  -26   20   14 o   35.006   11.655 -101.5591  129.943 -118.4271  211.645 -91.3536  164.624   36.727   17.338   33.284   15.580 3.443428 23.30986 
1 1 1  -26   20   15 o   40.257   12.772   20.386  136.002 -19.7188  203.682   52.652  182.696   39.313   18.022   41.201   18.104 -1.887493 25.54483 
1 1 1  -25    1    1 o  302.306   3.3089  5802.05  127.006  5700.27  177.558  5908.68  181.741  299.592   4.6669  305.019   4.6919 -5.427155 6.617721 
1 1 1  -25    1    2 o  596.283   4.9859 22541.79  377.051 23437.22  550.720 21751.71  517.309  607.403   7.1396  585.162   6.9614 22.24164 9.971729 
1 1 1  -25    1    3 o  1015.13   8.0299 65496.55  1035.00 64811.59  1448.08 66211.91  1479.87  1009.71   11.293  1020.55   11.419 -10.83624 16.05988 
1 1 1  -25    1    4 o  449.217   4.0721 12807.49  232.192 13123.67  334.752 12514.34  322.337  454.556   5.7991  443.879   5.7183 10.67606 8.144221 
1 1 1  -25    1    5 o  652.254   5.4034 27026.08  447.560 27233.47  635.985 26822.60  629.949  654.733   7.6490  649.776   7.6342 4.957153 10.80688 
1 1 1  -25    1    6 o   71.792   8.9032  337.338   78.471  382.110  108.402  288.047  113.741   77.534   11.009   66.051   13.995 11.48283 17.80644 
1 1 1  -25    1    7 o  244.412   5.5561  3794.10  172.453   0.0000   0.0000  3794.10  172.453  ?   ?   244.412   5.5561      ?      ? 
1 1 1  -25    1    8 o  945.357   7.5704 56733.11  907.990 58408.87  1319.22 55224.66  1251.63  958.592   10.837  932.121   10.574 26.47162 15.14070 
1 1 1  -25    1    9 o  472.695   4.5153 14184.46  270.957 13876.57  377.192 14512.75  389.487  467.399   6.3547  477.991   6.4165 -10.59241 9.030693 
1 1 1  -25    1   10 o  405.050   6.2628 10421.29  322.148   0.0000   0.0000 10421.29  322.148  ?   ?   405.050   6.2628      ?      ? 
1 1 1  -25    1   11 o  547.895   5.0487 19050.79  350.948 18652.33  483.974 19492.64  509.653  541.864   7.0332  553.927   7.2451 -12.06329 10.09741 
1 1 1  -25    1   12 o   81.979   12.131  445.632  124.028  347.223  181.706  531.478  169.713   72.564   19.360   91.394   14.622 -18.83031 24.26159 
1 1 1  -25    1   13 o  284.610   4.4982  5154.90  162.169  5302.32  223.536  4991.12  235.623  288.918   6.0925  280.301   6.6193 8.616638 8.996341 
1 1 1  -25    1   14 o  479.535   4.6880 14532.40  284.478 13747.51  383.181 15496.29  424.630  465.189   6.4863  493.880   6.7704 -28.69116 9.376011 
1 1 1  -25    1   15 o  348.980   4.3620  7737.52  193.314  7772.76  274.082  7702.65  272.697  349.771   6.1705  348.190   6.1672 1.580963 8.724044 
1 1 1  -25    1   16 o  243.346   4.8781  3764.70  150.183  3760.23  222.163  3768.46  203.804  243.200   7.1933  243.491   6.5910 -0.2903748 9.756290 
1 1 1  -25    1   17 o  183.827   5.9080  2149.80  137.882  2097.51  192.364  2205.06  197.735  181.529   8.3445  186.124   8.3657 -4.594696 11.81592 
1 1 1  -25    1   18 o   86.915   11.724  493.514  125.884  631.804  184.193  372.306  172.441   99.275   14.610   74.554   18.340 24.72125 23.44782 
1 1 1  -25    1   19 o  137.176   7.8112  1185.93  135.100  1394.77  204.369  1023.83  180.052  147.770   10.891  126.583   11.201 21.18694 15.62243 
1 1 1  -25    1   20 o  119.977   9.0525  939.285  135.360  788.080  200.046  1066.98  183.835  110.779   14.220  129.175   11.207 -18.39527 18.10501 
1 1 1  -25    1   21 o  130.164   9.1581  1085.31  146.965  1095.70  238.757  1078.97  186.479  130.501   14.407  129.827   11.311 0.6742401 18.31621 
1 1 1  -25    1   22 o   45.375   12.773   74.451   97.937   74.239  112.363   75.122  199.788   40.723   15.573   50.027   20.251 -9.303608 25.54685 
1 1 1  -25    1   23 o  183.473   6.1733  2208.71  125.992  2275.34  147.582  2029.62  241.941  189.003   6.1487  177.942   10.707 11.06168 12.34663 
1 1 1  -25    1   24 f   58.550   13.637  145.628  106.690   74.636  121.367  387.046  223.812   41.646   16.117   75.455   22.002 -33.80887 27.27394 
1 1 1  -25    1   25 o   29.064   9.4067 -135.1717   84.696   3.9211  119.580 -275.1905  119.978   35.513   15.118   22.615   11.198 12.89807 18.81337 
1 1 1  -25    1   27 o   39.713   11.564   34.304   94.749   67.369  135.721   2.8687  132.333   42.356   16.847   37.069   15.845 5.287006 23.12746 
1 1 1  -25    1   28 f   40.032   11.941   17.524  103.031   50.129  158.114  -6.5375  135.827   43.295   17.829   36.769   15.889 6.526398 23.88165 
1 1 1  -25    1   29 o   42.396   12.277   43.531  108.926 -35.2161  159.273  112.727  149.301   37.827   16.750   46.966   17.953 -9.139168 24.55347 
1 1 1  -25    1   30 o  103.306   8.4090  706.730  109.943  662.769  158.436  747.559  152.688   99.998   12.476  106.613   11.278 -6.614273 16.81791 
1 1 1  -25    1   31 o   60.330   11.245  268.375   98.680   89.735  147.179  414.261  133.004   43.728   17.494   76.932   14.135 -33.20416 22.49045 
1 1 1  -25    1   32 o   20.643   10.442 -431.1597  134.325   0.0000   0.0000 -431.1597  134.325  ?   ?    20.643   10.442      ?      ? 
1 1 1  -25    1   33 o   42.827   17.773   90.201  158.814   90.201  158.814   0.0000   0.0000   42.827   17.773  ?   ?       ?      ? 
1 1 1  -25    3    1 o  431.975   3.9920 11852.28  218.984 11955.15  309.300 11748.89  310.082  433.855   5.6138  430.095   5.6772 3.760162 7.984089 
1 1 1  -25    3    2 o  418.447   5.4825 11120.92  291.336 11120.92  291.336   0.0000   0.0000  418.447   5.4825  ?   ?       ?      ? 
1 1 1  -25    3    3 o  1424.34   11.125 129083.10  2012.15 129953.60  2862.19 128232.50  2829.31  1429.08   15.771  1419.60   15.694 9.480347 22.24941 
1 1 1  -25    3    4 o  944.489   7.5305 56690.30  903.117 56239.39  1265.37 57158.48  1289.37  940.666   10.593  948.312   10.707 -7.645386 15.06099 
1 1 1  -25    3    6 o  503.089   6.5216 16076.95  416.654   0.0000   0.0000 16076.95  416.654  ?   ?   503.089   6.5216      ?      ? 
1 1 1  -25    3    7 o  340.149   4.0001  7350.34  172.717  7409.52  241.375  7288.25  247.249  341.554   5.5649  338.744   5.7476 2.809967 8.000162 
1 1 1  -25    3    8 o  858.599   6.9516 46838.07  757.789 46369.84  1058.00 47331.30  1085.89  854.200   9.7533  862.999   9.9083 -8.798584 13.90326 
1 1 1  -25    3   10 o  481.500   4.7231 14711.54  288.388 14447.39  395.908 15010.14  420.927  476.905   6.5371  486.096   6.8188 -9.190704 9.446123 
1 1 1  -25    3   11 o  728.958   6.1272 33764.26  567.176 34248.72  804.260 33284.96  799.974  734.162   8.6263  723.754   8.7038 10.40814 12.25435 
1 1 1  -25    3   12 o   74.891   11.402  374.243  104.783  337.496  156.771  403.915  140.871   71.379   17.443   78.404   14.688 -7.024712 22.80339 
1 1 1  -25    3   13 o  154.718   6.0959  1510.53  119.302  1705.32  176.789  1347.66  161.661  163.814   8.4982  145.622   8.7418 18.19177 12.19173 
1 1 1  -25    3   14 o  242.408   4.5236  3734.44  139.212  3814.69  196.033  3652.79  197.728  245.039   6.2997  239.778   6.4935 5.260132 9.047189 
1 1 1  -25    3   15 o  319.410   4.3234  6484.62  175.318  6638.24  247.346  6329.52  248.534  323.216   6.0261  315.604   6.2011 7.612183 8.646762 
1 1 1  -25    3   16 o  219.702   5.1089  3071.09  142.245  2820.06  199.636  3329.97  202.730  210.566   7.4657  228.837   6.9761 -18.27071 10.21779 
1 1 1  -25    3   17 o  279.485   4.6769  4970.64  165.926  5057.65  232.692  4880.63  236.669  281.983   6.4980  276.987   6.7283 4.995880 9.353844 
1 1 1  -25    3   18 o  232.334   4.9836  3436.07  147.016  3374.66  208.279  3497.05  207.548  230.259   7.1228  234.409   6.9721 -4.150192 9.967196 
1 1 1  -25    3   19 o  114.265   7.1602  840.120   96.328  851.455  116.629  815.791  170.866  115.606   7.9441  112.924   11.915 2.682022 14.32041 
1 1 1  -25    3   20 o  162.152   6.1458  1816.90  112.715  2046.91  137.385  1343.27  197.144  179.351   6.0319  144.953   10.710 34.39812 12.29154 
1 1 1  -25    3   21 o  187.823   5.3274  2204.01  117.349  2135.89  140.098  2364.18  214.824  183.184   6.0224  192.461   8.7895 -9.277390 10.65474 
1 1 1  -25    3   22 f   88.146   10.054  495.209  104.116  468.331  127.056  550.150  181.656   85.437   11.710   90.855   16.345 -5.417763 20.10732 
1 1 1  -25    3   23 o   72.792   12.348  368.254  104.550  392.399  121.148  297.802  206.944   78.100   12.215   67.485   21.463 10.61573 24.69543 
1 1 1  -25    3   24 o   99.385   10.017  691.951  110.041  765.217  134.179  541.445  192.311  109.257   9.6707   89.513   17.545 19.74381 20.03368 
1 1 1  -25    3   25 f   23.896   8.5873 -425.9360  102.154 -410.2649  119.808 -467.6682  195.511   19.482   9.8560   28.310   14.065 -8.827990 17.17457 
1 1 1  -25    3   26 f   34.414   10.898 -143.8222  116.965   49.269  133.161 -795.9390  244.713   40.654   16.507   28.175   14.234 12.47900 21.79593 
1 1 1  -25    3   27 o   35.329   11.003 -36.5248   97.447 -93.1186  144.772   10.358  131.767   33.180   15.204   37.478   15.910 -4.297169 22.00651 
1 1 1  -25    3   28 o   64.723   12.870  292.973  110.204  258.010  169.946  318.344  144.767   61.645   19.434   67.801   16.879 -6.155964 25.74032 
1 1 1  -25    3   29 o   78.886   11.224  429.272  107.702  441.647  164.223  419.932  142.668   79.558   16.782   78.214   14.908 1.343262 22.44756 
1 1 1  -25    3   30 o   61.945   12.672  269.335  103.345  308.044  166.269  244.966  131.923   65.164   18.953   58.726   16.826 6.438293 25.34421 
1 1 1  -25    3   31 o  ?   ?  -809.9450  106.083 -885.5638  171.052 -762.6818  135.231  ?   ?   ?   ?       ?      ? 
1 1 1  -25    3   32 o   38.875   11.759   26.540  106.021 -43.8654  154.115   89.793  146.079   35.115   15.935   42.635   17.297 -7.519909 23.51797 
1 1 1  -25    3   33 o   55.823   13.061  254.033  114.071  152.179  175.488  328.559  150.111   47.717   19.098   63.929   17.822 -16.21143 26.12159 
1 1 1  -25    5    1 o  994.761   7.9067 62901.23  998.820 63226.61  1416.20 62579.20  1408.92  997.321   11.182  992.201   11.182 5.119263 15.81339 
1 1 1  -25    5    2 o  1006.44   8.0067 64390.05  1023.33 64578.64  1447.05 64201.38  1447.37  1007.91   11.305  1004.96   11.341 2.951904 16.01337 
1 1 1  -25    5    3 o  236.923   3.9628  3579.45  117.986  3671.30  157.106  3460.64  178.685  240.428   5.1455  233.418   6.0280 7.009827 7.925505 
1 1 1  -25    5    4 o  355.729   3.9571  8043.75  178.387  8144.86  245.358  7930.38  259.817  358.106   5.3952  353.353   5.7900 4.753357 7.914118 
1 1 1  -25    5    5 o  574.040   5.0636 20920.67  368.624 20705.47  506.993 21162.02  536.918  570.917   6.9928  577.164   7.3254 -6.247498 10.12723 
1 1 1  -25    5    7 o  187.647   5.0333  2242.98  119.150  2567.71  169.916  1928.81  167.127  201.051   6.6550  174.242   7.5530 26.80969 10.06659 
1 1 1  -25    5    8 o  575.739   5.1492 21026.23  375.706 20590.15  512.864 21531.29  551.943  569.314   7.0937  582.164   7.4657 -12.85059 10.29842 
1 1 1  -25    5    9 f  144.768   5.8324  1330.54  106.962  1316.73  145.894  1346.58  157.282  143.959   7.9803  145.576   8.5077 -1.616699 11.66476 
1 1 1  -25    5   10 o  817.888   6.7267 42511.57  698.482 42384.88  975.771 42644.70  1000.29  816.647   9.4088  819.130   9.6160 -2.482727 13.45342 
1 1 1  -25    5   11 o  117.129   7.2257  872.106  107.382  922.126  152.952  823.488  150.792  120.444   9.9999  113.814   10.433 6.629433 14.45141 
1 1 1  -25    5   12 o  565.492   7.0837 20317.59  508.700 20317.59  508.700   0.0000   0.0000  565.492   7.0837  ?   ?       ?      ? 
1 1 1  -25    5   13 o   40.585   12.009   16.806  103.762   9.7569  150.284   23.228  143.437   40.559   17.092   40.612   16.875 -0.5219269E-01 24.01869 
1 1 1  -25    5   14 o  162.784   5.5973  1685.25  115.549  1803.06  164.675  1570.98  162.177  168.395   7.7005  157.172   8.1252 11.22298 11.19452 
1 1 1  -25    5   15 o  408.057   4.5575 10597.66  212.208 10611.04  250.286 10563.46  400.226  408.638   4.8230  407.477   7.7344 1.161743 9.114933 
1 1 1  -25    5   16 o  162.205   5.8070  1673.02  119.617  1673.02  119.617   0.0000   0.0000  162.205   5.8070  ?   ?       ?      ? 
1 1 1  -25    5   17 o  294.222   4.2841  5532.12  146.775  5571.58  175.828  5441.44  266.569  296.065   4.6765  292.379   7.1794 3.686005 8.568147 
1 1 1  -25    5   18 o   89.439   8.3601  502.405   90.369  482.600  110.821  541.710  156.122   86.949   10.036   91.930   13.373 -4.981766 16.72028 
1 1 1  -25    5   19 o  205.077   4.6707  2738.30  113.681  2860.02  139.780  2500.49  195.376  212.063   5.1904  198.091   7.7666 13.97186 9.341314 
1 1 1  -25    5   20 o   95.407   8.2743  602.065   96.201  667.813  124.370  504.136  151.786  102.243   9.5786   88.571   13.495 13.67244 16.54860 
1 1 1  -25    5   21 o  136.428   6.4658  1174.09  107.154  1138.96  132.451  1240.64  182.301  133.627   7.8052  139.230   10.311 -5.602615 12.93163 
1 1 1  -25    5   22 o   37.865   11.631 -14.9411   98.823 -16.7752  121.261 -11.3138  170.528   34.394   14.937   41.336   17.833 -6.942360 23.26235 
1 1 1  -25    5   23 o  183.858   5.4306  2183.79  122.572  2262.74  156.252  2057.48  197.636  188.376   6.5317  179.340   8.6778 9.036285 10.86127 
1 1 1  -25    5   24 o  112.699   8.1117  845.731  109.632  915.307  137.905  726.242  180.724  119.514   9.0862  105.885   13.440 13.62904 16.22335 
1 1 1  -25    5   25 o  416.844   5.6616 10103.44  282.927 16759.27  483.258  6632.32  348.990  511.973   7.4328  321.715   8.5421 190.2580 11.32320 
1 1 1  -25    5   26 o   71.712   13.938  360.949  128.640  387.173  159.821  312.702  216.779   75.162   17.126   68.263   21.994 6.898895 27.87560 
1 1 1  -25    5   27 o  100.180   10.273  632.782  125.325  571.163  153.689  755.077  216.514   93.550   12.937  106.810   15.962 -13.25933 20.54638 
1 1 1  -25    5   28 f  115.003   12.388  1075.84  149.060  1443.27  189.133  473.448  242.172  149.229   9.9802   80.777   22.678 68.45144 24.77687 
1 1 1  -25    5   29 o   61.446   12.935  255.667  111.251  367.070  167.842  168.369  148.579   71.482   18.385   51.410   18.200 20.07244 25.86993 
1 1 1  -25    5   30 o   83.552   11.286  538.698  108.637  355.153  182.355  639.682  135.260   68.824   19.800   98.279   10.838 -29.45556 22.57231 
1 1 1  -25    5   31 o   31.785   10.672 -287.2538  119.741   13.197  182.511 -514.3125  158.661   41.305   18.124   22.266   11.273 19.03972 21.34358 
1 1 1  -25    5   32 o   28.100   13.556 -178.5286  144.977   0.0000   0.0000 -178.5286  144.977  ?   ?    28.100   13.556      ?      ? 
1 1 1  -25    5   33 o   40.956   17.193   83.760  151.139   0.0000   0.0000   83.760  151.139  ?   ?    40.956   17.193      ?      ? 
1 1 1  -25    7    1 o  638.078   5.3878 25868.59  436.526 25975.02  613.238 25759.26  621.528  639.411   7.5522  636.744   7.6863 2.667664 10.77565 
1 1 1  -25    7    2 o  398.669   4.1304 10105.41  208.365 10220.22  283.808  9971.18  306.887  401.134   5.5713  396.204   6.0993 4.929504 8.260839 
1 1 1  -25    7    3 o  637.657   5.4206 25834.50  438.813 25891.39  613.349 25774.83  628.064  638.382   7.5657  636.933   7.7648 1.448303 10.84124 
1 1 1  -25    7    4 o  136.326   5.4962  1181.79   95.071  1220.63  133.312  1141.60  135.621  138.610   7.5735  134.043   7.9672 4.566650 10.99244 
1 1 1  -25    7    5 o  159.975   5.0215  1604.64  100.961  1488.29  131.870  1769.43  156.941  153.062   6.7842  166.887   7.4052 -13.82481 10.04304 
1 1 1  -25    7    6 o  968.737   7.7853 59652.10  957.473 59230.37  1335.54 60098.07  1373.39  965.227   10.896  972.247   11.123 -7.018982 15.57066 
1 1 1  -25    7    7 o  340.135   4.2163  7365.23  181.110  7517.06  245.031  7182.40  268.885  344.015   5.6088  336.255   6.2968 7.759888 8.432556 
1 1 1  -25    7    8 o  478.639   4.6741 14557.59  283.510 14611.34  388.890 14496.63  414.194  479.591   6.3853  477.688   6.8278 1.902222 9.348289 
1 1 1  -25    7    9 o  341.972   4.2479  7432.37  183.893  7473.19  250.661  7384.79  270.611  342.996   5.7547  340.949   6.2500 2.047333 8.495798 
1 1 1  -25    7   10 o  224.127   4.6859  3164.36  131.266  3045.61  169.717  3341.16  207.089  218.949   6.1039  229.304   7.1116 -10.35497 9.371866 
1 1 1  -25    7   11 o  269.943   4.2029  4603.93  137.301  4545.31  169.577  4715.50  233.944  267.489   4.9921  272.397   6.7629 -4.907867 8.405826 
1 1 1  -25    7   12 o  102.955   6.8662  663.561   83.169  645.927   99.637  704.076  151.029  100.782   7.7851  105.130   11.313 -4.348091 13.73247 
1 1 1  -25    7   13 o  153.259   5.0608  1511.99   91.547  1544.16  111.280  1444.64  161.030  155.862   5.6221  150.656   8.4167 5.206009 10.12170 
1 1 1  -25    7   14 o  173.861   4.7779  1831.69   99.515  1667.53  119.812  2196.86  178.699  161.939   5.8260  185.782   7.5743 -23.84213 9.555718 
1 1 1  -25    7   15 o  261.704   4.2379  4434.09  131.388  4582.73  160.767  4135.14  227.994  268.511   4.7147  254.897   7.0434 13.61353 8.475727 
1 1 1  -25    7   16 o  454.364   4.8700 13052.55  251.461 12944.76  295.145 13337.98  480.293  451.208   5.1509  457.520   8.2665 -6.311096 9.739904 
1 1 1  -25    7   17 o  102.723   6.8465  666.842   87.298  643.201  111.310  704.622  140.710  100.432   8.7275  105.014   10.551 -4.582428 13.69293 
1 1 1  -25    7   18 o  119.224   6.4257  943.286   92.391  1050.13  118.071  774.536  148.385  128.391   7.2415  110.056   10.617 18.33430 12.85141 
1 1 1  -25    7   19 o   59.048   11.340  236.898   90.307  305.963  121.052  150.217  135.613   67.665   14.522   50.431   17.420 17.23412 22.67905 
1 1 1  -25    7   20 o  198.345   4.8055  2519.59  118.411  2570.36  153.240  2444.35  186.549  200.915   6.0059  195.774   7.5034 5.140732 9.611072 
1 1 1  -25    7   21 o   32.071   10.410 -89.7206   94.369 -74.6631  120.367 -113.7401  152.024   30.678   13.984   33.463   15.424 -2.784960 20.81945 
1 1 1  -25    7   22 o  117.090   8.1481  950.036  111.117  1116.51  140.730  674.433  181.074  132.131   8.3870  102.050   13.972 30.08106 16.29616 
1 1 1  -25    7   23 o  100.998   9.0106  650.550  106.921  636.061  128.176  683.695  193.869   99.509   10.143  102.487   14.896 -2.978508 18.02123 
1 1 1  -25    7   24 o  138.528   13.848  1248.38  243.622   0.0000   0.0000  1248.38  243.622  ?   ?   138.528   13.848      ?      ? 
1 1 1  -25    7   25 o  112.309   9.6544  742.932  127.080  632.190  149.042  1037.85  243.220   98.805   11.878  125.812   15.223 -27.00715 19.30878 
1 1 1  -25    7   26 o   37.135   11.936 -148.4191  134.282   18.476  169.650 -428.3683  219.722   42.473   18.042   31.796   15.630 10.67690 23.87125 
1 1 1  -25    7   27 o   63.188   14.630  268.661  132.796  255.113  169.409  290.254  213.873   61.077   19.419   65.300   21.889 -4.222969 29.26087 
1 1 1  -25    7   28 o   78.069   12.348  443.694  137.164  748.879  190.167  112.745  198.031  105.795   14.154   50.343   20.238 55.45177 24.69687 
1 1 1  -25    7   29 o   30.241   10.423 -319.9756  133.586 -174.0263  170.465 -552.2447  215.045   32.336   15.352   28.147   14.101 4.188663 20.84554 
1 1 1  -25    7   31 o   34.562   15.230  -0.3346  130.118   0.0000   0.0000  -0.3346  130.118  ?   ?    34.562   15.230      ?      ? 
1 1 1  -25    7   32 o   50.747   17.995  203.365  145.315   0.0000   0.0000  203.365  145.315  ?   ?    50.747   17.995      ?      ? 
1 1 1  -25    9    1 o  227.568   4.1137  3284.12  117.140  3255.13  152.786  3325.46  182.459  226.363   5.3149  228.773   6.2803 -2.410141 8.227459 
1 1 1  -25    9    2 o  232.326   4.0805  3440.87  119.599  3543.10  161.584  3317.00  177.862  236.164   5.3878  228.488   6.1297 7.675583 8.160983 
1 1 1  -25    9    3 o   74.747   7.6764  307.600   65.323  256.153   74.902  471.046  133.505   63.469   9.2929   86.024   12.221 -22.55455 15.35271 
1 1 1  -25    9    4 o   78.594   8.1373  418.127   69.552  442.734   82.599  358.162  128.943   83.458   7.7934   73.730   14.287 9.728828 16.27467 
1 1 1  -25    9    5 o  141.426   5.1531  1301.67   80.944  1335.87   94.599  1208.18  156.400  145.012   5.1370  137.839   8.9348 7.172409 10.30626 
1 1 1  -25    9    6 o  340.448   4.1629  7242.90  157.306  7118.04  181.753  7615.67  314.039  334.754   4.2754  346.142   7.1442 -11.38834 8.325751 
1 1 1  -25    9    7 o   89.673   6.7880  488.329   71.186  455.197   84.173  571.542  133.397   84.608   7.8340   94.738   11.088 -10.12943 13.57607 
1 1 1  -25    9    8 o  209.773   4.2419  2885.77  102.104  3016.39  122.316  2585.57  185.435  217.898   4.4203  201.648   7.2413 16.25029 8.483871 
1 1 1  -25    9    9 o  420.145   4.6287 11116.95  217.186 11001.34  252.189 11448.85  427.313  416.093   4.7726  424.198   7.9323 -8.105225 9.257414 
1 1 1  -25    9   10 o  228.447   4.1961  3392.15  110.343  3500.38  131.970  3140.70  201.158  234.705   4.4277  222.189   7.1291 12.51642 8.392189 
1 1 1  -25    9   11 o   55.146   11.320  195.788   80.764  190.732   99.090  205.793  139.399   53.638   14.290   56.654   17.559 -3.016689 22.63911 
1 1 1  -25    9   12 o  324.836   4.5644  6746.36  184.537  6888.06  239.725  6540.27  289.106  329.109   5.7358  320.562   7.1018 8.547424 9.128789 
1 1 1  -25    9   13 f  130.986   6.0777  1110.14   92.957  1137.32  112.123  1050.38  166.247  133.688   6.6042  128.283   10.205 5.405670 12.15547 
1 1 1  -25    9   14 o   72.761   9.2029  366.119   77.671  414.641   97.492  281.805  128.514   80.613   9.5233   64.910   15.751 15.70268 18.40583 
1 1 1  -25    9   15 f  224.739   4.2712  3232.99  114.356  3269.95  139.805  3158.25  198.786  226.776   4.8545  222.701   7.0289 4.075027 8.542359 
1 1 1  -25    9   16 o  224.970   4.3405  3227.82  116.352  3240.08  141.990  3202.77  202.997  225.716   4.9535  224.224   7.1290 1.492126 8.681027 
1 1 1  -25    9   17 o  253.207   4.3185  4066.83  131.177  4036.82  160.707  4126.73  227.068  251.920   5.0234  254.495   7.0259 -2.575241 8.636937 
1 1 1  -25    9   18 o  192.750   4.8509  2421.60  113.567  2574.15  143.887  2169.56  184.954  201.098   5.6342  184.401   7.8981 16.69716 9.701792 
1 1 1  -25    9   19 o  251.815   4.4273  3974.00  134.432  3836.94  164.579  4248.76  233.028  245.523   5.2785  258.108   7.1093 -12.58559 8.854631 
1 1 1  -25    9   20 o  146.702   6.0570  1394.07  109.498  1456.29  140.764  1298.72  174.246  151.042   7.3386  142.363   9.6380 8.678589 12.11393 
1 1 1  -25    9   21 o  170.615   5.6078  1847.49  114.717  1820.29  140.250  1902.47  199.407  168.919   6.5380  172.311   9.1127 -3.391891 11.21551 
1 1 1  -25    9   22 o  285.091   6.2812  3912.23  196.757  2388.39  223.724  9114.85  413.385  192.983   9.1289  377.198   8.6299 -184.2154 12.56231 
1 1 1  -25    9   23 o   84.953   11.973  417.044  121.932  268.606  146.371  753.612  220.403   62.821   17.629  107.084   16.207 -44.26312 23.94674 
1 1 1  -25    9   24 o   57.127   13.209  166.509  116.425   48.277  147.575  361.386  189.463   42.120   17.271   72.134   19.991 -30.01456 26.41801 
1 1 1  -25    9   25 o   57.411   13.360  219.003  119.379  297.603  151.151   88.682  194.630   65.485   17.737   49.338   19.983 16.14725 26.71930 
1 1 1  -25    9   26 o  133.813   7.7902  1141.20  130.731  939.973  171.480  1420.47  202.012  119.973   11.255  147.654   10.773 -27.68126 15.58035 
1 1 1  -25    9   27 o   63.586   16.673  268.441  170.410  232.722  318.982  282.706  201.589   63.972   25.697   63.200   21.250 0.7722588 33.34525 
1 1 1  -25    9   28 o   50.675   15.665   53.519  177.713   57.624  326.932   51.797  211.725   54.707   24.122   46.643   19.993 8.064541 31.33022 
1 1 1  -25    9   29 o  ?   ?  -968.9203  181.152 -1244.1379  321.107 -840.4366  219.399  ?   ?   ?   ?       ?      ? 
1 1 1  -25    9   30 f   45.278   14.673 -25.9768  184.161   65.202  299.813 -81.2245  233.378   50.062   22.517   40.494   18.820 9.567459 29.34585 
1 1 1  -25    9   31 o   42.662   13.434   48.125  146.291   75.065  189.031   7.8970  230.993   42.920   18.645   42.404   19.345 0.5154572 26.86784 
1 1 1  -25   11    1 o  173.049   4.2377  1929.82   83.988  1964.31   99.728  1845.67  155.765  175.806   4.4669  170.291   7.2028 5.515244 8.475419 
1 1 1  -25   11    2 o  383.072   4.3562  9230.75  184.750  9125.72  213.484  9544.01  368.706  378.937   4.4363  387.206   7.4983 -8.268585 8.712323 
1 1 1  -25   11    3 o  112.970   5.7271  831.730   72.565  854.565   85.301  771.926  138.044  115.923   5.7944  110.017   9.8805 5.906197 11.45424 
1 1 1  -25   11    4 o  338.098   4.1535  7303.35  157.885  7342.64  184.745  7196.94  304.047  339.916   4.2798  336.279   7.1197 3.636597 8.307053 
1 1 1  -25   11    5 o  246.129   3.9825  3805.44  113.303  3741.17  134.207  3964.92  211.402  242.627   4.3557  249.631   6.6686 -7.003479 7.965048 
1 1 1  -25   11    6 o  172.172   4.6030  1896.31   91.387  1910.87  108.724  1861.24  168.691  173.378   4.9380  170.966   7.7697 2.411148 9.206077 
1 1 1  -25   11    7 o   34.008   10.239   6.2582   72.240   12.878   86.117  -9.4625  132.706   31.311   13.048   36.704   15.783 -5.393930 20.47840 
1 1 1  -25   11    8 o   58.633   10.501  239.390   75.394  264.663   90.451  181.857  136.471   63.362   11.671   53.905   17.460 9.457069 21.00135 
1 1 1  -25   11    9 o  314.675   4.4797  6294.00  179.013  6294.00  179.013   0.0000   0.0000  314.675   4.4797  ?   ?       ?      ? 
1 1 1  -25   11   10 o  133.661   5.2912  1166.83   84.277  1228.67  104.282  1050.40  143.093  138.973   5.9089  128.348   8.7791 10.62411 10.58241 
1 1 1  -25   11   11 o  394.454   4.4829  9849.56  201.210  9783.86  236.442 10022.07  383.125  392.283   4.7462  396.626   7.6065 -4.343201 8.965752 
1 1 1  -25   11   12 o  208.053   4.3304  2765.42  108.856  2789.63  134.929  2720.28  184.230  209.437   5.0731  206.668   7.0196 2.769791 8.660863 
1 1 1  -25   11   13 o  163.681   4.8456  1726.19   94.549  1765.69  116.024  1648.09  163.129  166.592   5.4843  160.770   7.9900 5.821671 9.691109 
1 1 1  -25   11   14 f  246.277   4.2450  3776.82  123.506  3639.66  148.168  4089.09  223.566  239.217   4.8774  253.338   6.9491 -14.12094 8.489923 
1 1 1  -25   11   15 o  118.400   6.5815  869.228   96.362  786.953  120.932  1012.32  159.485  111.014   8.5780  125.786   9.9841 -14.77157 13.16301 
1 1 1  -25   11   16 o  161.033   5.4002  1678.34  107.007  1760.08  137.406  1552.35  170.581  166.195   6.5104  155.872   8.6176 10.32373 10.80037 
1 1 1  -25   11   17 o  136.620   6.1000  1199.05  102.684  1217.44  130.863  1169.59  165.642  138.108   7.4614  135.131   9.6525 2.977432 12.20009 
1 1 1  -25   11   18 o  160.268   5.6559  1683.03  110.552  1814.18  141.510  1477.62  177.097  168.650   6.6073  151.886   9.1816 16.76373 11.31183 
1 1 1  -25   11   19 o   74.131   11.996  347.155  106.523  281.035  130.510  479.115  184.372   64.368   16.028   83.895   17.854 -19.52753 23.99230 
1 1 1  -25   11   20 o  440.691   9.3127 12463.15  521.180   0.0000   0.0000 12463.15  521.180  ?   ?   440.691   9.3127      ?      ? 
1 1 1  -25   11   21 o   39.861   12.070 -161.9098  117.086 -331.0502  144.908  156.196  198.726   24.798   12.283   54.924   20.780 -30.12535 24.13916 
1 1 1  -25   11   22 o   56.310   13.359  203.732  111.007  217.104  139.660  180.788  182.935   57.001   17.561   55.619   20.135 1.382126 26.71720 
1 1 1  -25   11   23 o   39.934   12.134 -49.0513  122.246   97.590  162.495 -240.2636  185.553   47.152   18.535   32.717   15.667 14.43490 24.26879 
1 1 1  -25   11   24 o   42.844   12.515 -16.0784  118.929 -150.2085  156.872  165.207  182.375   32.052   15.068   53.636   19.987 -21.58353 25.03054 
1 1 1  -25   11   25 o   55.253   15.071  158.765  161.284 -75.5717  280.028  275.087  197.294   47.774   21.599   62.731   21.023 -14.95673 30.14102 
1 1 1  -25   11   26 o   41.653   13.898 -136.0176  158.139 -176.5412  337.604 -124.6271  178.989   48.026   22.425   35.280   16.425 12.74633 27.79640 
1 1 1  -25   11   27 o  207.007   7.5489  2685.78  189.828  1812.71  240.582  4125.94  308.990  164.243   11.534  249.771   9.7415 -85.52739 15.09770 
1 1 1  -25   11   28 o   34.310   11.525 -202.4731  142.045 -396.9741  216.036 -54.3527  188.526   30.522   15.097   38.098   17.418 -7.576410 23.04984 
1 1 1  -25   11   29 o   34.797   11.826 -195.9357  152.171 -212.2854  225.696 -182.3087  206.049   35.249   16.982   34.345   16.463 0.9034843 23.65178 
1 1 1  -25   13    1 o  236.688   4.0380  3505.83  106.777  3443.13  123.796  3688.02  211.013  232.735   4.1886  240.640   6.9050 -7.905212 8.076081 
1 1 1  -25   13    2 o   44.595   10.097  128.348   69.403  179.051   83.931   18.714  123.418   51.822   12.823   37.368   15.601 14.45440 20.19465 
1 1 1  -25   13    3 o  254.450   4.0782  4087.33  117.633  4048.54  137.814  4191.47  225.790  252.361   4.3002  256.539   6.9306 -4.178009 8.156332 
1 1 1  -25   13    4 o  216.247   4.1851  2916.86  101.995  2850.50  118.708  3104.02  199.358  211.748   4.4145  220.746   7.1115 -8.998795 8.370297 
1 1 1  -25   13    5 o  108.938   6.0731  722.666   78.404  667.305   93.616  852.724  143.488  102.345   7.2028  115.532   9.7800 -13.18673 12.14615 
1 1 1  -25   13    6 o  129.626   5.5769  1118.11   82.187  1184.93   98.318  963.112  149.743  136.464   5.6734  122.789   9.6031 13.67487 11.15379 
1 1 1  -25   13    7 o  229.189   4.5957  3339.35  132.655  3303.51  176.176  3386.26  201.585  227.811   6.0897  230.567   6.8847 -2.755844 9.191476 
1 1 1  -25   13    8 o  301.083   4.0876  5742.14  143.910  5700.10  172.330  5839.01  261.592  299.404   4.5324  302.761   6.8037 -3.356659 8.175159 
1 1 1  -25   13    9 o  294.005   4.1489  5496.72  142.925  5488.00  171.670  5516.41  258.018  293.766   4.6017  294.244   6.9050 -0.4784546 8.297860 
1 1 1  -25   13   10 o  200.253   4.4856  2573.83  108.298  2618.79  134.234  2490.02  183.291  202.876   5.2102  197.630   7.3032 5.246231 8.971202 
1 1 1  -25   13   11 o  243.742   4.3010  3775.89  125.371  3760.89  153.244  3806.25  218.015  243.132   4.9632  244.352   7.0257 -1.220047 8.601997 
1 1 1  -25   13   12 o   37.629   10.996   1.8573   85.564 -52.5684  108.214   92.645  139.763   30.002   13.508   45.257   17.354 -15.25516 21.99102 
1 1 1  -25   13   13 o  143.859   5.7258  1289.07  102.353  1173.90  129.710  1479.12  166.625  135.614   7.5316  152.103   8.6263 -16.48903 11.45156 
1 1 1  -25   13   14 o  204.588   4.4830  2672.87  110.294  2682.42  135.845  2654.39  188.932  205.258   5.2115  203.918   7.2958 1.340332 8.965991 
1 1 1  -25   13   15 o  185.419   5.0025  2185.29  112.764  2162.31  140.134  2227.49  189.937  184.183   5.9912  186.656   8.0129 -2.472458 10.00507 
1 1 1  -25   13   16 f  187.375   5.6185  2120.67  121.789  1960.67  142.681  2550.19  233.775  175.312   6.4088  199.438   9.2303 -24.12616 11.23702 
1 1 1  -25   13   17 o  502.987   5.5566 16575.88  314.921 17064.22  371.510 15329.06  593.619  517.385   5.6543  488.588   9.5672 28.79657 11.11321 
1 1 1  -25   13   18 o   54.467   12.346   8.4837  118.754 -198.5477  144.049  447.686  209.809   28.675   13.750   80.259   20.509 -51.58422 24.69172 
1 1 1  -25   13   19 o  100.122   9.6151  613.631  118.413  467.326  148.336  870.637  196.603   84.634   13.801  115.610   13.391 -30.97570 19.23027 
1 1 1  -25   13   20 o   99.652   9.6327  657.297  116.122  489.569  159.240  847.789  169.702   85.027   15.310  114.276   11.694 -29.24820 19.26536 
1 1 1  -25   13   21 f   69.862   13.230  337.986  117.700  321.494  150.944  363.569  187.997   67.935   17.415   71.789   19.920 -3.854324 26.45907 
1 1 1  -25   13   22 f  163.566   7.7206  1755.06  158.921  1664.16  237.418  1828.86  213.912  159.368   11.731  167.764   10.041 -8.395309 15.44116 
1 1 1  -25   13   23 o   81.138   15.281  503.301  152.264  430.234  290.588  530.955  178.771   75.477   25.513   86.800   16.826 -11.32301 30.56169 
1 1 1  -25   13   24 o   77.373   14.847  485.772  159.322  266.949  260.123  617.144  201.550   62.440   23.738   92.306   17.840 -29.86600 29.69435 
1 1 1  -25   13   25 o  228.908   7.0930  3441.41  201.401  3319.89  256.775  3635.69  324.674  224.661   9.0001  233.155   10.965 -8.493744 14.18595 
1 1 1  -25   13   26 f   47.279   14.113   76.480  147.724  198.576  222.149 -20.3113  197.793   54.070   21.538   40.489   18.243 13.58086 28.22562 
1 1 1  -25   13   27 o   66.832   14.015  361.567  146.452  128.860  204.723  605.474  209.591   47.675   20.012   85.989   19.626 -38.31350 28.02944 
1 1 1  -25   13   28 o   64.938   23.129  415.886  240.311  415.886  240.311   0.0000   0.0000   64.938   23.129  ?   ?       ?      ? 
1 1 1  -25   15    1 o  184.548   4.5413  2212.36   98.297  2283.92  119.242  2060.60  173.644  189.438   4.9566  179.658   7.6109 9.779449 9.082574 
1 1 1  -25   15    2 o  233.023   4.2208  3466.50  115.690  3478.63  139.581  3439.90  206.780  233.821   4.7007  232.224   7.0117 1.597168 8.441616 
1 1 1  -25   15    3 o  156.361   5.0761  1580.04   95.258  1624.37  117.859  1496.53  161.768  159.693   5.8116  153.028   8.3242 6.665222 10.15223 
1 1 1  -25   15    4 o  288.918   4.3180  5334.26  144.577  5356.89  172.477  5280.77  265.133  290.159   4.6808  287.676   7.2574 2.483276 8.635953 
1 1 1  -25   15    5 o  119.881   6.6547  965.636   93.333  1055.34  115.159  793.920  159.333  128.616   7.0506  111.145   11.288 17.47044 13.30943 
1 1 1  -25   15    6 o   95.645   7.6795  588.888   85.675  591.017  102.735  584.026  155.250   96.146   8.4141   95.143   12.849 1.003654 15.35904 
1 1 1  -25   15    7 o  134.454   5.6794  1073.81   90.087  951.899  106.585  1378.77  168.570  122.151   6.8710  146.758   9.0449 -24.60640 11.35871 
1 1 1  -25   15    8 o   72.411   9.8345  296.542   84.929  182.208  102.091  553.477  153.043   52.266   14.742   92.555   13.021 -40.28884 19.66902 
1 1 1  -25   15    9 o  111.514   6.9224  713.966   91.544  579.190  108.287  1051.55  171.379   95.099   8.9665  127.929   10.549 -32.82983 13.84488 
1 1 1  -25   15   10 f  242.696   4.5321  3660.68  130.339  3500.05  156.551  4023.54  235.299  234.422   5.2587  250.970   7.3828 -16.54765 9.064198 
1 1 1  -25   15   11 o   51.958   12.606  129.524   90.719   86.172  104.615  260.959  182.157   40.890   15.157   63.026   20.146 -22.13624 25.21150 
1 1 1  -25   15   12 o  296.028   8.0707  5607.86  303.404   0.0000   0.0000  5607.86  303.404  ?   ?   296.028   8.0707      ?      ? 
1 1 1  -25   15   13 o  250.687   4.9567  4068.81  142.624  4143.25  169.669  3889.52  263.312  254.995   5.2396  246.380   8.4157 8.614914 9.913431 
1 1 1  -25   15   14 o   85.507   10.595  503.020  105.976  545.169  133.066  429.920  175.241   91.863   11.406   79.151   17.859 12.71161 21.19061 
1 1 1  -25   15   15 f  186.042   5.4753  2151.14  121.187  2038.23  145.860  2402.80  217.763  178.638   6.4296  193.446   8.8643 -14.80792 10.95063 
1 1 1  -25   15   16 f  161.924   6.3191  1724.39  120.898  1799.05  148.122  1575.37  209.252  167.690   6.9556  156.157   10.552 11.53314 12.63812 
1 1 1  -25   15   17 o  176.571   5.7788  2072.49  122.184  2244.96  153.472  1773.96  201.918  187.342   6.4509  165.801   9.5898 21.54106 11.55759 
1 1 1  -25   15   18 o  114.306   7.8983  852.700  113.239  865.746  149.662  835.230  173.188  115.564   10.198  113.048   12.064 2.516792 15.79650 
1 1 1  -25   15   19 o   45.088   12.742   82.582  106.805   71.448  133.724  102.197  177.495   41.899   16.704   48.278   19.246 -6.378460 25.48372 
1 1 1  -25   15   20 o   51.334   13.459 -38.6655  137.846  398.794  234.377 -270.0098  170.442   73.182   22.783   29.486   14.336 43.69646 26.91784 
1 1 1  -25   15   21 o   46.682   13.865   69.071  136.168   73.955  219.510   66.016  173.608   48.795   20.614   44.569   18.546 4.225609 27.72928 
1 1 1  -25   15   22 o   39.466   18.476 -550.0320  145.141 -809.5466  186.201 -148.1939  231.700  ?   ?    39.466   18.476      ?      ? 
1 1 1  -25   15   23 o   36.386   11.826 -197.3776  141.327 -522.5570  209.918   72.203  191.132   27.676   13.875   45.096   19.154 -17.42030 23.65109 
1 1 1  -25   15   24 o   27.929   9.9203 -486.2940  146.154 -548.2962  242.429 -450.8922  183.187   29.988   15.016   25.869   12.968 4.118504 19.84069 
1 1 1  -25   15   25 o   45.037   13.875 -39.4566  145.462  319.941  261.998 -199.6092  174.895   59.536   23.493   30.539   14.771 28.99616 27.75048 
1 1 1  -25   17    1 o  260.337   5.5215  4320.97  182.545  4320.97  182.545   0.0000   0.0000  260.337   5.5215  ?   ?       ?      ? 
1 1 1  -25   17    2 o  139.971   6.2548  1191.37  104.707  1075.84  125.746  1452.60  189.090  129.666   7.6364  150.275   9.9084 -20.60945 12.50965 
1 1 1  -25   17    3 o   73.741   10.989  322.276   93.325  246.651  110.156  514.596  175.666   60.315   14.550   87.168   16.473 -26.85321 21.97824 
1 1 1  -25   17    4 o  106.849   8.4320  733.685  100.838  728.111  117.435  749.332  196.749  106.550   8.6789  107.149   14.459 -0.5988998 16.86402 
1 1 1  -25   17    5 o   46.729   12.525   76.511   95.121   29.630  111.957  198.176  180.358   36.360   14.991   57.099   20.068 -20.73853 25.04963 
1 1 1  -25   17    6 o  168.408   6.1686  1768.28  129.239  1581.52  163.974  2074.57  209.986  157.097   8.2192  179.718   9.2007 -22.62138 12.33726 
1 1 1  -25   17    7 o   57.938   12.636  204.562   94.902  173.195  112.339  282.740  177.350   51.228   15.744   64.649   19.768 -13.42107 25.27119 
1 1 1  -25   17    8 o   36.003   11.189 -31.1111   95.410 -50.7086  120.046   2.4994  157.211   31.825   14.286   40.182   17.225 -8.356970 22.37897 
1 1 1  -25   17    9 o  107.186   7.3924  723.291   97.883  668.218  122.919  818.744  161.825  101.898   9.4989  112.475   11.330 -10.57744 14.78471 
1 1 1  -25   17   10 o   49.348   11.566   91.722   95.191 -35.2151  120.886  298.884  154.432   32.856   14.568   65.840   17.969 -32.98457 23.13229 
1 1 1  -25   17   11 o  123.831   7.4187  1007.10  109.413  1038.55  134.599  945.836  187.854  127.144   8.3362  120.518   12.274 6.625351 14.83736 
1 1 1  -25   17   12 o   37.957   11.624 -39.7408  103.144 -109.1603  131.263   72.308  166.765   30.295   14.091   45.619   18.490 -15.32417 23.24736 
1 1 1  -25   17   13 o   80.626   10.999  534.311  108.173  764.513  137.165  155.617  175.928  108.659   9.9403   52.593   19.624 56.06656 21.99791 
1 1 1  -25   17   14 o   43.329   11.991   77.916  100.762  143.857  125.916 -39.4995  168.023   48.077   16.775   38.582   17.138 9.494976 23.98178 
1 1 1  -25   17   15 o   63.945   12.510  304.257  108.158  370.059  134.891  185.785  180.997   73.094   15.034   54.795   19.999 18.29963 25.01961 
1 1 1  -25   17   16 o   55.884   12.621  217.846  106.816  292.764  140.175  114.102  164.953   64.086   16.960   47.682   18.696 16.40393 25.24224 
1 1 1  -25   17   17 o   42.471   13.018   12.811  130.887 -84.4006  213.729   71.146  165.565   40.703   18.584   44.238   18.234 -3.534409 26.03559 
1 1 1  -25   17   18 o  145.140   8.9357  1400.09  162.671  1132.49  216.818  1744.71  246.048  129.111   13.224  161.170   12.021 -32.05927 17.87135 
1 1 1  -25   17   19 o  159.161   12.709  2015.10  189.876  3700.75  278.545  551.916  259.514  236.794   9.2629   81.527   23.669 155.2670 25.41710 
1 1 1  -25   17   20 o   57.287   15.071  240.124  145.559  313.305  224.724  187.229  191.053   62.251   22.346   52.323   20.229 9.927940 30.14247 
1 1 1  -25   17   21 o   69.960   15.242  427.844  151.792  350.778  234.928  483.075  198.881   63.478   22.841   76.442   20.188 -12.96387 30.48380 
1 1 1  -25   17   22 o   41.639   13.073   33.380  139.354 -19.1273  202.149   80.929  192.368   39.559   18.067   43.719   18.900 -4.159328 26.14631 
1 1 1  -25   19    1 o   66.785   12.463  245.646  102.516  145.545  119.571  523.396  199.175   47.779   16.365   85.791   18.801 -38.01192 24.92542 
1 1 1  -25   19    2 o  117.081   7.6871  871.401  108.285  824.194  131.850  969.216  189.795  112.794   9.2048  121.368   12.314 -8.574051 15.37418 
1 1 1  -25   19    3 o  183.674   5.3336  2213.84  115.424  2292.31  140.765  2052.81  201.651  189.229   5.8578  178.119   8.9148 11.10980 10.66710 
1 1 1  -25   19    4 o   99.307   10.375  681.998  110.726  700.505  129.874  632.745  211.869  103.823   9.8503   94.792   18.263 9.031258 20.74977 
1 1 1  -25   19    5 o  119.694   7.8882  898.870  107.743  852.013  125.733  1028.37  209.024  114.786   8.6254  124.602   13.210 -9.816040 15.77635 
1 1 1  -25   19    6 o   71.158   12.474  368.966  106.752  390.602  127.540  318.344  195.090   75.592   13.794   66.724   20.788 8.868393 24.94820 
1 1 1  -25   19    7 o  193.888   5.5024  2361.47  124.391  2268.58  147.647  2588.66  230.904  188.061   6.1823  199.716   9.1042 -11.65451 11.00484 
1 1 1  -25   19    8 o   33.163   10.681 -72.5511   99.843  -6.7257  122.256 -204.3696  173.006   34.438   14.978   31.889   15.231 2.548870 21.36170 
1 1 1  -25   19    9 o   35.827   11.178 -38.9281  104.734   50.925  127.203 -228.0628  184.551   39.204   16.050   32.450   15.561 6.753838 22.35536 
1 1 1  -25   19   10 o   86.242   10.962  524.126  108.126  538.270  131.188  494.166  190.938   90.168   11.457   82.315   18.692 7.853233 21.92385 
1 1 1  -25   19   11 o  104.650   8.4544  714.622  107.242  678.386  131.862  785.414  184.310  101.495   10.231  107.805   13.463 -6.309982 16.90879 
1 1 1  -25   19   12 o   99.067   10.576  679.467  111.581  674.950  129.303  692.638  220.817  101.122   10.069   97.012   18.601 4.109825 21.15110 
1 1 1  -25   19   13 o  116.410   9.0486  656.877  169.118 -474.5938  209.318  2784.09  287.005   28.718   14.314  204.101   11.073 -175.3825 18.09712 
1 1 1  -25   19   14 o   76.870   14.084  449.050  137.616  377.996  179.461  550.468  214.405   69.823   19.494   83.918   20.333 -14.09512 28.16774 
1 1 1  -25   19   15 o   54.243   12.697  183.072  123.345  389.024  170.736 -41.7527  178.388   70.671   18.725   37.815   17.154 32.85574 25.39431 
1 1 1  -25   19   16 o   55.264   14.356  221.953  129.945  306.699  209.201  168.715  165.812   61.051   21.598   49.477   18.918 11.57445 28.71182 
1 1 1  -25   19   17 f   53.468   14.242  222.249  134.049  162.470  205.152  266.786  177.079   49.799   20.385   57.138   19.896 -7.338966 28.48497 
1 1 1  -25   19   18 o   40.036   12.589  -3.7935  137.092 -172.5042  209.381  122.803  181.375   34.602   16.588   45.471   18.942 -10.86950 25.17896 
1 1 1  -25   21    1 o   43.460   17.162  106.358  139.923  106.358  139.923   0.0000   0.0000   43.460   17.162  ?   ?       ?      ? 
1 1 1  -25   21    2 o   45.768   13.322   70.178  109.897   21.084  126.434  221.888  222.258   35.789   15.398   55.748   21.745 -19.95896 26.64465 
1 1 1  -25   21    3 o   37.076   12.429 -131.7147   96.820 -168.3383  103.884  110.433  267.120   22.773   11.099   51.379   22.242 -28.60604 24.85742 
1 1 1  -25   21    4 o   86.262   11.360  448.675  102.355  374.728  114.088  753.717  231.720   73.912   12.155   98.612   19.194 -24.70068 22.71901 
1 1 1  -25   21    5 f   46.285   11.814  143.092  101.163  225.769  118.744 -75.7681  193.197   54.940   16.028   37.630   17.360 17.31033 23.62750 
1 1 1  -25   21    6 o  160.629   6.8018  1659.26  126.206  1571.02  148.594  1887.71  239.090  154.796   7.5590  166.462   11.310 -11.66640 13.60361 
1 1 1  -25   21    7 o   53.322   13.693  148.609  105.200   81.483  119.183  385.380  223.838   39.528   15.766   67.116   22.393 -27.58770 27.38667 
1 1 1  -25   21    8 o  133.608   7.1230  1203.61  118.703  1199.81  154.257  1209.11  185.872  134.105   9.0578  133.111   10.996 0.9938507 14.24594 
1 1 1  -25   21    9 o   59.915   13.205  265.358  105.462  214.291  127.261  377.317  188.432   52.788   16.836   67.041   20.349 -14.25254 26.41089 
1 1 1  -25   21   10 f   34.991   11.379 -49.1746  114.320 -12.4018  142.474 -115.6495  191.558   34.800   15.597   35.182   16.574 -0.3812866 22.75897 
1 1 1  -25   21   11 o   61.733   15.260  328.622  149.737  445.233  224.194  234.713  201.190   69.644   22.360   53.822   20.773 15.82283 30.52018 
1 1 1  -25   21   12 o   35.659   11.979 -128.2321  146.841 -162.8742  221.743 -101.1761  195.965   35.755   17.123   35.563   16.757 0.1922379 23.95789 
1 1 1  -24    0    1 o   34.978   11.508  113.599   80.283  113.599   80.283  113.599   80.283   34.978   16.274   34.978   16.274 -0.000000 0.000000 
1 1 1  -24    0    2 o  538.494   4.5835 18424.23  443.131 18424.23  443.131 18424.23  443.131  538.494   6.4821  538.494   6.4821 -0.000000 0.000000 
1 1 1  -24    0    3 o  217.948   3.3191  3020.67  129.782  3020.67  129.782  3020.67  129.782  217.948   4.6940  217.948   4.6940 -0.000000 0.000000 
1 1 1  -24    0    4 o  169.831   3.7076  1836.88  112.841  1836.88  112.841  1836.88  112.841  169.831   5.2434  169.831   5.2434 -0.000000 0.000000 
1 1 1  -24    0    5 o  624.529   5.2019 24782.65  583.271 24782.65  583.271 24782.65  583.271  624.529   7.3566  624.529   7.3566 -0.000000 0.000000 
1 1 1  -24    0    6 o  354.493   3.6574  7985.38  232.735  7985.38  232.735  7985.38  232.735  354.493   5.1723  354.493   5.1723 -0.000000 0.000000 
1 1 1  -24    0    7 o  1426.23   11.132 129354.60  2850.61 129354.60  2850.61 129354.60  2850.61  1426.23   15.743  1426.23   15.743 -0.000000 0.000000 
1 1 1  -24    0    8 o  870.065   6.9841 48106.61  1091.00 48106.61  1091.00 48106.61  1091.00  870.065   9.8770  870.065   9.8770 -0.000000 0.000000 
1 1 1  -24    0    9 o  117.975   7.1065  903.227  148.057  903.227  148.057  903.227  148.057  117.975   10.050  117.975   10.050 -0.000000 0.000000 
1 1 1  -24    0   10 o  812.733   6.6326 41975.15  967.814 41975.15  967.814 41975.15  967.814  812.733   9.3799  812.733   9.3799 -0.000000 0.000000 
1 1 1  -24    0   11 o  716.885   6.0341 32656.87  776.630 32656.87  776.630 32656.87  776.630  716.885   8.5335  716.885   8.5335 -0.000000 0.000000 
1 1 1  -24    0   12 o   86.876   12.908  538.638  177.343  538.638  177.343  538.638  177.343   86.876   18.255   86.876   18.255 -0.000000 0.000000 
1 1 1  -24    0   13 o  443.609   4.6454 12506.22  369.918 12506.22  369.918 12506.22  369.918  443.609   6.5696  443.609   6.5696 -0.000000 0.000000 
1 1 1  -24    0   14 o  340.128   4.5087  7355.00  275.197  7355.00  275.197  7355.00  275.197  340.128   6.3763  340.128   6.3763 -0.000000 0.000000 
1 1 1  -24    0   15 o  174.145   6.3139  1941.71  196.285  1941.71  196.285  1941.71  196.285  174.145   8.9292  174.145   8.9292 -0.000000 0.000000 
1 1 1  -24    0   16 o   54.948   17.346  277.959  181.842  277.959  181.842  277.959  181.842   54.948   24.531   54.948   24.531 -0.000000 0.000000 
1 1 1  -24    0   17 o  243.178   4.9995  3767.01  217.926  3767.01  217.926  3767.01  217.926  243.178   7.0703  243.178   7.0703 -0.000000 0.000000 
1 1 1  -24    0   18 o   21.633   10.844 -229.9653  176.184 -229.9653  176.184 -229.9653  176.184   21.633   15.336   21.633   15.336 -0.000000 0.000000 
1 1 1  -24    0   19 o   33.857   14.931   45.806  184.835   45.806  184.835   45.806  184.835   33.857   21.116   33.857   21.116 -0.000000 0.000000 
1 1 1  -24    0   20 o   35.988   15.413   79.408  183.996   79.408  183.996   79.408  183.996   35.988   21.798   35.988   21.798 -0.000000 0.000000 
1 1 1  -24    0   21 o  181.943   6.6655  2124.39  216.467  2124.39  216.467  2124.39  216.467  181.943   9.4264  181.943   9.4264 -0.000000 0.000000 
1 1 1  -24    0   22 o  244.816   5.3922  3824.23  236.561  3824.23  236.561  3824.23  236.561  244.816   7.6257  244.816   7.6257 -0.000000 0.000000 
1 1 1  -24    0   23 o  193.973   4.3172  2399.65  150.059  2399.65  150.059  2399.65  150.059  193.973   6.1055  193.973   6.1055 -0.000000 0.000000 
1 1 1  -24    0   24 o   26.651   11.813   25.591  117.189   25.591  117.189   25.591  117.189   26.651   16.706   26.651   16.706 -0.000000 0.000000 
1 1 1  -24    0   25 o   70.841   11.176  365.554  124.213  365.554  124.213  365.554  124.213   70.841   15.806   70.841   15.806 -0.000000 0.000000 
1 1 1  -24    0   27 o  114.851   7.0046  861.439  142.008  861.439  142.008  861.439  142.008  114.851   9.9059  114.851   9.9059 -0.000000 0.000000 
1 1 1  -24    0   28 o   41.805   15.334  168.387  149.006  168.387  149.006  168.387  149.006   41.805   21.685   41.805   21.685 -0.000000 0.000000 
1 1 1  -24    0   29 o   45.800   15.618  204.326  149.112  204.326  149.112  204.326  149.112   45.800   22.087   45.800   22.087 -0.000000 0.000000 
1 1 1  -24    0   30 o  113.051   8.0913  849.349  160.423  849.349  160.423  849.349  160.423  113.051   11.443  113.051   11.443 -0.000000 0.000000 
1 1 1  -24    0   31 o   21.964   10.587 -66.1458  128.946 -66.1458  128.946 -66.1458  128.946   21.964   14.973   21.964   14.973 -0.000000 0.000000 
1 1 1  -24    0   33 o   49.259   16.355  257.241  162.430  257.241  162.430  257.241  162.430   49.259   23.130   49.259   23.130 -0.000000 0.000000 
1 1 1  -24    0   34 o   49.066   16.811  271.261  172.981  271.261  172.981  271.261  172.981   49.066   23.774   49.066   23.774 -0.000000 0.000000 
1 1 1  -24    2    1 o  463.251   4.0889 13626.69  240.487 13457.54  335.660 13805.10  344.721  460.299   5.7423  466.203   5.8226 -5.904022 8.177769 
1 1 1  -24    2    2 o  1278.02   10.003 103910.10  1623.54 104169.10  2301.38 103653.50  2290.71  1279.60   14.162  1276.43   14.132 3.165527 20.00696 
1 1 1  -24    2    3 o  731.325   5.9386 33968.90  551.345 33459.86  767.841 34510.70  792.168  725.675   8.3320  736.974   8.4642 -11.29926 11.87712 
1 1 1  -24    2    4 o  759.008   6.1428 36606.32  592.097 36690.32  837.473 36522.38  837.231  759.879   8.6786  758.137   8.6960 1.742126 12.28569 
1 1 1  -24    2    5 o  513.522   4.4842 16728.52  292.159 16264.24  402.756 17244.16  424.448  506.014   6.2676  521.030   6.4148 -15.01617 8.968417 
1 1 1  -24    2    6 o  710.862   5.8159 32105.45  525.007 32017.25  739.204 32195.23  745.785  709.878   8.1998  711.846   8.2499 -1.967651 11.63176 
1 1 1  -24    2    7 o  322.914   5.0123  6622.45  205.541  6622.45  205.541   0.0000   0.0000  322.914   5.0123  ?   ?       ?      ? 
1 1 1  -24    2    8 o  269.240   5.2658  4603.94  180.044  4603.94  180.044   0.0000   0.0000  269.240   5.2658  ?   ?       ?      ? 
1 1 1  -24    2    9 o  203.825   6.4582  2638.92  167.165   0.0000   0.0000  2638.92  167.165  ?   ?   203.825   6.4582      ?      ? 
1 1 1  -24    2   10 o  513.152   4.7476 16659.75  308.483 15898.44  417.367 17576.42  457.978  500.287   6.5693  526.017   6.8559 -25.72992 9.495256 
1 1 1  -24    2   12 o  390.396   4.4923  9669.02  222.178  9515.08  302.787  9848.59  327.026  387.038   6.1604  393.754   6.5400 -6.715698 8.984539 
1 1 1  -24    2   13 f  426.962   4.4946 11556.27  243.231 11224.47  331.983 11940.79  357.382  420.363   6.2189  433.561   6.4909 -13.19821 8.989247 
1 1 1  -24    2   14 o  470.177   4.6643 14035.97  278.191 13888.19  383.572 14199.98  404.071  467.572   6.4598  472.782   6.7301 -5.210052 9.328613 
1 1 1  -24    2   15 o  518.417   4.8941 17050.04  321.944 17948.68  465.395 16225.37  445.830  531.497   6.8951  505.336   6.9472 26.16168 9.788100 
1 1 1  -24    2   16 o  295.304   4.5049  5535.73  168.820  5390.22  233.422  5695.31  244.455  291.241   6.3112  299.366   6.4301 -8.124176 9.009855 
1 1 1  -24    2   17 o  319.331   4.5187  6481.67  183.210  6413.05  256.159  6553.53  262.142  317.604   6.3511  321.059   6.4295 -3.454803 9.037360 
1 1 1  -24    2   18 o  216.499   5.3811  2979.23  147.159  3024.58  220.511  2942.80  197.598  217.957   7.9668  215.041   7.2357 2.915863 10.76222 
1 1 1  -24    2   19 o   41.842   12.800 -72.2279  131.100   79.062  194.335 -198.5849  177.601   49.992   20.066   33.692   15.899 16.30003 25.60087 
1 1 1  -24    2   20 o  187.675   5.2342  2202.25  113.427  2147.19  134.015  2341.30  212.973  183.726   5.7439  191.623   8.7518 -7.897598 10.46838 
1 1 1  -24    2   21 o  150.998   5.8472  1445.50  105.016  1430.16  127.502  1477.85  185.180  149.870   6.6992  152.127   9.5854 -2.257141 11.69441 
1 1 1  -24    2   22 o  221.254   5.1454  3098.53  129.919  3071.51  152.885  3168.74  246.463  219.708   5.4795  222.801   8.7108 -3.093018 10.29089 
1 1 1  -24    2   23 o   90.735   10.662  552.996  107.442  569.369  127.915  513.774  197.986   94.262   10.686   87.209   18.453 7.052704 21.32354 
1 1 1  -24    2   24 o  123.219   8.1711  994.990  114.310  1019.79  135.341  933.271  213.511  126.307   8.4377  120.131   13.995 6.176491 16.34225 
1 1 1  -24    2   25 f  129.738   5.7755  1070.98   94.611  1126.02  142.978  1028.10  126.190  132.651   8.4875  126.825   7.8351 5.826218 11.55102 
1 1 1  -24    2   26 o  324.969   4.0687  6736.66  167.757  6408.41  237.343  7064.37  237.145  317.021   5.8954  332.917   5.6092 -15.89584 8.137468 
1 1 1  -24    2   27 o  112.892   7.1476  814.131  102.067  902.616  152.527  742.377  137.352  118.398   10.144  107.386   10.072 11.01192 14.29515 
1 1 1  -24    2   28 o  170.920   5.5161  1874.78  119.027  1858.80  177.790  1887.77  160.234  170.166   8.2273  171.675   7.3497 -1.509033 11.03211 
1 1 1  -24    2   29 o  133.886   6.7931  1162.41  114.114  1140.55  174.453  1178.76  150.868  132.581   10.361  135.191   8.7877 -2.609650 13.58611 
1 1 1  -24    2   30 o   95.349   9.8072  606.786  113.989  774.190  170.391  471.176  153.359  108.187   12.402   82.511   15.196 25.67653 19.61443 
1 1 1  -24    2   31 o   27.801   9.3619 -175.5141   94.680 -303.9729  140.936 -69.8550  127.818   24.457   12.114   31.146   14.277 -6.688967 18.72387 
1 1 1  -24    2   32 o  ?   ?  -794.5704  100.798 -853.5046  161.415 -756.8984  129.053  ?   ?   ?   ?       ?      ? 
1 1 1  -24    2   33 o   36.580   11.512  -7.4712  107.318   30.727  160.673 -38.2390  144.202   39.304   17.131   33.856   15.383 5.447926 23.02431 
1 1 1  -24    2   34 o   42.028   13.369   37.647  146.039   43.203  184.060   28.205  239.934   40.645   18.001   43.412   19.770 -2.766430 26.73789 
1 1 1  -24    4    1 o  791.021   9.0178 39758.67  905.870 39758.67  905.870   0.0000   0.0000  791.021   9.0178  ?   ?       ?      ? 
1 1 1  -24    4    2 o  624.284   5.2081 24752.58  412.799 24512.88  576.506 25004.78  591.347  621.186   7.3081  627.383   7.4222 -6.197021 10.41621 
1 1 1  -24    4    3 o  1253.62   9.8251 99957.00  1564.16 99809.03  2207.81 100106.10  2216.32  1252.69   13.878  1254.55   13.911 -1.857910 19.65029 
1 1 1  -24    4    4 o  106.554   5.8521  720.726   79.077  710.226  108.640  732.557  115.322  105.731   8.0912  107.377   8.4571 -1.646545 11.70427 
1 1 1  -24    4    5 o  795.048   9.1764 40165.34  926.497   0.0000   0.0000 40165.34  926.497  ?   ?   795.048   9.1764      ?      ? 
1 1 1  -24    4    6 o  259.897   3.9111  4262.77  127.953  4095.87  168.694  4488.88  196.343  253.949   5.2309  265.846   5.8158 -11.89679 7.822103 
1 1 1  -24    4    7 o  427.461   6.1482 11606.26  333.752   0.0000   0.0000 11606.26  333.752  ?   ?   427.461   6.1482      ?      ? 
1 1 1  -24    4    9 o  339.581   4.2791  7330.82  184.317  7728.31  260.369  6931.53  260.958  348.819   5.8778  330.342   6.2206 18.47665 8.558232 
1 1 1  -24    4   10 o  467.609   4.6962 13898.87  278.667 14451.53  392.868 13339.26  395.332  476.975   6.4860  458.243   6.7934 18.73175 9.392448 
1 1 1  -24    4   11 o  299.970   4.3288  5712.67  164.853  5596.01  229.789  5836.38  236.637  296.816   6.0963  303.123   6.1473 -6.306885 8.657593 
1 1 1  -24    4   12 o   67.539   11.275  282.175  110.099   60.416  152.858  521.246  158.712   44.563   17.828   90.516   13.807 -45.95234 22.54951 
1 1 1  -24    4   13 o  241.742   4.5744  3708.98  140.351  3812.60  202.697  3613.54  194.527  244.982   6.5153  238.502   6.4226 6.479370 9.148708 
1 1 1  -24    4   14 o   82.123   11.023  453.987  110.448  284.232  157.862  616.763  154.583   65.793   18.253   98.453   12.364 -32.66030 22.04605 
1 1 1  -24    4   15 o  388.199   4.4689  9584.42  219.979  9744.13  304.388  9409.80  318.271  391.596   6.1208  384.801   6.5130 6.795319 8.937789 
1 1 1  -24    4   16 o  360.780   4.3081  8267.09  197.296  8583.26  283.516  7970.22  274.729  367.465   6.0755  354.097   6.1095 13.36792 8.616149 
1 1 1  -24    4   17 f  170.302   5.8033  1844.09  125.508  1844.09  125.508   0.0000   0.0000  170.302   5.8033  ?   ?       ?      ? 
1 1 1  -24    4   18 o  171.491   4.8892  1761.58  101.715  1528.39  123.647  2249.71  178.893  155.002   6.2816  187.980   7.4938 -32.97833 9.778329 
1 1 1  -24    4   19 o  143.302   5.7901  1342.34   99.901  1426.37  125.289  1195.65  165.539  149.708   6.5901  136.896   9.5221 12.81187 11.58012 
1 1 1  -24    4   20 o  261.337   4.5441  4362.12  142.528  4393.24  175.330  4301.47  244.733  262.823   5.2531  259.852   7.4163 2.970947 9.088285 
1 1 1  -24    4   21 o  103.191   8.7066  673.896  105.840  659.055  127.115  707.441  191.104  101.549   9.8569  104.832   14.355 -3.282318 17.41328 
1 1 1  -24    4   22 o   56.078   11.903  217.490   99.402  297.836  119.795   39.888  178.107   66.697   14.553   45.460   18.840 21.23769 23.80592 
1 1 1  -24    4   23 o  196.208   5.4933  2512.13  127.491  2617.25  156.202  2302.34  220.659  202.696   6.0682  189.719   9.1587 12.97672 10.98657 
1 1 1  -24    4   24 o  106.315   8.5602  661.322  110.109  486.359  134.352  1019.26  192.166   86.862   12.180  125.769   12.032 -38.90680 17.12033 
1 1 1  -24    4   25 o   48.630   11.863  114.364  109.020  252.485  133.103 -167.1570  190.027   61.091   16.685   36.169   16.867 24.92207 23.72541 
1 1 1  -24    4   26 o   59.218   13.392  165.561  118.663   43.036  145.491  409.007  205.081   41.622   17.117   76.814   20.600 -35.19235 26.78318 
1 1 1  -24    4   27 o   81.175   9.8142  437.212   98.086  430.706  147.589  442.358  131.269   79.829   15.112   82.521   12.526 -2.691277 19.62840 
1 1 1  -24    4   28 f   62.138   12.830  248.567  108.935  369.662  171.372  166.458  141.114   72.716   18.510   51.559   17.772 21.15697 25.66080 
1 1 1  -24    4   29 o   58.740   13.360  226.576  111.665  291.879  177.938  184.150  143.423   64.441   19.816   53.039   17.924 11.40246 26.71994 
1 1 1  -24    4   30 o   69.808   11.208  374.894  104.869  148.624  164.651  529.333  136.028   50.276   18.940   89.340   11.990 -39.06406 22.41611 
1 1 1  -24    4   31 o  ?   ?  -1063.6860  106.655 -1058.7841  166.120 -1067.1230  139.114  ?   ?   ?   ?       ?      ? 
1 1 1  -24    4   32 o   36.203   11.488 -24.3668  108.371 -10.1510  166.612 -34.7917  142.677   38.144   16.997   34.261   15.460 3.882805 22.97652 
1 1 1  -24    4   33 o   45.151   14.245   47.596  126.040  188.689  310.410   19.742  137.921   54.128   23.696   36.175   15.817 17.95223 28.48952 
1 1 1  -24    6    1 o  980.329   7.8189 61090.50  973.396 61265.89  1374.75 60914.16  1378.44  981.743   11.027  978.915   11.088 2.828125 15.63777 
1 1 1  -24    6    3 o  209.594   5.5959  2790.14  148.946  2790.14  148.946   0.0000   0.0000  209.594   5.5959  ?   ?       ?      ? 
1 1 1  -24    6    4 o  355.723   4.0343  8013.77  181.286  7821.22  242.887  8255.94  272.397  350.918   5.4503  360.529   5.9496 -9.611053 8.068641 
1 1 1  -24    6    8 o  783.269   6.4960 38981.06  645.851 38797.19  898.821 39177.34  928.653  781.369   9.0582  785.170   9.3135 -3.801208 12.99196 
1 1 1  -24    6    9 o   88.735   9.0961  515.208   97.526  642.774  138.279  388.950  137.568  100.555   10.829   76.916   14.618 23.63859 18.19217 
1 1 1  -24    6   10 o  270.679   4.3805  4642.40  150.158  4507.19  203.699  4803.30  222.218  266.377   6.0216  274.982   6.3635 -8.604614 8.760966 
1 1 1  -24    6   11 o  229.755   4.4748  3356.32  130.437  3446.35  182.158  3261.57  186.864  232.923   6.1583  226.587   6.4940 6.335754 8.949652 
1 1 1  -24    6   12 o  461.842   4.8523 13666.38  253.932 13808.19  298.876 13298.33  481.490  466.252   5.0477  457.431   8.2886 8.820709 9.704681 
1 1 1  -24    6   13 o  222.560   4.3446  3164.61  114.745  3196.61  139.716  3098.29  201.116  224.325   4.9045  220.795   7.1727 3.530746 8.689116 
1 1 1  -24    6   14 o  597.719   5.8505 22688.38  389.412 22648.96  452.429 22801.04  764.916  596.970   5.9679  598.468   10.065 -1.498230 11.70090 
1 1 1  -24    6   15 o  252.991   4.1158  4016.07  124.061  3920.12  150.375  4220.57  219.532  248.371   4.7676  257.612   6.7105 -9.240677 8.231670 
1 1 1  -24    6   16 o  241.923   4.2762  3791.46  122.533  3923.52  149.961  3526.16  212.545  248.454   4.7529  235.391   7.1102 13.06300 8.552466 
1 1 1  -24    6   17 o  371.521   4.4329  8965.69  191.608  9261.51  230.996  8313.23  343.059  381.702   4.7654  361.339   7.4761 20.36285 8.865752 
1 1 1  -24    6   18 o  283.669   4.2048  5165.71  141.886  5255.17  173.489  4985.00  246.566  287.510   4.7516  279.829   6.9385 7.681763 8.409517 
1 1 1  -24    6   19 o  144.184   5.8231  1345.71  101.115  1392.82  125.803  1259.72  169.953  147.904   6.6978  140.465   9.5276 7.439774 11.64628 
1 1 1  -24    6   20 o   58.695   11.580  237.699   99.453  347.226  126.865   63.080  160.188   72.220   14.338   45.169   18.187 27.05107 23.15915 
1 1 1  -24    6   21 o   38.321   11.406 -49.7597   96.883 -139.7607  120.890  111.820  161.980   27.580   13.046   49.062   18.713 -21.48245 22.81160 
1 1 1  -24    6   22 o   94.998   8.8877  570.817  106.191  508.179  138.957  658.754  164.643   88.869   12.313  101.126   12.820 -12.25697 17.77540 
1 1 1  -24    6   23 o  182.087   5.6040  2146.07  124.631  2225.54  157.803  2014.32  203.186  186.796   6.6523  177.377   9.0203 9.418549 11.20793 
1 1 1  -24    6   24 o  117.106   7.8826  902.790  109.773  943.779  135.368  824.068  187.600  121.385   8.7816  112.828   13.093 8.557404 15.76524 
1 1 1  -24    6   25 o  157.847   10.190  1639.13  181.407  2761.94  275.369  778.217  241.125  207.104   10.470  108.590   17.485 98.51418 20.38044 
1 1 1  -24    6   26 o  132.633   8.4311  1064.62  134.177  927.493  161.124  1374.87  242.357  119.901   10.582  145.364   13.129 -25.46255 16.86226 
1 1 1  -24    6   27 o   55.477   17.671   21.792  179.744 -186.9345  545.394   47.225  190.380   64.575   29.561   46.379   19.371 18.19532 35.34202 
1 1 1  -24    6   28 o   58.507   14.445  202.772  134.048  118.245  175.913  319.816  207.003   49.512   19.336   67.503   21.466 -17.99070 28.89079 
1 1 1  -24    6   29 o   42.268   11.623   70.129   98.780 -87.9527  165.234  158.046  123.224   35.506   16.260   49.031   16.614 -13.52464 23.24656 
1 1 1  -24    6   30 o   53.273   12.674  197.750   99.185  194.457  165.390  199.599  123.947   53.540   19.175   53.005   16.579 0.5355263 25.34849 
1 1 1  -24    6   31 o   25.641   9.3469 -496.1301  119.922 -710.9541  278.639 -447.2917  132.856   31.113   15.651   20.169   10.223 10.94408 18.69389 
1 1 1  -24    6   32 o   37.870   16.250   38.603  140.152   0.0000   0.0000   38.603  140.152  ?   ?    37.870   16.250      ?      ? 
1 1 1  -24    8    1 o  577.846   9.7937 21223.07  718.680   0.0000   0.0000 21223.07  718.680  ?   ?   577.846   9.7937      ?      ? 
1 1 1  -24    8    2 o  381.399   6.0512  9240.00  293.086   0.0000   0.0000  9240.00  293.086  ?   ?   381.399   6.0512      ?      ? 
1 1 1  -24    8    3 o  300.962   3.9872  5682.29  150.538  5329.02  195.738  6193.77  235.526  289.658   5.3212  312.266   5.9393 -22.60724 7.974411 
1 1 1  -24    8    4 o  646.718   7.6804 26573.39  630.778 26573.39  630.778   0.0000   0.0000  646.718   7.6804  ?   ?       ?      ? 
1 1 1  -24    8    5 o  396.138   4.2323  9981.16  212.112 10129.87  288.945  9807.37  312.364  399.349   5.6975  392.927   6.2600 6.422394 8.464555 
1 1 1  -24    8    6 o  356.085   4.2360  7966.64  167.329  7876.19  193.541  8234.34  332.979  352.160   4.3277  360.010   7.2832 -7.849884 8.471981 
1 1 1  -24    8    7 o  480.013   4.9871 14723.72  269.501 14823.76  315.688 14454.89  517.499  483.102   5.1457  476.925   8.5444 6.177185 9.974202 
1 1 1  -24    8    8 o  680.676   6.4798 29619.70  492.268 29808.02  573.782 29094.55  958.178  684.972   6.5962  676.379   11.155 8.593567 12.95953 
1 1 1  -24    8    9 o  508.132   5.2160 16211.48  293.376 16011.95  338.877 16808.44  586.155  502.063   5.3150  514.201   8.9764 -12.13797 10.43193 
1 1 1  -24    8   10 o  905.602   8.3711 52244.88  836.918 52283.67  968.586 52130.59  1662.57  906.838   8.4107  904.367   14.476 2.470154 16.74225 
1 1 1  -24    8   11 o   80.151   8.0876  414.378   79.549  430.857  101.445  388.065  128.187   82.281   9.7085   78.020   12.938 4.261154 16.17530 
1 1 1  -24    8   12 o  319.344   4.1470  6529.04  152.406  6594.17  181.167  6371.35  281.894  322.162   4.4282  316.526   7.0129 5.635193 8.293962 
1 1 1  -24    8   13 o  232.539   4.4405  3379.91  129.761  3048.92  169.223  3852.26  202.157  218.969   6.0855  246.109   6.4682 -27.13947 8.880969 
1 1 1  -24    8   14 o   32.627   10.146 -41.7153   79.639 -74.4185  101.258   11.323  128.952   27.595   12.671   37.659   15.849 -10.06417 20.29116 
1 1 1  -24    8   15 f   50.235   11.298  162.544   83.054  203.568  104.119   90.767  137.720   55.343   14.603   45.127   17.245 10.21590 22.59683 
1 1 1  -24    8   16 o   50.050   10.010  106.412   80.426 -38.2312  103.669  325.070  127.462   30.255   13.449   69.846   14.829 -39.59092 20.01936 
1 1 1  -24    8   17 o  129.114   5.8033  1058.12   93.091  1040.88  119.382  1084.86  148.694  127.829   7.3541  130.399   8.9793 -2.570251 11.60651 
1 1 1  -24    8   18 o  207.936   4.4335  2712.64  112.369  2616.08  139.304  2892.50  190.120  202.784   5.4095  213.088   7.0257 -10.30370 8.866979 
1 1 1  -24    8   19 o  131.784   5.9426  1118.94   97.022  1160.07  125.533  1057.92  152.900  134.902   7.3276  128.667   9.3576 6.234879 11.88522 
1 1 1  -24    8   20 o  190.396   4.9184  2290.35  115.639  2225.69  146.323  2397.94  188.730  186.930   6.1639  193.863   7.6660 -6.933334 9.836733 
1 1 1  -24    8   21 o   91.322   8.3489  528.520   96.078  469.822  126.800  607.655  147.227   85.469   11.682   97.174   11.931 -11.70541 16.69779 
1 1 1  -24    8   22 o   67.564   12.042  289.761  103.221  204.024  131.340  428.261  166.932   55.655   17.010   79.474   17.051 -23.81865 24.08485 
1 1 1  -24    8   23 o   56.058   14.398  141.489  116.757   97.601  133.435  284.875  241.186   44.872   17.016   67.244   23.231 -22.37193 28.79609 
1 1 1  -24    8   24 o   29.103   10.209 -350.7645  119.514 -360.3851  142.427 -327.8687  219.720   23.743   11.830   34.464   16.642 -10.72096 20.41794 
1 1 1  -24    8   25 o  169.158   6.1248  1828.08  129.190  1790.56  166.782  1884.36  204.270  167.164   7.8565  171.152   9.3982 -3.988327 12.24954 
1 1 1  -24    8   26 o  161.898   6.6226  1692.34  132.645  1698.60  169.715  1682.51  212.635  162.572   8.2205  161.223   10.386 1.348526 13.24522 
1 1 1  -24    8   27 o   54.563   13.866  179.801  119.700  160.112  152.165  211.763  193.875   51.239   18.388   57.886   20.758 -6.646652 27.73133 
1 1 1  -24    8   28 o   64.145   14.079  292.589  125.297  269.522  163.667  325.250  194.752   61.466   19.022   66.825   20.762 -5.359055 28.15843 
1 1 1  -24    8   29 o   33.838   11.576 -298.5092  151.523 -189.1329  221.802 -394.2226  207.487   37.359   17.671   30.316   14.957 7.043850 23.15171 
1 1 1  -24    8   30 f   36.264   12.296 -132.4775  131.249 -306.1985  304.859 -92.9519  145.416   40.623   19.613   31.905   14.837 8.717707 24.59254 
1 1 1  -24    8   31 o   38.534   16.594   38.636  147.124   0.0000   0.0000   38.636  147.124  ?   ?    38.534   16.594      ?      ? 
1 1 1  -24    8   32 o   47.401   21.254   97.376  264.870   0.0000   0.0000   97.376  264.870  ?   ?    47.401   21.254      ?      ? 
1 1 1  -24   10    1 f  105.918   5.6551  711.351   67.810  708.857   79.492  718.016  129.943  105.615   5.9268  106.222   9.6330 -0.6073608 11.31025 
1 1 1  -24   10    2 o  242.469   3.8036  3767.18  105.191  3808.44  124.336  3663.27  197.302  244.861   3.9985  240.076   6.4715 4.784348 7.607126 
1 1 1  -24   10    3 o  440.918   5.7222 12358.29  320.334 12588.89  459.025 12139.37  447.247  444.923   8.1241  436.912   8.0608 8.010529 11.44448 
1 1 1  -24   10    4 o  480.113   4.9305 14896.05  267.122 15194.49  314.435 14122.15  506.349  489.029   5.0631  471.196   8.4620 17.83313 9.861030 
1 1 1  -24   10    5 o  509.470   5.1409 16647.94  295.118 16820.48  346.209 16189.32  564.443  514.503   5.2987  504.436   8.8112 10.06738 10.28175 
1 1 1  -24   10    6 o  224.554   4.0350  3121.15  103.762  3017.42  121.677  3397.68  198.665  217.934   4.3965  231.173   6.7672 -13.23868 8.069904 
1 1 1  -24   10    7 o  292.165   3.9572  5310.88  131.918  5171.02  154.562  5686.07  253.150  285.292   4.2662  299.039   6.6661 -13.74670 7.914359 
1 1 1  -24   10    8 o  125.783   5.6453  987.525   84.424  953.669  101.903  1061.61  150.749  122.459   6.5527  129.108   9.1944 -6.648613 11.29050 
1 1 1  -24   10    9 o  203.465   4.1750  2565.76   99.903  2462.73  119.295  2807.68  182.800  196.849   4.7721  210.081   6.8519 -13.23164 8.349952 
1 1 1  -24   10   10 o  386.918   4.7200  9515.21  231.921  9515.21  231.921   0.0000   0.0000  386.918   4.7200  ?   ?       ?      ? 
1 1 1  -24   10   11 o  342.967   4.2987  7208.85  167.180  6898.34  194.429  8089.60  327.450  329.440   4.6474  356.494   7.2330 -27.05386 8.597315 
1 1 1  -24   10   12 o  260.075   4.1603  4296.75  127.229  4287.59  153.230  4317.10  228.295  259.715   4.6459  260.436   6.9027 -0.7214355 8.320553 
1 1 1  -24   10   13 o  266.736   4.0840  4514.58  127.457  4497.09  152.825  4554.53  231.004  265.982   4.5244  267.490   6.8004 -1.507690 8.167992 
1 1 1  -24   10   14 o  375.089   4.4018  8905.20  189.936  8840.16  224.755  9067.71  355.259  372.883   4.7464  377.296   7.4146 -4.413544 8.803605 
1 1 1  -24   10   15 o  133.668   5.7597  1150.36   92.900  1176.15  115.421  1102.92  156.545  135.907   6.6875  131.428   9.3794 4.478928 11.51934 
1 1 1  -24   10   16 o   76.914   9.0834  353.398   83.308  254.253  102.700  544.154  142.454   61.723   13.480   92.104   12.179 -30.38119 18.16686 
1 1 1  -24   10   17 f   51.425   11.746  163.716   93.028  236.983  123.096   66.145  142.054   59.500   15.961   43.350   17.237 16.15068 23.49203 
1 1 1  -24   10   18 o  127.659   6.3497  1032.54  100.833  997.628  129.146  1087.06  161.378  124.997   8.1358  130.322   9.7510 -5.324272 12.69939 
1 1 1  -24   10   19 o   99.171   8.1701  618.971  101.559  552.465  131.339  717.874  160.165   92.730   11.153  105.613   11.942 -12.88348 16.34017 
1 1 1  -24   10   20 o   39.878   11.712   22.277  100.367   78.903  130.882 -58.5606  156.378   43.012   16.712   36.745   16.413 6.267082 23.42400 
1 1 1  -24   10   21 o   35.077   16.974 -661.7092  115.405 -761.3196  133.084 -359.7283  231.720  ?   ?    35.077   16.974      ?      ? 
1 1 1  -24   10   22 o  111.932   10.890  808.616  140.534  793.016  166.335  847.530  262.708  110.756   11.826  113.108   18.290 -2.351433 21.77986 
1 1 1  -24   10   23 o  108.994   9.0481  752.296  121.996  691.062  153.474  857.397  201.067  103.326   11.696  114.662   13.808 -11.33626 18.09622 
1 1 1  -24   10   24 o  110.597   8.8889  793.063  124.294  757.180  166.724  837.959  186.487  107.884   12.169  113.311   12.960 -5.426826 17.77780 
1 1 1  -24   10   25 o   74.226   13.327  394.211  126.102  438.392  166.723  335.146  192.770   79.462   17.034   68.991   20.502 10.47123 26.65494 
1 1 1  -24   10   26 o   33.751   11.178 -146.0684  120.146 -100.1524  157.717 -209.5582  185.459   34.138   15.726   33.364   15.890 0.7745781 22.35631 
1 1 1  -24   10   27 o   43.889   14.399 -71.6845  163.023 -405.7711  394.680  -2.9607  179.007   46.697   22.487   41.082   17.989 5.614468 28.79710 
1 1 1  -24   10   28 o  192.013   10.298  867.017  188.908 -1194.0430  286.750  2447.41  251.097  ?   ?   192.013   10.298      ?      ? 
1 1 1  -24   10   29 o   39.522   13.061 -114.1725  161.297 -117.0202  244.207 -111.9689  214.825   40.704   19.028   38.340   17.898 2.364365 26.12277 
1 1 1  -24   10   30 o   34.670   11.783 -233.0328  155.022 -76.7747  215.826 -399.5677  222.810   38.749   18.038   30.590   15.167 8.158503 23.56699 
1 1 1  -24   12    1 o  112.141   6.0632  849.677   73.908  901.847   86.350  706.758  142.921  119.080   5.7101  105.202   10.698 13.87820 12.12635 
1 1 1  -24   12    2 o  237.891   3.9267  3562.55  105.829  3519.36  123.857  3679.39  203.701  235.327   4.1445  240.455   6.6709 -5.127823 7.853472 
1 1 1  -24   12    3 o  549.216   5.4884 19250.64  335.104 19294.16  389.401 19126.41  657.912  550.813   5.5669  547.618   9.4605 3.194946 10.97683 
1 1 1  -24   12    4 o  129.614   5.3363  1081.71   78.745  1097.22   93.063  1042.62  147.751  131.352   5.5791  127.876   9.0983 3.475212 10.67268 
1 1 1  -24   12    5 o   98.236   6.6857  616.897   75.801  618.818   90.145  612.260  140.055   98.591   7.1999   97.880   11.267 0.7102203 13.37136 
1 1 1  -24   12    6 o  484.927   5.0293 15021.37  275.447 15082.28  323.076 14859.26  527.063  487.026   5.2237  482.828   8.5959 4.197449 10.05866 
1 1 1  -24   12    7 o  284.417   3.9889  5192.88  132.645  5269.81  159.716  5021.86  238.138  287.940   4.3679  280.894   6.6759 7.046570 7.977819 
1 1 1  -24   12    8 o   95.404   7.8068  581.570   94.563  568.912  132.081  594.882  135.446   94.340   11.025   96.468   11.056 -2.127373 15.61356 
1 1 1  -24   12    9 o  123.038   5.2357  973.993   78.525  1000.56   98.871  928.612  129.230  125.391   6.2090  120.686   8.4319 4.704872 10.47136 
1 1 1  -24   12   10 o  100.006   6.6115  648.806   80.194  676.084  100.791  601.748  132.384  103.002   7.7055   97.009   10.746 5.992188 13.22309 
1 1 1  -24   12   11 o  279.155   4.1151  5072.30  135.738  5287.30  166.141  4640.68  235.400  288.374   4.5367  269.936   6.8670 18.43814 8.230297 
1 1 1  -24   12   12 f  217.202   4.2445  2968.68  109.559  2907.91  132.591  3099.46  194.517  213.828   4.8828  220.576   6.9442 -6.748184 8.489016 
1 1 1  -24   12   13 o  152.045   5.1502  1461.34   95.137  1432.54  117.876  1515.17  161.135  149.995   6.1883  154.096   8.2342 -4.100525 10.30034 
1 1 1  -24   12   14 o   81.662   8.7998  418.339   89.931  371.134  115.754  490.220  142.837   76.025   11.989   87.300   12.884 -11.27457 17.59961 
1 1 1  -24   12   15 f  181.440   4.7574  2096.63  105.212  2092.03  131.435  2104.83  175.544  181.261   5.7099  181.618   7.6111 -0.3571777 9.514843 
1 1 1  -24   12   16 o  138.225   5.9048  1195.74  102.162  1079.97  131.627  1371.15  162.020  130.025   7.9715  146.424   8.7132 -16.39885 11.80953 
1 1 1  -24   12   17 o  149.576   5.8279  1434.29  108.405  1449.10  140.213  1412.27  170.923  150.649   7.3290  148.504   9.0633 2.145355 11.65577 
1 1 1  -24   12   18 o   97.562   9.0426  589.127  103.318  550.647  122.432  684.323  192.568   92.562   10.416  102.563   14.785 -10.00067 18.08525 
1 1 1  -24   12   19 o  522.586   5.8351 17423.86  330.954 17367.77  379.617 17601.53  675.632  521.954   5.7271  523.218   10.168 -1.263855 11.67027 
1 1 1  -24   12   20 o   59.626   12.397   69.443  122.496 -145.8692  148.111  535.538  217.917   31.317   14.697   87.936   19.970 -56.61905 24.79463 
1 1 1  -24   12   21 f   45.160   12.995   58.360  110.892   38.160  135.178   99.928  193.909   39.942   16.471   50.378   20.105 -10.43621 25.99089 
1 1 1  -24   12   22 o   50.194   13.051  123.850  118.698  230.141  157.906 -14.2370  179.982   58.700   18.757   41.689   18.152 17.01069 26.10201 
1 1 1  -24   12   23 o   82.393   12.543  478.298  133.467  708.270  189.563  252.225  187.949  103.444   14.430   61.342   20.520 42.10195 25.08538 
1 1 1  -24   12   24 o   46.819   14.251   30.234  149.986 -81.4028  266.393   82.047  181.485   46.555   21.055   47.083   19.211 -0.5278664 28.50248 
1 1 1  -24   12   25 o   63.276   16.933  228.002  164.055  399.469  336.767  174.649  187.852   73.010   27.169   53.542   20.217 19.46781 33.86538 
1 1 1  -24   12   26 o   28.104   13.972 -720.2479  157.097 -425.7112  194.175 -1278.3540  267.290   28.104   13.972  ?   ?       ?      ? 
1 1 1  -24   12   27 o   45.302   13.139 -87.7133  153.332 -486.3611  218.875  296.474  214.868   29.201   14.568   61.403   21.871 -32.20240 26.27805 
1 1 1  -24   12   28 o   44.561   13.456   67.975  140.535 -52.4004  212.025  162.298  187.685   39.697   18.267   49.425   19.761 -9.727573 26.91108 
1 1 1  -24   12   29 o   49.095   14.513  118.929  157.275  324.812  241.154 -33.4520  207.467   59.141   22.766   39.049   18.006 20.09132 29.02605 
1 1 1  -24   14    1 o   86.622   8.2765  511.542   78.426  545.135   93.696  432.933  143.329   92.448   7.9808   80.796   14.502 11.65253 16.55292 
1 1 1  -24   14    2 o  284.905   4.0206  5145.90  131.776  5119.01  156.015  5212.85  246.154  283.748   4.3297  286.063   6.7759 -2.315216 8.041103 
1 1 1  -24   14    3 o  303.859   4.0886  5851.71  142.626  5818.81  168.609  5934.44  267.416  302.516   4.3889  305.202   6.8996 -2.686005 8.177198 
1 1 1  -24   14    4 o  109.919   6.5377  785.169   82.972  804.985   99.291  739.307  151.057  112.402   6.9560  107.436   11.072 4.965408 13.07540 
1 1 1  -24   14    5 o  131.710   6.2051  1104.57  103.787  1104.57  103.787   0.0000   0.0000  131.710   6.2051  ?   ?       ?      ? 
1 1 1  -24   14    6 o  160.345   4.9023  1614.77   92.410  1577.45  110.733  1700.39  167.728  157.439   5.5384  163.250   8.0905 -5.810806 9.804580 
1 1 1  -24   14    7 o  325.937   4.2293  6693.57  160.181  6592.15  190.548  6937.87  295.753  321.945   4.6606  329.928   7.0588 -7.982727 8.458643 
1 1 1  -24   14    8 o  164.328   4.7806  1724.96   94.576  1734.01  116.670  1707.62  161.513  165.053   5.5662  163.603   7.7739 1.450165 9.561173 
1 1 1  -24   14    9 o  377.039   4.4592  9104.81  194.430  9175.31  231.800  8937.49  357.103  379.773   4.8063  374.306   7.5126 5.466644 8.918495 
1 1 1  -24   14   10 o   37.260   10.628 -34.7676   85.200 -143.3413  108.785  137.495  137.026   25.374   12.108   49.147   17.470 -23.77288 21.25532 
1 1 1  -24   14   11 o  186.625   4.7233  2223.05  107.570  2229.45  134.762  2211.81  178.581  187.103   5.6716  186.148   7.5544 0.9552917 9.446526 
1 1 1  -24   14   12 o  251.697   4.3150  4032.74  131.138  4022.45  161.976  4052.33  223.417  251.374   5.0740  252.021   6.9808 -0.6467590 8.629996 
1 1 1  -24   14   13 o  213.857   4.5304  2933.90  118.143  2980.50  148.370  2853.15  195.300  216.324   5.4009  211.389   7.2752 4.935440 9.060755 
1 1 1  -24   14   14 o  132.349   5.9967  1018.52   95.185  827.809  113.933  1459.21  173.195  113.787   7.8846  150.911   9.0373 -37.12348 11.99330 
1 1 1  -24   14   15 o   27.292   9.6293 -324.3233  102.146 -347.2078  119.217 -261.1371  198.097   20.690   10.384   33.894   16.219 -13.20413 19.25865 
1 1 1  -24   14   16 o  205.133   6.5959  3048.69  146.965  3558.04  178.014  1958.39  260.444  236.186   5.9350  174.079   11.781 62.10629 13.19172 
1 1 1  -24   14   17 f   62.689   12.421  167.388  110.928   17.840  132.124  524.591  204.197   38.118   16.042   87.259   18.968 -49.14075 24.84269 
1 1 1  -24   14   18 o  131.597   7.0376  1110.81  115.778  1088.46  150.350  1143.38  181.477  130.134   9.0978  133.061   10.740 -2.926239 14.07524 
1 1 1  -24   14   19 o   68.920   12.291  331.266  108.704  391.697  150.416  265.198  157.276   75.586   16.160   62.254   18.523 13.33162 24.58131 
1 1 1  -24   14   20 o   91.202   10.780  594.793  114.087  702.031  146.996  432.341  180.923  103.898   11.141   78.506   18.458 25.39178 21.55964 
1 1 1  -24   14   21 o   54.720   14.139  100.711  134.814  361.753  228.287 -39.0772  167.056   71.008   22.538   38.431   17.079 32.57641 28.27846 
1 1 1  -24   14   22 o   80.738   13.990  412.162  139.238  730.177  248.543  266.702  168.093  100.180   20.233   61.297   19.328 38.88308 27.98096 
1 1 1  -24   14   23 o   32.745   11.145 -245.3062  136.928 -450.0609  234.528 -139.4144  168.658   32.081   15.842   33.409   15.680 -1.328590 22.28972 
1 1 1  -24   14   24 o  204.596   6.7933  2698.40  174.264  2339.38  225.799  3227.22  274.038  188.310   9.4422  220.883   9.7695 -32.57355 13.58665 
1 1 1  -24   14   25 o   54.393   14.914  205.855  144.708  217.557  232.247  198.430  185.012   55.775   22.084   53.010   20.052 2.764606 29.82899 
1 1 1  -24   14   26 o   59.007   13.480  278.394  145.651 -62.2967  241.511  473.135  182.594   41.469   19.229   76.545   18.898 -35.07578 26.96033 
1 1 1  -24   14   27 o   43.571   13.229   61.489  137.523 -65.9334  190.103  201.385  199.190   36.329   16.918   50.812   20.343 -14.48220 26.45843 
1 1 1  -24   16    1 o  176.209   4.7477  1961.29   97.102  1932.86  115.446  2030.06  179.528  174.217   5.2181  178.202   7.9331 -3.984894 9.495390 
1 1 1  -24   16    2 o  157.709   5.3861  1581.64   99.617  1569.69  119.586  1608.71  180.059  156.926   6.0008  158.492   8.9460 -1.565643 10.77222 
1 1 1  -24   16    3 o  232.225   4.3418  3453.32  118.062  3477.84  142.057  3398.56  212.288  233.748   4.7856  230.702   7.2459 3.045242 8.683647 
1 1 1  -24   16    4 o  293.695   4.2102  5594.40  144.206  5750.95  173.941  5250.29  257.888  300.614   4.5563  286.776   7.0813 13.83737 8.420482 
1 1 1  -24   16    5 o  161.646   4.8644  1667.07   94.153  1665.79  115.334  1669.65  163.020  161.692   5.6168  161.601   7.9436 0.9034729E-01 9.728805 
1 1 1  -24   16    6 o  226.898   4.3180  3234.73  112.556  3172.36  132.704  3394.64  212.482  223.249   4.6808  230.546   7.2575 -7.296570 8.636019 
1 1 1  -24   16    7 f  214.058   4.7403  2880.36  118.469  2814.97  141.204  3035.79  217.715  210.222   5.2892  217.895   7.8680 -7.673309 9.480569 
1 1 1  -24   16    8 o  369.410   7.9040  8727.59  370.794   0.0000   0.0000  8727.59  370.794  ?   ?   369.410   7.9040      ?      ? 
1 1 1  -24   16    9 o  110.296   10.649  764.958  127.163  165.934  159.768  1800.38  210.051   53.174   18.868  167.419   9.8797 -114.2450 21.29773 
1 1 1  -24   16   10 o  205.382   8.8420  2704.68  230.617   0.0000   0.0000  2704.68  230.617  ?   ?   205.382   8.8420      ?      ? 
1 1 1  -24   16   11 o   54.781   12.418  175.623   94.236  129.802  115.095  268.816  164.141   46.436   16.048   63.126   18.955 -16.68999 24.83583 
1 1 1  -24   16   12 o   91.552   8.6449  529.041   97.410  489.965  121.638  598.905  162.645   87.134   10.993   95.970   13.345 -8.835777 17.28986 
1 1 1  -24   16   13 o   68.535   12.533  316.241  104.994  304.955  127.782  339.696  184.208   66.914   15.362   70.157   19.808 -3.242790 25.06662 
1 1 1  -24   16   14 o  233.097   4.9958  3503.56  137.706  3552.30  167.391  3401.51  242.211  235.959   5.5862  230.235   8.2841 5.723740 9.991599 
1 1 1  -24   16   15 o  304.789   4.6245  6016.63  167.520  6162.60  205.124  5724.31  290.282  310.818   5.1968  298.760   7.6510 12.05804 9.249030 
1 1 1  -24   16   16 o   53.913   12.251  186.443  107.811  299.009  138.142   11.058  172.431   65.674   16.565   42.153   18.054 23.52063 24.50263 
1 1 1  -24   16   17 o   67.957   12.517  309.828  110.065  220.499  143.372  438.024  171.754   56.868   17.838   79.046   17.566 -22.17717 25.03482 
1 1 1  -24   16   18 f   85.652   10.772  515.287  110.231  568.350  142.744  436.895  173.500   92.870   12.103   78.434   17.823 14.43612 21.54448 
1 1 1  -24   16   19 o  101.711   11.115  688.206  135.483  993.826  212.425  478.639  175.904  121.623   13.754   81.800   17.465 39.82245 22.23003 
1 1 1  -24   16   20 o   54.236   14.084  191.407  129.015  242.420  180.395  137.995  184.587   58.329   20.095   50.144   19.741 8.185150 28.16881 
1 1 1  -24   16   21 o  237.256   6.2457  3649.06  185.280  3440.05  239.116  3963.11  293.101  229.398   8.2081  245.113   9.4161 -15.71503 12.49142 
1 1 1  -24   16   22 o   52.576   14.236  142.583  138.600  339.698  219.522   11.922  178.728   64.594   22.172   40.559   17.862 24.03501 28.47183 
1 1 1  -24   16   23 o   39.876   12.347 -43.6800  138.459 -386.6272  231.573  147.138  172.736   31.917   15.757   47.836   19.012 -15.91886 24.69326 
1 1 1  -24   16   24 o   40.987   13.094   14.387  141.988 -94.8812  257.474   62.139  170.209   40.785   19.214   41.189   17.793 -0.4035187 26.18720 
1 1 1  -24   18    1 o  133.334   7.1291  1174.40  105.204  1205.47  122.860  1088.98  203.691  137.254   7.0487  129.414   12.394 7.839157 14.25816 
1 1 1  -24   18    2 f   64.549   12.698  257.707   98.742  218.659  115.344  364.825  191.041   56.705   15.551   72.392   20.078 -15.68704 25.39619 
1 1 1  -24   18    3 o   74.092   11.867  409.344  102.643  463.076  120.628  268.365  195.394   84.573   11.232   63.611   20.908 20.96177 23.73340 
1 1 1  -24   18    4 o  137.663   6.9605  1205.81  107.717  1187.83  125.505  1256.07  209.891  136.212   7.2555  139.114   11.881 -2.901886 13.92104 
1 1 1  -24   18    5 o  184.397   5.7600  2145.85  122.253  2097.95  144.271  2267.86  230.238  181.202   6.2696  187.593   9.6646 -6.390549 11.52008 
1 1 1  -24   18    6 o  281.002   4.6954  5027.31  155.626  4988.85  187.717  5111.83  278.315  279.662   5.2856  282.343   7.7621 -2.681427 9.390849 
1 1 1  -24   18    7 o   60.264   12.829  233.291  102.378  196.058  126.249  304.801  174.961   54.141   16.699   66.388   19.481 -12.24733 25.65833 
1 1 1  -24   18    8 o   67.841   12.084  327.201  103.095  361.930  130.448  269.416  168.266   72.943   14.592   62.740   19.266 10.20319 24.16859 
1 1 1  -24   18    9 o  223.867   5.0070  3212.92  134.292  3214.16  164.686  3210.45  232.006  224.281   5.7821  223.452   8.1759 0.8290253 10.01391 
1 1 1  -24   18   10 o  145.183   6.5472  1327.93  116.328  1243.34  144.284  1485.05  196.640  139.009   8.1733  151.357   10.230 -12.34842 13.09439 
1 1 1  -24   18   11 o  104.043   9.3650  781.085  109.240  1003.67  144.260  481.888  167.254  124.605   9.1166   83.480   16.362 41.12441 18.73008 
1 1 1  -24   18   12 o  173.026   5.8875  1939.91  120.855  1953.81  147.148  1911.10  211.850  174.497   6.6403  171.556   9.7240 2.940506 11.77499 
1 1 1  -24   18   13 o   44.457   12.459   46.822  106.278 -36.5296  133.660  190.117  175.251   34.174   15.227   54.740   19.725 -20.56554 24.91799 
1 1 1  -24   18   14 o   50.398   12.575  130.372  101.623   50.293  127.191  271.731  168.990   39.154   16.042   61.642   19.371 -22.48809 25.15078 
1 1 1  -24   18   15 o  108.452   8.2224  783.163  111.910  793.707  148.167  769.159  170.753  109.696   10.636  107.207   12.542 2.488632 16.44471 
1 1 1  -24   18   16 o   97.627   12.952  697.517  154.495  663.012  212.138  736.486  225.445   95.060   18.236  100.193   18.396 -5.132126 25.90345 
1 1 1  -24   18   17 o  190.314   8.3065  2610.65  180.920  3673.04  249.503  1432.66  262.728  236.909   8.2931  143.719   14.395 93.19029 16.61306 
1 1 1  -24   18   18 o   59.279   14.563  268.770  135.556  326.485  194.076  213.791  189.420   64.000   20.827   54.558   20.361 9.441681 29.12677 
1 1 1  -24   18   19 o   93.785   11.774  653.677  135.875  675.242  207.084  637.375  180.051   93.545   18.086   94.025   15.079 -0.4796524 23.54770 
1 1 1  -24   18   20 o   74.229   14.947  474.452  147.104  501.525  219.918  452.530  197.893   75.566   21.746   72.891   20.513 2.675026 29.89393 
1 1 1  -24   18   21 o   39.625   12.852 -25.9986  147.540   40.550  212.281 -88.1842  205.205   42.471   19.036   36.779   17.272 5.692253 25.70450 
1 1 1  -24   20    1 o   49.295   13.337  138.490  106.465  144.092  122.607  121.321  214.660   47.220   16.549   51.370   20.919 -4.149559 26.67388 
1 1 1  -24   20    2 o  140.698   6.6565  1239.57  108.693  1165.44  128.105  1430.08  205.373  134.231   7.5151  147.164   10.989 -12.93347 13.31309 
1 1 1  -24   20    3 o   92.313   10.390  581.772  105.749  575.534  124.550  597.882  200.162   93.516   10.488   91.110   17.938 2.405571 20.77905 
1 1 1  -24   20    4 o   90.238   11.770  557.381  109.720  544.506  124.230  603.037  233.945   90.852   10.767   89.624   20.933 1.227531 23.54022 
1 1 1  -24   20    5 o  101.951   10.394  759.591  109.993  808.974  128.618  625.151  212.215  111.301   9.0996   92.601   18.690 18.70056 20.78782 
1 1 1  -24   20    6 o   33.217   10.998 -108.8910  107.905 -91.3089  129.785 -148.2556  194.197   30.383   14.091   36.051   16.890 -5.667076 21.99574 
1 1 1  -24   20    7 o  207.574   5.2903  2774.57  134.329  2725.44  168.100  2861.36  223.437  205.598   6.4383  209.550   8.3963 -3.951279 10.58065 
1 1 1  -24   20    8 o  124.130   8.3977  982.575  116.502  929.738  134.393  1142.34  233.692  119.177   8.8799  129.083   14.256 -9.906219 16.79535 
1 1 1  -24   20    9 o   51.629   14.357  155.432  120.781  160.488  135.197  135.440  268.810   48.926   17.357   54.333   22.875 -5.406818 28.71456 
1 1 1  -24   20   10 o  201.380   11.025  2713.24  281.959   0.0000   0.0000  2713.24  281.959  ?   ?   201.380   11.025      ?      ? 
1 1 1  -24   20   11 o   30.441   10.627 -269.0052  113.141 -302.6047  130.496 -167.2897  227.053   22.858   11.378   38.023   17.953 -15.16479 21.25491 
1 1 1  -24   20   12 o   67.685   12.888  289.693  124.566   96.547  155.184  639.574  208.865   43.925   17.825   91.446   18.618 -47.52169 25.77527 
1 1 1  -24   20   13 o   81.010   12.747  509.557  128.651  613.545  182.475  406.780  181.410   90.723   16.444   71.298   19.482 19.42499 25.49401 
1 1 1  -24   20   14 o   42.921   12.746   53.541  127.048 -99.8018  191.408  174.306  169.863   36.082   16.860   49.761   19.119 -13.67958 25.49139 
1 1 1  -24   20   15 o   46.963   13.638  107.464  134.646  244.245  202.385  -1.1531  180.350   55.005   20.932   38.920   17.488 16.08520 27.27645 
1 1 1  -24   20   16 o   51.620   14.165  203.768  137.645  110.489  197.422  292.003  192.010   45.384   19.375   57.856   20.667 -12.47225 28.32917 
1 1 1  -24   22    1 o   30.354   14.427 -128.0054  151.357 -128.0054  151.357   0.0000   0.0000   30.354   14.427  ?   ?       ?      ? 
1 1 1  -24   22    2 o   50.210   18.439  193.851  154.193  193.851  154.193   0.0000   0.0000   50.210   18.439  ?   ?       ?      ? 
1 1 1  -24   22    3 o   51.820   18.472  211.865  153.315  211.865  153.315   0.0000   0.0000   51.820   18.472  ?   ?       ?      ? 
1 1 1  -24   22    4 o   86.602   11.385  530.985  118.428  427.845  144.943  738.139  205.413   74.654   15.782   98.551   16.413 -23.89628 22.76977 
1 1 1  -24   22    5 o   35.763   11.303   6.7123   97.648   14.104  115.944 -11.3228  181.109   33.320   14.537   38.205   17.312 -4.885052 22.60621 
1 1 1  -24   22    6 o   41.466   11.955   97.226  101.485  147.087  117.711 -47.1639  200.310   44.803   16.162   38.128   17.620 6.674629 23.91008 
1 1 1  -24   22    7 o  102.370   9.1455  682.657  105.764  604.604  121.708  923.394  213.745   93.796   10.218  110.944   15.171 -17.14860 18.29106 
1 1 1  -24   22    8 o   35.548   16.159 -18.2716  159.316 -18.2716  159.316   0.0000   0.0000   35.548   16.159  ?   ?       ?      ? 
1 1 1  -23    1    1 o  751.234   6.0641 35732.68  576.983 37570.07  854.581 34193.47  782.173  768.905   8.7519  733.562   8.3963 35.34259 12.12823 
1 1 1  -23    1    2 o  494.202   4.2909 15466.09  268.720 14821.00  365.733 16222.90  396.139  483.041   5.9621  505.363   6.1726 -22.32220 8.581839 
1 1 1  -23    1    3 o  506.192   4.3848 16270.67  281.796 16039.53  393.223 16514.69  404.036  502.499   6.1621  509.885   6.2398 -7.386200 8.769606 
1 1 1  -23    1    4 o  1266.37   9.9193 102021.10  1595.00 103060.30  2278.36 101022.20  2233.64  1272.68   14.097  1260.06   13.959 12.62134 19.83856 
1 1 1  -23    1    5 o  908.895   7.2418 52248.63  832.705 49685.59  1120.22 55413.73  1244.86  884.134   9.9772  933.657   10.499 -49.52325 14.48370 
1 1 1  -23    1    6 o  394.695   3.8182  9894.17  191.352  9869.60  268.148  9919.67  273.146  394.196   5.3565  395.193   5.4426 -0.9967346 7.636392 
1 1 1  -23    1    7 o  983.836   7.8035 61515.13  974.763 62368.34  1395.96 60703.26  1361.72  990.485   11.098  977.187   10.973 13.29803 15.60700 
1 1 1  -23    1    8 o  874.446   7.0072 48594.94  778.113 48353.42  1094.82 48841.46  1106.10  872.253   9.8837  876.640   9.9357 -4.386536 14.01449 
1 1 1  -23    1    9 o  275.450   3.7249  4765.52  129.460  4363.16  171.599  5297.08  197.233  262.105   5.1554  288.794   5.3779 -26.68900 7.449830 
1 1 1  -23    1   10 o  509.160   4.6548 16458.52  300.853 16176.79  418.280 16760.48  433.043  504.650   6.5268  513.670   6.6385 -9.020386 9.309589 
1 1 1  -23    1   11 o  516.107   6.7604 16920.32  443.087 16920.32  443.087   0.0000   0.0000  516.107   6.7604  ?   ?       ?      ? 
1 1 1  -23    1   12 o  450.858   6.5110 12912.09  372.789 12912.09  372.789   0.0000   0.0000  450.858   6.5110  ?   ?       ?      ? 
1 1 1  -23    1   13 o  289.294   6.4630  5316.18  237.438  5316.18  237.438   0.0000   0.0000  289.294   6.4630  ?   ?       ?      ? 
1 1 1  -23    1   14 o  541.249   5.0662 18613.59  348.172 18815.60  489.896 18407.42  494.921  544.220   7.0885  538.279   7.2402 5.941284 10.13246 
1 1 1  -23    1   15 o  218.393   5.0368  3027.01  139.614  3129.91  201.574  2932.13  193.559  221.956   7.1514  214.830   7.0948 7.126221 10.07366 
1 1 1  -23    1   16 o  142.967   7.0135  1302.55  126.977  1194.91  180.120  1408.90  179.030  137.074   10.347  148.861   9.4704 -11.78709 14.02699 
1 1 1  -23    1   17 o   40.976   12.654 -49.9067  126.253   18.149  181.538 -113.6585  175.703   44.890   18.844   37.061   16.894 7.828571 25.30773 
1 1 1  -23    1   18 o  107.352   9.7324  734.831  131.270  889.890  191.636  597.757  180.180  118.045   12.784   96.659   14.679 21.38512 19.46486 
1 1 1  -23    1   19 o  144.479   7.6266  1340.76  138.899  1246.32  204.686  1421.37  189.104  139.678   11.539  149.279   9.9752 -9.600891 15.25324 
1 1 1  -23    1   20 f  141.583   15.958  1513.82  190.220  1597.77  207.689  1076.81  473.858  158.198   10.338  124.968   30.196 33.22915 31.91628 
1 1 1  -23    1   21 o  246.809   4.7402  3835.66  133.964  3781.51  157.777  3975.52  253.585  243.857   5.0948  249.761   7.9951 -5.904312 9.480426 
1 1 1  -23    1   22 o  155.392   12.866  1509.27  190.997  1656.23  470.465  1480.27  208.994  158.684   23.346  152.100   10.820 6.583618 25.73164 
1 1 1  -23    1   23 o  120.295   8.0516  873.364  107.878  819.666  123.773  1043.09  220.048  113.303   8.6022  127.287   13.613 -13.98405 16.10321 
1 1 1  -23    1   24 o   72.899   10.212  356.668   90.999  380.201  125.315  330.416  132.358   75.685   13.535   70.113   15.296 5.571388 20.42429 
1 1 1  -23    1   25 o  109.064   6.6790  764.339   92.238  804.941  128.091  720.611  132.933  112.127   8.9956  106.002   9.8751 6.125481 13.35810 
1 1 1  -23    1   26 o   99.629   7.5158  638.250   94.944  642.391  138.358  634.565  130.526   99.900   10.906   99.357   10.345 0.5429688 15.03169 
1 1 1  -23    1   27 f   37.787   11.567 -29.8840  104.475   47.972  152.879 -98.1029  143.105   42.815   17.570   32.760   15.050 10.05533 23.13417 
1 1 1  -23    1   28 o   49.786   12.393  140.236  102.799   47.493  153.035  216.496  138.770   42.668   17.552   56.903   17.500 -14.23491 24.78568 
1 1 1  -23    1   29 f   71.237   12.051  355.618  116.500  177.047  169.657  514.948  160.256   54.105   19.417   88.369   14.280 -34.26427 24.10243 
1 1 1  -23    1   30 o   43.800   12.534   64.787  108.623  114.731  162.111   24.094  146.330   47.902   18.603   39.698   16.804 8.204323 25.06859 
1 1 1  -23    1   31 f   49.488   11.711  117.692  107.963 -103.8794  158.919  307.602  147.127   33.784   15.641   65.193   17.433 -31.40887 23.42153 
1 1 1  -23    1   32 o  256.971   4.2059  4256.25  137.211  4358.07  197.080  4160.46  191.147  259.938   5.9703  254.005   5.9258 5.932556 8.411867 
1 1 1  -23    1   33 o   50.503   12.868  175.981  109.029  259.976  158.119   99.845  150.541   57.618   18.802   43.387   17.574 14.23039 25.73595 
1 1 1  -23    1   34 o   42.883   12.201   87.170  109.299  205.707  155.938 -27.3035  153.242   50.960   18.569   34.806   15.831 16.15350 24.40150 
1 1 1  -23    3    1 o  440.549   3.9574 12322.16  221.339 12115.42  308.578 12541.26  317.662  436.746   5.5636  444.353   5.6294 -7.607697 7.914779 
1 1 1  -23    3    2 o  671.221   5.5004 28618.00  468.767 28298.04  655.269 28953.39  670.878  667.382   7.7316  675.060   7.8257 -7.678772 11.00086 
1 1 1  -23    3    3 o  146.553   3.7570  1363.62   69.647  1358.23   94.309  1370.08  103.297  146.237   5.0783  146.870   5.5383 -0.6326141 7.514096 
1 1 1  -23    3    4 o  643.734   5.3344 26324.63  436.022 26178.58  610.927 26476.26  622.492  641.917   7.4943  645.552   7.5932 -3.634583 10.66873 
1 1 1  -23    3    5 o  366.530   3.6849  8533.36  171.506  8630.91  241.972  8434.88  243.125  368.637   5.1688  364.424   5.2534 4.212128 7.369873 
1 1 1  -23    3    6 o   65.161   8.4993  283.733   67.167  169.951   94.385  400.474   95.604   50.938   14.107   79.383   9.4835 -28.44479 16.99861 
1 1 1  -23    3    7 o   53.924   9.1219  194.714   70.395  315.035   94.748   46.452  105.174   70.402   10.598   37.446   14.850 32.95618 18.24378 
1 1 1  -23    3    8 o  164.926   6.0864  1727.69  127.475  1727.69  127.475   0.0000   0.0000  164.926   6.0864  ?   ?       ?      ? 
1 1 1  -23    3   10 o  279.740   4.2971  4963.78  152.529  4700.50  211.676  5248.13  219.980  272.034   6.1273  287.446   6.0263 -15.41165 8.594178 
1 1 1  -23    3   11 f  497.474   6.7175 15720.54  424.378 15720.54  424.378   0.0000   0.0000  497.474   6.7175  ?   ?       ?      ? 
1 1 1  -23    3   12 o  594.769   7.4056 22473.53  559.349 22473.53  559.349   0.0000   0.0000  594.769   7.4056  ?   ?       ?      ? 
1 1 1  -23    3   13 o  247.368   4.7861  3886.76  150.269  3899.18  216.284  3875.17  208.932  247.749   6.8744  246.988   6.6612 0.7604065 9.572297 
1 1 1  -23    3   14 o  336.105   4.3759  7130.64  185.913  6733.56  248.836  7632.34  279.703  325.585   6.0183  346.625   6.3542 -21.04083 8.751866 
1 1 1  -23    3   15 f  102.335   9.8976  699.143  119.301  468.317  170.297  921.597  167.180   84.289   16.500  120.382   10.936 -36.09315 19.79515 
1 1 1  -23    3   16 o  156.762   6.4020  1562.93  127.431  1534.85  180.316  1590.94  180.114  155.354   9.1398  158.171   8.9669 -2.817795 12.80391 
1 1 1  -23    3   17 o  369.590   4.4910  8670.37  210.141  8521.92  285.117  8846.91  310.925  366.147   6.1318  373.033   6.5634 -6.886353 8.982091 
1 1 1  -23    3   18 o  216.830   4.9151  2918.73  122.064  2828.17  143.227  3159.04  233.322  210.922   5.3472  222.737   8.2487 -11.81525 9.830225 
1 1 1  -23    3   19 o  142.412   6.3978  1285.08  107.113  1272.51  128.754  1313.36  193.032  141.390   7.1707  143.433   10.597 -2.042725 12.79554 
1 1 1  -23    3   20 o   49.638   12.421  141.209   94.544  160.325  113.266   97.290  171.682   50.247   15.868   49.028   19.115 1.219547 24.84282 
1 1 1  -23    3   21 o  150.349   5.9394  1415.22  110.374  1333.95  139.100  1553.39  181.359  144.688   7.5704  156.010   9.1540 -11.32167 11.87878 
1 1 1  -23    3   22 o  155.704   6.1518  1514.32  113.076  1460.55  135.607  1637.03  204.849  151.404   7.0529  160.004   10.082 -8.599884 12.30366 
1 1 1  -23    3   23 o  103.835   9.1486  701.427  112.255  715.577  136.652  672.064  196.851  105.724   10.178  101.947   15.205 3.776703 18.29712 
1 1 1  -23    3   24 o   75.635   17.868  402.771  188.915 -147.0359  528.908  483.171  202.256   67.083   30.060   84.187   19.327 -17.10375 35.73668 
1 1 1  -23    3   25 o  105.062   8.5442  718.128  107.601  731.584  132.709  692.306  183.836  106.791   9.7856  103.334   14.009 3.457253 17.08838 
1 1 1  -23    3   26 o  248.736   4.4150  3960.53  137.459  3136.77  190.820  4849.08  198.182  221.653   6.7791  275.819   5.6580 -54.16548 8.830010 
1 1 1  -23    3   27 o   39.127   11.496   28.803   94.573   0.1305  139.846   52.967  128.380   37.892   16.245   40.362   16.271 -2.470009 22.99224 
1 1 1  -23    3   28 o  147.788   6.3428  1411.26  117.413  1362.74  179.840  1447.30  155.008  145.395   9.7400  150.181   8.1276 -4.785721 12.68563 
1 1 1  -23    3   29 o   49.881   12.871  145.311  105.728  115.536  166.726  165.339  136.738   48.710   18.880   51.052   17.500 -2.342434 25.74270 
1 1 1  -23    3   30 o   92.708   9.5212  551.784  106.485  775.153  170.828  409.835  136.180  108.270   12.424   77.146   14.431 31.12411 19.04232 
1 1 1  -23    3   31 o   55.014   12.602  186.033   97.885  318.441  171.040  121.547  119.364   65.501   19.273   44.526   16.243 20.97514 25.20435 
1 1 1  -23    3   32 o   26.915   13.267 -525.0671  109.039 -304.3174  161.893 -708.3540  147.518   26.915   13.267  ?   ?       ?      ? 
1 1 1  -23    3   33 o   37.334   11.650  -1.5589  111.234 -88.7125  169.018   65.030  147.738   34.264   15.955   40.405   16.982 -6.141064 23.30097 
1 1 1  -23    3   34 o   50.168   12.981  187.078  114.481  301.314  164.975   80.977  158.993   59.175   19.200   41.161   17.475 18.01439 25.96167 
1 1 1  -23    5    1 o  1364.10   10.672 118378.20  1848.67 117775.20  2597.61 118997.00  2631.53  1360.59   15.034  1367.60   15.152 -7.018188 21.34481 
1 1 1  -23    5    3 o  311.876   3.5600  6151.91  140.165  5955.96  187.031  6402.96  211.700  306.237   4.8093  317.515   5.2502 -11.27777 7.119957 
1 1 1  -23    5    4 o  555.091   4.8172 19565.64  339.301 19405.58  469.602 19740.46  490.785  552.721   6.6903  557.461   6.9326 -4.740845 9.634417 
1 1 1  -23    5    5 o  287.714   3.7200  5253.66  135.309  5218.23  182.596  5296.82  201.511  286.642   5.0162  288.786   5.4947 -2.143951 7.440014 
1 1 1  -23    5    7 o  376.883   6.0991  9022.16  291.909   0.0000   0.0000  9022.16  291.909  ?   ?   376.883   6.0991      ?      ? 
1 1 1  -23    5    8 o  187.499   5.0799  2234.49  120.700  2252.44  165.755  2214.23  176.106  188.304   6.9315  186.694   7.4279 1.609909 10.15972 
1 1 1  -23    5   10 o  663.565   5.7520 27970.69  484.614 28773.86  690.222 27189.81  680.574  672.961   8.0765  654.169   8.1923 18.79199 11.50408 
1 1 1  -23    5   11 o  141.391   6.3356  1261.15  113.286  1430.46  167.930  1119.76  153.466  150.038   8.8136  132.744   9.1038 17.29422 12.67111 
1 1 1  -23    5   12 o  422.959   4.5640 11381.77  244.546 11656.18  336.736 11075.55  355.725  428.369   6.1900  417.549   6.7086 10.81995 9.128058 
1 1 1  -23    5   13 o  230.427   4.7190  3372.81  137.964  3571.11  196.713  3180.84  193.547  237.095   6.5333  223.760   6.8113 13.33508 9.438087 
1 1 1  -23    5   14 o  331.481   4.3211  6708.26  162.585  6398.07  189.066  7588.75  318.541  317.382   4.6909  345.580   7.2584 -28.19778 8.642228 
1 1 1  -23    5   15 o  285.986   4.2083  5048.96  138.052  4863.73  161.942  5541.53  264.081  276.704   4.6086  295.269   7.0427 -18.56491 8.416610 
1 1 1  -23    5   16 o  102.262   7.5734  673.504   92.476  687.995  113.619  645.064  159.171  103.974   8.6050  100.551   12.465 3.422195 15.14688 
1 1 1  -23    5   17 o  152.203   5.2925  1443.15   96.927  1380.97  118.178  1570.94  169.420  147.352   6.3154  157.054   8.4945 -9.702026 10.58496 
1 1 1  -23    5   18 o  195.631   4.6750  2478.90  110.753  2591.37  139.053  2283.75  183.165  201.876   5.4240  189.385   7.6159 12.49057 9.349919 
1 1 1  -23    5   19 o   86.788   8.2757  471.233   88.037  443.796  109.510  521.359  148.023   83.364   10.344   90.212   12.921 -6.847862 16.55144 
1 1 1  -23    5   20 f   82.408   9.5726  439.638   95.028  430.058  120.517  455.386  154.510   81.967   11.578   82.848   15.248 -0.8814545 19.14512 
1 1 1  -23    5   21 o  363.342   4.5540  8264.65  194.621  8040.67  233.088  8780.30  353.665  355.532   5.1625  371.152   7.5035 -15.61923 9.107912 
1 1 1  -23    5   22 o   43.498   12.368   59.773  102.006   55.494  129.242   66.844  166.120   40.987   16.395   46.009   18.522 -5.021770 24.73540 
1 1 1  -23    5   23 o  165.598   5.8451  1740.80  116.830  1716.64  143.867  1787.59  200.204  164.074   6.9047  167.122   9.4332 -3.048492 11.69019 
1 1 1  -23    5   24 o   33.625   10.965 -105.8578  103.909 -107.2614  129.529 -103.3237  174.041   30.381   14.085   36.870   16.809 -6.489052 21.93055 
1 1 1  -23    5   25 o   33.674   11.003 -140.3088  114.837 -27.5412  139.425 -378.1879  202.500   36.168   15.856   31.181   15.261 4.986864 22.00695 
1 1 1  -23    5   26 o   31.410   10.974 -394.2585  132.505 -458.9272  159.442 -249.8787  238.237   23.948   12.018   38.871   18.364 -14.92324 21.94724 
1 1 1  -23    5   27 o   54.926   14.469  164.988  138.708  235.335  168.762   18.519  243.514   59.773   19.420   50.080   21.453 9.692375 28.93725 
1 1 1  -23    5   28 o   39.982   11.970   20.033  104.717 -12.9311  162.558   43.415  136.908   39.634   17.254   40.329   16.597 -0.6955032 23.94089 
1 1 1  -23    5   29 o   68.418   12.746  318.884  110.001  397.717  179.445  271.426  139.229   74.637   18.910   62.200   17.097 12.43713 25.49288 
1 1 1  -23    5   30 o   85.150   10.873  509.715  105.457  481.874  187.911  522.514  127.413   81.378   18.590   88.922   11.283 -7.543968 21.74638 
1 1 1  -23    5   31 o   32.372   15.515 -207.7337  182.896 -207.7337  182.896   0.0000   0.0000   32.372   15.515  ?   ?       ?      ? 
1 1 1  -23    5   32 o   35.366   11.055 -24.1019  102.678 -136.2490  156.916   59.870  135.782   31.308   14.825   39.424   16.403 -8.116772 22.11002 
1 1 1  -23    5   33 o   30.545   14.447 -114.2197  148.178   0.0000   0.0000 -114.2197  148.178  ?   ?    30.545   14.447      ?      ? 
1 1 1  -23    7    1 o  690.841   5.7900 30292.26  507.707 31381.06  732.112 29283.50  704.686  702.787   8.2031  678.895   8.1736 23.89240 11.58009 
1 1 1  -23    7    2 o  507.546   6.4119 16363.06  413.275 16363.06  413.275   0.0000   0.0000  507.546   6.4119  ?   ?       ?      ? 
1 1 1  -23    7    3 o  710.079   8.3059 32036.10  748.985 32036.10  748.985   0.0000   0.0000  710.079   8.3059  ?   ?       ?      ? 
1 1 1  -23    7    5 f  657.988   7.8706 27506.79  657.665 27506.79  657.665   0.0000   0.0000  657.988   7.8706  ?   ?       ?      ? 
1 1 1  -23    7    6 o  793.338   6.5773 39983.88  662.525 41068.29  945.793 38939.10  928.354  803.899   9.2644  782.778   9.3389 21.12164 13.15465 
1 1 1  -23    7    7 o  931.981   7.5528 55184.99  893.317 54503.68  1237.92 55925.28  1290.39  925.996   10.527  937.966   10.833 -11.96912 15.10554 
1 1 1  -23    7    8 o  777.297   6.4584 38202.30  634.699 36475.17  851.232 40364.73  952.478  757.631   8.8473  796.963   9.4111 -39.33197 12.91679 
1 1 1  -23    7    9 o  744.539   7.0278 35087.38  576.692 34939.61  665.968 35530.36  1153.07  741.606   7.0714  747.473   12.147 -5.867371 14.05568 
1 1 1  -23    7   10 o  230.743   4.2339  3434.05  114.424  3521.02  138.346  3245.75  203.570  235.456   4.6268  226.029   7.0921 9.426712 8.467848 
1 1 1  -23    7   11 o  400.930   4.4862 10219.19  205.619 10228.87  242.770 10194.64  386.766  401.309   4.7636  400.551   7.6035 0.7586060 8.972459 
1 1 1  -23    7   12 o  229.700   4.1699  3393.47  114.399  3478.32  140.697  3227.95  196.513  234.011   4.7345  225.389   6.8656 8.621857 8.339794 
1 1 1  -23    7   13 o  249.271   4.0489  3901.53  118.542  3827.97  142.056  4070.22  215.122  245.479   4.5569  253.063   6.6939 -7.583511 8.097756 
1 1 1  -23    7   14 o  282.350   4.4762  5044.63  158.023  4938.45  205.168  5199.47  247.766  278.742   5.7960  285.958   6.8228 -7.216125 8.952320 
1 1 1  -23    7   15 o  349.150   4.2678  7746.04  171.794  7738.09  203.898  7765.49  318.952  348.947   4.6012  349.353   7.1893 -0.4050598 8.535622 
1 1 1  -23    7   16 o  183.625   4.6341  2209.28  103.324  2402.31  131.886  1902.55  166.256  194.381   5.3428  172.869   7.5732 21.51180 9.268197 
1 1 1  -23    7   17 f  248.983   4.2395  3980.27  127.598  4067.46  158.800  3821.42  214.347  252.940   4.9437  245.026   6.8885 7.913406 8.478937 
1 1 1  -23    7   18 o  138.321   5.5769  1248.32   94.961  1366.24  123.869  1080.23  147.891  146.503   6.6579  130.139   8.9486 16.36456 11.15372 
1 1 1  -23    7   19 o   49.374   11.867  144.010   87.825  130.999  114.363  162.715  137.119   46.897   16.005   51.850   17.526 -4.953072 23.73387 
1 1 1  -23    7   20 o   43.935   11.820   88.267   91.951  116.341  121.951   51.278  139.981   45.905   16.463   41.964   16.964 3.941170 23.63926 
1 1 1  -23    7   21 o   36.588   11.181 -61.7347   98.081 -150.8502  126.702   71.518  154.933   28.031   13.287   45.145   17.986 -17.11362 22.36173 
1 1 1  -23    7   22 o   36.098   11.257 -35.9989  100.244   6.2723  126.010 -108.8627  165.440   36.662   15.561   35.534   16.272 1.128361 22.51462 
1 1 1  -23    7   23 o  322.561   4.6034  6592.27  176.696  6511.93  214.541  6761.70  311.540  319.772   5.2832  325.350   7.5402 -5.578430 9.206892 
1 1 1  -23    7   24 o   33.750   16.480 -563.3177  112.817 -609.3341  129.089 -414.5212  232.128  ?   ?    33.750   16.480      ?      ? 
1 1 1  -23    7   25 o   27.555   9.8209 -441.4092  122.756 -427.4234  143.827 -478.9289  235.573   22.497   11.307   32.612   16.061 -10.11507 19.64173 
1 1 1  -23    7   26 o  132.682   7.8963  1156.18  130.789  1276.00  176.077  1008.69  195.346  140.740   9.8516  124.625   12.343 16.11517 15.79260 
1 1 1  -23    7   27 o   76.179   13.474  392.439  130.416  294.323  170.309  531.542  202.784   65.154   19.249   87.204   18.860 -22.04934 26.94853 
1 1 1  -23    7   28 o   59.674   14.577  233.046  133.071  208.898  175.077  266.082  204.775   56.701   19.781   62.646   21.416 -5.945389 29.15380 
1 1 1  -23    7   29 o   62.500   12.075  297.392   99.141  186.994  178.570  346.586  119.201   54.199   19.852   70.800   13.753 -16.60104 24.15070 
1 1 1  -23    7   30 o   31.781   15.951 -916.7041  135.234 -707.0502  281.446 -979.6381  154.201   31.781   15.951  ?   ?       ?      ? 
1 1 1  -23    7   31 o   45.080   17.291  125.537  138.779   0.0000   0.0000  125.537  138.779  ?   ?    45.080   17.291      ?      ? 
1 1 1  -23    7   32 o   35.887   15.837   8.4353  141.226   0.0000   0.0000   8.4353  141.226  ?   ?    35.887   15.837      ?      ? 
1 1 1  -23    9    1 o  437.225   4.6670 12043.97  223.015 11948.75  256.235 12341.42  452.891  433.745   4.6519  440.705   8.0922 -6.960236 9.334011 
1 1 1  -23    9    2 o  241.667   3.8857  3552.80  104.700  3394.67  120.542  4038.58  211.280  231.198   4.1056  252.136   6.5985 -20.93808 7.771495 
1 1 1  -23    9    3 o  156.695   4.5770  1571.07   80.800  1584.50   94.730  1535.22  154.792  157.949   4.7227  155.439   7.8417 2.510025 9.154035 
1 1 1  -23    9    4 o  421.275   4.5784 10908.71  209.128 10590.08  238.207 11980.01  436.781  408.341   4.5936  434.209   7.9211 -25.86783 9.156718 
1 1 1  -23    9    5 o  186.315   4.0921  2030.39   88.390  1809.40  103.179  2639.81  171.341  168.785   4.8137  203.845   6.6189 -35.06015 8.184206 
1 1 1  -23    9    6 o  431.472   4.6803 11475.36  218.981 11167.01  249.570 12507.00  456.496  419.310   4.6868  443.634   8.1028 -24.32397 9.360637 
1 1 1  -23    9    7 o  161.900   4.5406  1535.86   86.531  1347.90  102.065  2016.24  163.167  145.668   5.5174  178.132   7.2130 -32.46414 9.081242 
1 1 1  -23    9    8 o  279.337   3.9821  4941.21  129.122  4918.12  153.851  4996.23  237.480  278.266   4.3537  280.409   6.6689 -2.143494 7.964282 
1 1 1  -23    9    9 o  645.624   6.2334 26320.59  443.236 26134.98  511.329 26881.58  888.956  641.316   6.2784  649.932   10.770 -8.615540 12.46683 
1 1 1  -23    9   10 o  144.001   5.0067  1282.39   84.214  1230.31  100.001  1409.39  156.162  139.143   5.6593  148.859   8.2608 -9.716171 10.01341 
1 1 1  -23    9   11 o  154.466   5.6614  1516.52  111.055  1516.52  111.055   0.0000   0.0000  154.466   5.6614  ?   ?       ?      ? 
1 1 1  -23    9   12 o  618.779   6.0547 24148.26  414.174 23912.10  478.438 24854.49  827.362  613.223   6.1437  624.334   10.435 -11.11096 12.10944 
1 1 1  -23    9   13 o   67.032   10.204  301.997   82.802  324.800  103.662  261.802  137.627   71.312   11.447   62.752   16.895 8.559849 20.40763 
1 1 1  -23    9   14 o  215.978   4.0733  2949.68  107.777  2903.50  135.108  3030.49  178.726  213.710   4.9782  218.245   6.4486 -4.534607 8.146614 
1 1 1  -23    9   15 o  101.911   6.7199  668.350   85.194  693.768  111.132  632.121  132.676  104.335   8.3875   99.487   10.501 4.847641 13.43984 
1 1 1  -23    9   16 f  202.225   4.4145  2561.66  109.930  2444.21  137.975  2765.82  181.906  196.025   5.5426  208.424   6.8726 -12.39931 8.829054 
1 1 1  -23    9   17 o  215.791   4.3458  2963.12  113.726  2961.33  141.230  2966.42  191.804  215.776   5.1540  215.807   6.9986 -0.3160095E-01 8.691652 
1 1 1  -23    9   18 o   85.192   8.4781  456.500   89.823  424.118  114.280  508.838  145.289   81.379   11.058   89.005   12.854 -7.625366 16.95612 
1 1 1  -23    9   19 f   56.984   11.598  197.415   90.806  117.576  117.704  314.792  142.718   45.625   16.194   68.343   16.607 -22.71804 23.19572 
1 1 1  -23    9   20 o  155.377   5.6312  1535.54  108.450  1514.27  138.556  1569.17  174.251  154.085   7.0808  156.669   8.7582 -2.583923 11.26248 
1 1 1  -23    9   21 o  199.081   5.0364  2554.39  122.833  2629.15  155.808  2431.62  199.661  203.110   6.0406  195.051   8.0606 8.059433 10.07283 
1 1 1  -23    9   22 f  139.776   7.2766  1166.96  113.584  1079.60  130.204  1445.14  232.335  129.940   7.8905  149.611   12.228 -19.67101 14.55318 
1 1 1  -23    9   23 o  358.874   9.5365  8271.23  434.618   0.0000   0.0000  8271.23  434.618  ?   ?   358.874   9.5365      ?      ? 
1 1 1  -23    9   24 o   45.589   12.936   7.4850  117.907 -99.5883  147.464  197.267  196.323   33.284   15.286   57.894   20.875 -24.61061 25.87287 
1 1 1  -23    9   25 o   48.628   13.388   74.403  123.051 -20.9837  161.360  206.964  190.222   39.177   17.119   58.080   20.590 -18.90293 26.77682 
1 1 1  -23    9   26 o   54.467   13.937  175.309  126.710  232.515  171.269  106.133  188.336   59.094   19.582   49.840   19.838 9.254013 27.87476 
1 1 1  -23    9   27 o   48.070   13.721   94.860  129.212  115.173  172.570   68.942  194.932   48.707   19.115   47.434   19.688 1.272839 27.44105 
1 1 1  -23    9   28 o   39.353   13.297 -171.3144  154.669 -349.1490  341.300 -125.3536  173.509   44.025   21.125   34.681   16.154 9.344730 26.59403 
1 1 1  -23    9   29 o  199.471   9.6670  1340.41  200.579 -1284.9969  349.649  2628.16  244.878  ?   ?   199.471   9.6670      ?      ? 
1 1 1  -23    9   30 o   53.179   15.590  158.954  165.331  242.465  280.890  114.685  204.511   58.311   23.859   48.047   20.073 10.26447 31.17956 
1 1 1  -23    9   31 o   50.519   17.982  196.554  145.223   0.0000   0.0000  196.554  145.223  ?   ?    50.519   17.982      ?      ? 
1 1 1  -23   11    1 o  176.697   4.2628  1979.24   84.891  1972.66   99.254  1997.17  163.832  176.201   4.4357  177.194   7.2807 -0.9923706 8.525505 
1 1 1  -23   11    2 o  520.612   5.2418 17177.67  301.403 17113.01  348.491 17369.63  600.428  518.906   5.2884  522.318   9.0521 -3.411499 10.48368 
1 1 1  -23   11    3 o  164.133   4.3087  1710.60   82.127  1707.54   97.962  1717.83  150.661  163.928   4.7057  164.339   7.2191 -0.4111481 8.617383 
1 1 1  -23   11    4 f  140.604   5.7038  1269.89  100.847  1430.23  139.991  1096.91  145.401  149.944   7.3518  131.265   8.7225 18.67883 11.40752 
1 1 1  -23   11    5 o  159.170   4.3401  1544.15   81.652  1439.26   97.397  1792.21  149.780  150.484   5.0965  167.855   7.0265 -17.37057 8.680256 
1 1 1  -23   11    6 o  371.604   4.3260  8773.39  183.432  8763.94  216.219  8797.66  346.477  371.365   4.5848  371.844   7.3373 -0.4791260 8.651937 
1 1 1  -23   11    7 o  228.625   4.0069  3367.39  107.546  3442.21  130.173  3206.50  190.884  232.739   4.4043  224.510   6.6951 8.228897 8.013835 
1 1 1  -23   11    8 o  213.340   4.1484  2916.67  104.056  2954.35  125.793  2835.01  185.185  215.602   4.5944  211.078   6.9085 4.524521 8.296747 
1 1 1  -23   11    9 o  131.970   6.0715  1111.79  101.491  1074.27  147.395  1145.63  139.954  129.829   8.9399  134.111   8.2176 -4.281479 12.14291 
1 1 1  -23   11   10 o  394.233   4.4862  9951.16  204.462 10042.35  243.777  9734.83  375.468  397.462   4.8297  391.004   7.5616 6.457336 8.972395 
1 1 1  -23   11   11 o  388.034   4.4612  9614.52  199.681  9662.61  237.454  9498.39  368.996  389.865   4.7961  386.202   7.5237 3.663025 8.922331 
1 1 1  -23   11   12 o  158.536   4.7239  1571.42   92.159  1491.32  115.442  1712.16  153.026  153.106   5.9374  163.966   7.3491 -10.86047 9.447853 
1 1 1  -23   11   13 o   83.263   7.9679  441.960   80.596  438.211  100.129  448.858  135.825   82.853   9.5164   83.674   12.782 -0.8212280 15.93582 
1 1 1  -23   11   14 o  233.159   4.1460  3444.65  114.755  3418.09  139.160  3501.10  202.864  231.850   4.7264  234.469   6.8131 -2.618301 8.291967 
1 1 1  -23   11   15 o  167.169   4.8773  1776.31   97.217  1768.80  118.483  1791.78  170.070  166.723   5.5961  167.615   7.9898 -0.8919678 9.754675 
1 1 1  -23   11   16 o  143.943   5.5320  1314.07   99.126  1284.31  127.436  1359.66  157.733  141.953   7.0692  145.934   8.5111 -3.981400 11.06403 
1 1 1  -23   11   17 o  217.290   4.4716  3023.81  118.311  3064.97  148.207  2951.50  196.437  219.445   5.3182  215.135   7.1901 4.310440 8.943198 
1 1 1  -23   11   18 f  276.735   4.3836  4806.68  146.068  4656.38  178.674  5109.53  253.627  270.458   5.2022  283.011   7.0569 -12.55368 8.767118 
1 1 1  -23   11   19 o  121.104   7.1774  911.007  108.308  790.932  137.833  1104.83  175.117  111.055   9.7732  131.153   10.514 -20.09796 14.35487 
1 1 1  -23   11   20 o   96.677   10.177  510.203  107.548  430.617  120.719  816.370  236.775   81.724   11.632  111.629   16.702 -29.90500 20.35365 
1 1 1  -23   11   21 o  371.607   6.2244  9316.53  265.904 14095.67  381.693  4810.17  370.640  469.944   6.3957  273.269   10.680 196.6753 12.44888 
1 1 1  -23   11   22 o   59.517   11.948   77.901  119.759 -154.6219  147.001  536.806  206.513   30.777   14.505   88.257   18.989 -57.47944 23.89507 
1 1 1  -23   11   23 o   44.331   12.802   47.765  117.686  117.914  160.501 -33.8070  173.076   48.759   18.620   39.904   17.575 8.855183 25.60475 
1 1 1  -23   11   24 f   60.550   13.689  251.566  122.508  313.117  157.227  156.448  195.452   67.012   18.065   54.087   20.574 12.92523 27.37892 
1 1 1  -23   11   25 o   54.600   13.758  176.336  118.147  132.603  150.272  247.130  191.192   48.577   18.134   60.622   20.694 -12.04508 27.51524 
1 1 1  -23   11   26 o   52.366   15.140  130.407  147.315 -56.0608  330.903  176.499  164.517   52.016   23.501   52.715   19.093 -0.6993790 30.27961 
1 1 1  -23   11   27 o   39.192   12.899 -138.8450  152.404 -60.7671  239.468 -191.9995  197.585   43.669   19.835   34.715   16.495 8.953762 25.79749 
1 1 1  -23   11   28 o   25.220   12.797 -1071.1000  162.730 -1597.1110  253.591 -702.8639  212.178  ?   ?    25.220   12.797      ?      ? 
1 1 1  -23   11   29 o   54.694   13.640   98.337  142.727  504.491  229.176 -159.0047  182.423   76.301   22.269   33.086   15.758 43.21564 27.28018 
1 1 1  -23   11   30 o   60.022   13.391  295.621  141.519   10.533  214.024  517.105  188.645   41.421   18.790   78.623   19.086 -37.20197 26.78288 
1 1 1  -23   13    1 o  314.326   4.0656  6209.60  142.596  6128.91  165.402  6443.21  281.418  310.531   4.1943  318.121   6.9660 -7.589447 8.131235 
1 1 1  -23   13    2 o  239.970   4.1850  3656.29  116.948  3645.37  139.743  3681.81  213.643  239.466   4.5953  240.475   6.9959 -1.009064 8.370094 
1 1 1  -23   13    3 f  135.666   4.9308  1113.57   79.956  1011.84   96.019  1343.65  144.397  126.110   5.9956  145.222   7.8298 -19.11179 9.861673 
1 1 1  -23   13    4 f  286.598   4.0560  5324.27  134.360  5473.08  160.982  4982.61  243.932  293.437   4.3200  279.758   6.8661 13.67920 8.112059 
1 1 1  -23   13    5 o  356.406   4.3058  8094.67  175.005  8110.12  206.370  8055.11  330.215  357.178   4.5497  355.635   7.3116 1.543518 8.611623 
1 1 1  -23   13    6 o   60.649   12.393  244.094   92.227  244.094   92.227   0.0000   0.0000   60.649   12.393  ?   ?       ?      ? 
1 1 1  -23   13    7 o  157.593   4.5953  1568.66   87.887  1540.03  108.776  1622.48  149.154  155.595   5.5050  159.592   7.3594 -3.996643 9.190573 
1 1 1  -23   13    8 o   51.604   10.671  177.877   73.292  196.060   90.539  143.309  124.837   54.205   13.262   49.003   16.722 5.202652 21.34191 
1 1 1  -23   13    9 o  352.028   4.2847  7788.38  175.168  7646.87  208.135  8131.99  324.330  346.779   4.7262  357.277   7.1483 -10.49802 8.569464 
1 1 1  -23   13   10 o  142.569   5.0875  1262.25   89.283  1170.57  111.496  1426.12  149.059  135.584   6.4755  149.554   7.8485 -13.96979 10.17500 
1 1 1  -23   13   11 o   38.454   9.9095   24.469   80.244  163.749  103.968 -180.7428  126.199   50.138   15.093   26.770   12.846 23.36835 19.81907 
1 1 1  -23   13   12 o  140.976   5.4618  1271.13   93.821  1280.09  117.435  1255.32  155.996  141.756   6.5234  140.195   8.7620 1.560913 10.92369 
1 1 1  -23   13   13 f  214.553   4.4262  2960.17  114.618  3024.90  142.409  2841.10  193.129  218.027   5.1434  211.079   7.2048 6.947983 8.852356 
1 1 1  -23   13   14 o  179.092   4.7941  2022.72  105.715  1957.72  133.031  2134.11  174.143  175.311   5.9754  182.872   7.4986 -7.560135 9.588252 
1 1 1  -23   13   15 o  245.617   4.8651  3855.30  151.462  4069.53  212.300  3633.23  216.151  252.622   6.6176  238.613   7.1332 14.00815 9.730141 
1 1 1  -23   13   16 o   80.906   9.7926  414.957   96.869  353.616  123.272  513.984  156.627   72.743   13.850   89.068   13.847 -16.32433 19.58510 
1 1 1  -23   13   17 o   66.954   11.599  158.497  103.697   3.5074  118.761  655.830  212.737   35.353   15.058   98.555   17.646 -63.20247 23.19743 
1 1 1  -23   13   18 o  456.346   5.7827 13539.38  309.159 13889.96  374.130 12784.59  548.960  466.561   6.3145  446.132   9.6895 20.42966 11.56539 
1 1 1  -23   13   19 o   26.874   9.4559 -352.5237  110.721 -360.4504  135.116 -336.3209  193.177   22.703   11.345   31.044   15.131 -8.340942 18.91188 
1 1 1  -23   13   20 o   40.952   12.251   20.631  108.799   65.836  132.879 -71.3185  189.514   41.875   16.665   40.029   17.961 1.845444 24.50152 
1 1 1  -23   13   21 o  138.917   6.7562  1224.01  118.211  1063.95  156.167  1438.77  180.898  128.452   9.5735  149.383   9.5357 -20.93140 13.51231 
1 1 1  -23   13   22 o   93.456   11.054  632.442  119.924  802.050  158.720  406.803  183.070  110.991   11.261   75.922   19.026 35.06837 22.10851 
1 1 1  -23   13   23 o   62.289   13.721  266.374  145.789 -66.5355  246.114  446.339  180.954   45.369   20.404   79.209   18.349 -33.83964 27.44123 
1 1 1  -23   13   24 o  103.483   14.015  747.148  156.590  828.658  316.029  720.624  180.277  103.413   24.450  103.553   13.709 -0.1403503 28.03059 
1 1 1  -23   13   25 o  101.388   12.293  742.114  153.374  801.064  210.897  675.934  223.454  107.381   15.466   95.395   19.111 11.98568 24.58508 
1 1 1  -23   13   26 o   26.649   9.5145 -594.2220  145.752 -713.3585  197.417 -451.4737  216.097   23.627   12.024   29.670   14.748 -6.042536 19.02899 
1 1 1  -23   13   27 o   45.844   13.733   95.079  137.752   82.808  210.109  104.330  182.430   46.071   19.835   45.617   19.000 0.4543343 27.46676 
1 1 1  -23   13   28 o   44.290   13.513   80.013  138.089  149.070  208.706   26.243  184.163   48.335   20.243   40.245   17.906 8.090103 27.02614 
1 1 1  -23   15    1 o   65.505   10.374  286.220   79.640  293.270   94.983  269.530  146.139   67.624   11.060   63.387   17.554 4.237141 20.74764 
1 1 1  -23   15    2 o  266.368   4.2081  4511.11  127.275  4502.43  149.544  4533.93  242.418  266.075   4.4257  266.661   7.1586 -0.5865173 8.416193 
1 1 1  -23   15    3 o   97.869   6.7689  606.494   79.331  594.325   96.747  631.469  138.597   96.502   7.8944   99.237   10.998 -2.734299 13.53782 
1 1 1  -23   15    4 o  108.348   7.1977  746.786   97.947  604.397  133.097  914.990  144.660   97.099   10.794  119.597   9.5247 -22.49757 14.39537 
1 1 1  -23   15    5 f   93.110   7.1538  552.362   80.058  546.494   98.226  563.973  138.175   92.502   8.3617   93.717   11.610 -1.215157 14.30770 
1 1 1  -23   15    6 o  138.308   5.3655  1205.93   88.724  1178.05  107.942  1264.01  155.779  135.982   6.2507  140.634   8.7225 -4.651871 10.73100 
1 1 1  -23   15    7 o  157.919   5.0361  1586.95   94.744  1580.09  115.377  1601.15  166.017  157.518   5.7678  158.320   8.2573 -0.8024445 10.07230 
1 1 1  -23   15    8 o  252.955   4.2487  4142.60  126.868  4263.37  154.583  3893.40  222.053  258.857   4.7024  247.053   7.0777 11.80409 8.497422 
1 1 1  -23   15    9 o  145.762   5.3856  1384.80   93.845  1446.07  116.197  1269.88  159.143  150.643   6.0739  140.882   8.8952 9.761093 10.77114 
1 1 1  -23   15   10 f  165.801   5.0573  1767.50  100.404  1794.40  123.506  1715.06  172.419  167.822   5.7951  163.779   8.2899 4.042419 10.11459 
1 1 1  -23   15   11 o  229.301   4.3680  3380.32  120.756  3444.59  149.749  3260.82  204.193  232.596   5.0697  226.007   7.1145 6.588608 8.735997 
1 1 1  -23   15   12 o  272.095   4.5279  4662.40  147.745  4544.62  180.204  4903.91  258.052  267.112   5.3124  277.077   7.3338 -9.964966 9.055748 
1 1 1  -23   15   13 o  112.154   7.8249  704.931  100.736  583.310  116.115  1075.00  202.547   95.337   9.5907  128.971   12.367 -33.63449 15.64987 
1 1 1  -23   15   14 o  340.262   5.2800  7832.29  213.954 10260.96  291.691  5003.93  314.780  401.172   5.7255  279.352   8.8732 121.8202 10.56004 
1 1 1  -23   15   15 o   52.184   12.731   88.339  106.449 -19.8518  128.134  329.340  191.240   34.998   15.275   69.369   20.370 -34.37102 25.46116 
1 1 1  -23   15   16 o   54.012   12.985  183.214  104.046  193.772  128.961  163.527  176.103   54.182   16.905   53.842   19.715 0.3398018 25.97057 
1 1 1  -23   15   17 o  177.300   5.2756  2005.05  116.552  1971.46  150.359  2055.61  184.486  175.586   6.7431  179.013   8.1152 -3.426804 10.55116 
1 1 1  -23   15   18 o   75.301   11.355  354.542  108.331  202.947  137.857  599.293  175.165   55.205   17.514   95.396   14.459 -40.19127 22.71097 
1 1 1  -23   15   19 o   84.746   12.543  502.569  129.999  481.184  194.598  519.805  174.700   82.607   18.953   86.886   16.435 -4.279518 25.08606 
1 1 1  -23   15   20 o   90.978   11.842  567.737  131.229  579.671  207.082  559.728  169.639   90.420   18.653   91.536   14.593 -1.116486 23.68369 
1 1 1  -23   15   21 o   84.710   13.382  460.875  137.577  785.178  240.075  302.298  167.877  104.735   18.738   64.685   19.111 40.04936 26.76457 
1 1 1  -23   15   22 o   40.616   12.479 -48.4113  133.706 -285.8636  208.247  118.127  174.400   33.167   16.060   48.066   19.103 -14.89850 24.95743 
1 1 1  -23   15   23 o  224.562   6.4499  3383.80  179.990  3921.72  245.893  2762.90  264.179  245.164   7.8979  203.960   10.199 41.20424 12.89980 
1 1 1  -23   15   24 o   38.636   12.522 -59.8670  138.359 -135.3048  223.031 -12.6724  176.407   38.297   17.992   38.975   17.420 -0.6777344 25.04322 
1 1 1  -23   15   25 o   38.272   12.508 -54.1063  137.997 -109.9075  237.100 -25.5201  169.702   39.521   18.562   37.023   16.769 2.498047 25.01509 
1 1 1  -23   15   26 o   55.113   22.319  260.488  242.755  260.488  242.755   0.0000   0.0000   55.113   22.319  ?   ?       ?      ? 
1 1 1  -23   17    1 o  388.473   7.9559  9656.07  392.490   0.0000   0.0000  9656.07  392.490  ?   ?   388.473   7.9559      ?      ? 
1 1 1  -23   17    2 o  307.445   7.5640  6043.38  295.324   0.0000   0.0000  6043.38  295.324  ?   ?   307.445   7.5640      ?      ? 
1 1 1  -23   17    3 o  288.883   4.9906  4974.83  175.166  4189.02  213.107  6611.51  307.555  256.186   6.5504  321.579   7.5311 -65.39322 9.981192 
1 1 1  -23   17    4 f  391.951   4.9650  9892.84  235.094 10079.16  292.209  9550.90  395.852  397.603   5.7872  386.299   8.0692 11.30371 9.929939 
1 1 1  -23   17    5 o  314.913   7.7413  6343.96  309.588   0.0000   0.0000  6343.96  309.588  ?   ?   314.913   7.7413      ?      ? 
1 1 1  -23   17    6 o  192.301   9.4056  2374.56  229.690   0.0000   0.0000  2374.56  229.690  ?   ?   192.301   9.4056      ?      ? 
1 1 1  -23   17    7 o  122.006   7.4251  904.554  104.112  838.251  121.491  1087.85  202.003  114.380   8.3640  129.631   12.271 -15.25087 14.85017 
1 1 1  -23   17    8 o   34.001   10.898 -57.3239   94.479 -31.7530  112.017 -120.3512  175.863   31.811   14.068   36.190   16.647 -4.378595 21.79562 
1 1 1  -23   17    9 o  195.692   5.0990  2424.67  119.941  2375.48  146.825  2523.34  207.947  192.950   5.9921  198.434   8.2520 -5.483490 10.19807 
1 1 1  -23   17   10 o   76.492   10.716  374.290   94.938  334.610  114.336  462.390  170.368   70.654   13.229   82.330   16.862 -11.67652 21.43225 
1 1 1  -23   17   11 o  181.515   5.3091  2142.63  115.119  2212.16  141.978  2009.18  196.685  186.154   6.0058  176.876   8.7564 9.277481 10.61811 
1 1 1  -23   17   12 o  107.807   7.6366  736.169  100.179  699.694  123.647  805.854  170.908  104.249   9.3397  111.364   12.085 -7.114304 15.27330 
1 1 1  -23   17   13 o   47.072   12.764  110.133  105.021  126.119  131.338   81.788  174.887   46.993   17.054   47.150   18.996 -0.1561852 25.52816 
1 1 1  -23   17   14 o  148.475   6.4823  1419.38  117.594  1411.12  147.320  1433.88  195.223  148.202   7.8276  148.748   10.335 -0.5453949 12.96454 
1 1 1  -23   17   15 o   40.547   11.455 -60.4426  101.046 -212.9765  127.293  199.422  166.148   25.456   12.380   55.639   19.278 -30.18322 22.91069 
1 1 1  -23   17   16 o  104.520   9.0885  755.053  113.299  848.202  144.111  604.297  183.336  114.182   9.9385   94.858   15.219 19.32443 18.17696 
1 1 1  -23   17   17 o   54.269   12.624  151.244  125.068 -101.6680  183.798  369.333  170.676   37.098   17.048   71.440   18.622 -34.34257 25.24717 
1 1 1  -23   17   18 o   45.475   13.438   61.767  132.264 -45.8750  216.558  125.809  167.038   42.618   19.156   48.333   18.852 -5.715111 26.87596 
1 1 1  -23   17   19 o   25.924   9.2736 -579.8424  139.228 -549.6578  175.559 -631.0040  228.561   23.769   12.014   28.078   14.130 -4.308449 18.54713 
1 1 1  -23   17   20 o   35.161   11.509 -266.9904  142.655   63.118  187.444 -721.3738  219.915   44.551   18.946   25.770   13.071 18.78089 23.01763 
1 1 1  -23   17   21 o   53.119   14.162  199.256  137.644   72.092  219.866  281.217  176.514   46.575   20.171   59.663   19.885 -13.08842 28.32394 
1 1 1  -23   17   22 o   54.379   14.231  188.737  133.923  392.881  218.312   65.561  169.579   66.834   22.106   41.923   17.929 24.91021 28.46280 
1 1 1  -23   17   23 o   50.933   14.494  185.154  137.846  271.976  234.727  139.449  170.306   55.953   22.186   45.912   18.658 10.04088 28.98890 
1 1 1  -23   19    1 o  143.690   6.9509  1292.23  113.417  1240.52  132.213  1436.30  220.685  138.998   7.4901  148.383   11.711 -9.384644 13.90181 
1 1 1  -23   19    2 o  113.296   8.6334  808.411  112.065  769.948  131.233  911.988  215.356  109.151   9.4676  117.440   14.440 -8.288948 17.26685 
1 1 1  -23   19    3 o  243.434   4.9881  3792.71  138.775  3783.21  163.773  3816.89  261.340  243.415   5.2981  243.454   8.4530 -0.3884888E-01 9.976114 
1 1 1  -23   19    4 o   69.059   12.771  336.848  106.573  347.455  125.873  309.994  200.282   71.344   14.390   66.774   21.102 4.569725 25.54106 
1 1 1  -23   19    5 o  194.417   5.0805  2401.03  118.172  2353.57  144.015  2498.86  206.752  191.836   5.9115  196.997   8.2644 -5.160660 10.16104 
1 1 1  -23   19    6 o  124.487   7.1847  1074.36  103.659  1218.54  128.967  811.210  174.232  137.735   7.3732  111.240   12.334 26.49498 14.36949 
1 1 1  -23   19    7 o   93.994   10.429  625.199  106.557  665.291  126.940  529.553  196.066  101.266   9.8709   86.722   18.374 14.54327 20.85780 
1 1 1  -23   19    8 o   75.164   12.088  399.306  107.301  415.603  128.239  361.259  195.943   79.402   12.718   70.925   20.560 8.477081 24.17529 
1 1 1  -23   19    9 o   90.398   11.151  593.129  110.780  642.324  132.686  479.932  201.272   99.203   10.532   81.594   19.657 17.60900 22.30112 
1 1 1  -23   19   10 o  182.495   5.4657  2093.88  119.981  1984.53  146.046  2320.89  210.430  175.768   6.5429  189.221   8.7571 -13.45270 10.93146 
1 1 1  -23   19   11 o   60.293   12.825  258.476  103.774  263.627  128.977  249.021  174.755   60.970   16.330   59.615   19.781 1.354782 25.65100 
1 1 1  -23   19   12 o   55.862   12.855  223.932  106.231  265.265  131.088  144.864  181.310   60.881   16.530   50.842   19.693 10.03875 25.71088 
1 1 1  -23   19   13 o   88.389   10.074  514.156  107.781  388.216  137.638  713.818  173.303   74.029   15.151  102.748   13.282 -28.71897 20.14829 
1 1 1  -23   19   14 o   50.301   13.641   63.592  137.168 -125.2054  179.033  331.928  213.441   34.930   16.317   65.673   21.865 -30.74376 27.28178 
1 1 1  -23   19   15 o  121.377   13.042  1315.18  176.381  2146.45  238.158  305.349  262.494  179.446   10.451   63.308   23.900 116.1377 26.08466 
1 1 1  -23   19   16 o   79.247   13.809  482.133  137.860  596.908  211.064  396.732  182.062   87.557   19.484   70.938   19.572 16.61920 27.61711 
1 1 1  -23   19   17 o   63.664   12.073  297.253  134.210 -77.4874  201.362  596.789  180.027   38.112   17.631   89.216   16.497 -51.10459 24.14608 
1 1 1  -23   19   18 o   40.310   12.766  -9.3578  139.814 -143.4723  217.087   85.702  182.766   36.662   17.383   43.957   18.701 -7.295139 25.53214 
1 1 1  -23   19   19 o   80.882   13.720  557.259  140.643  459.241  205.014  644.397  193.301   71.805   21.092   89.959   17.551 -18.15370 27.43929 
1 1 1  -23   21    1 o   85.765   27.921  667.859  348.786   0.0000   0.0000  667.859  348.786  ?   ?    85.765   27.921      ?      ? 
1 1 1  -23   21    2 o  180.815   15.838  2312.02  363.670   0.0000   0.0000  2312.02  363.670  ?   ?   180.815   15.838      ?      ? 
1 1 1  -23   21    3 o  112.726   22.791  1013.85  315.045   0.0000   0.0000  1013.85  315.045  ?   ?   112.726   22.791      ?      ? 
1 1 1  -23   21    4 o   38.707   18.342 -189.7201  241.004   0.0000   0.0000 -189.7201  241.004  ?   ?    38.707   18.342      ?      ? 
1 1 1  -23   21    5 o   33.715   16.647 -456.7818  258.750   0.0000   0.0000 -456.7818  258.750  ?   ?    33.715   16.647      ?      ? 
1 1 1  -23   21    6 o   35.523   11.853 -282.9235  117.580 -415.6330  136.215  105.009  232.891   21.187   10.693   49.859   21.158 -28.67245 23.70644 
1 1 1  -23   21    7 o   70.784   10.693  149.316  114.884 -100.7252  132.708  897.147  229.504   29.873   13.985  111.695   16.180 -81.82233 21.38606 
1 1 1  -23   21    8 o  144.309   7.5442  1371.41  130.574  1309.93  158.977  1498.87  228.903  140.702   8.8972  147.915   12.186 -7.212372 15.08842 
1 1 1  -23   21    9 o   51.333   12.916  184.955   99.452  173.096  118.332  213.479  183.526   48.795   16.282   53.871   20.055 -5.075787 25.83173 
1 1 1  -23   21   10 o   41.533   12.076   84.958   98.462  108.145  116.060   25.410  185.990   41.708   15.856   41.358   18.217 0.3502808 24.15145 
1 1 1  -23   21   11 o   56.599   14.512  235.040  139.350  386.123  211.669  119.471  185.128   66.796   21.752   46.402   19.217 20.39341 29.02477 
1 1 1  -23   21   12 o   38.391   12.386 -36.5280  136.341 -145.7515  216.518   35.238  175.507   36.391   17.285   40.391   17.746 -4.000305 24.77290 
1 1 1  -23   21   13 o   67.381   14.299  405.618  137.395  301.082  211.014  482.555  181.027   58.413   21.552   76.349   18.797 -17.93564 28.59700 
1 1 1  -22    0    1 o  1187.57   9.3100 89668.59  1985.10 89668.59  1985.10 89668.59  1985.10  1187.57   13.166  1187.57   13.166 -0.000000 0.000000 
1 1 1  -22    0    2 o  121.814   3.6504  947.410   79.534  947.410   79.534  947.410   79.534  121.814   5.1624  121.814   5.1624 -0.000000 0.000000 
1 1 1  -22    0    3 o  134.840   3.4457  1159.15   83.195  1159.15   83.195  1159.15   83.195  134.840   4.8729  134.840   4.8729 -0.000000 0.000000 
1 1 1  -22    0    5 o  293.127   3.2943  5460.57  173.324  5460.57  173.324  5460.57  173.324  293.127   4.6588  293.127   4.6588 -0.000000 0.000000 
1 1 1  -22    0    6 o  826.114   6.6348 43370.98  984.096 43370.98  984.096 43370.98  984.096  826.114   9.3831  826.114   9.3831 -0.000000 0.000000 
1 1 1  -22    0    8 o  168.228   4.1620  1803.88  125.397  1803.88  125.397  1803.88  125.397  168.228   5.8860  168.228   5.8860 -0.000000 0.000000 
1 1 1  -22    0    9 o  289.509   3.6725  5327.76  190.809  5327.76  190.809  5327.76  190.809  289.509   5.1937  289.509   5.1937 -0.000000 0.000000 
1 1 1  -22    0   10 o   79.214   9.7801  433.347  126.438  433.347  126.438  433.347  126.438   79.214   13.831   79.214   13.831 -0.000000 0.000000 
1 1 1  -22    0   11 o  416.299   4.2095 11012.65  314.580 11012.65  314.580 11012.65  314.580  416.299   5.9532  416.299   5.9532 -0.000000 0.000000 
1 1 1  -22    0   12 o  294.926   4.5403  5531.86  240.227  5531.86  240.227  5531.86  240.227  294.926   6.4209  294.926   6.4209 -0.000000 0.000000 
1 1 1  -22    0   14 o  621.711   5.4948 24561.43  613.315 24561.43  613.315 24561.43  613.315  621.711   7.7709  621.711   7.7709 -0.000000 0.000000 
1 1 1  -22    0   15 o   27.497   12.863 -41.2205  165.846 -41.2205  165.846 -41.2205  165.846   27.497   18.191   27.497   18.191 -0.000000 0.000000 
1 1 1  -22    0   16 o  364.157   4.5206  8430.12  295.444  8430.12  295.444  8430.12  295.444  364.157   6.3931  364.157   6.3931 -0.000000 0.000000 
1 1 1  -22    0   17 o  162.887   6.9091  1704.21  200.452  1704.21  200.452  1704.21  200.452  162.887   9.7710  162.887   9.7710 -0.000000 0.000000 
1 1 1  -22    0   18 f  267.979   4.9010  4572.11  235.516  4572.11  235.516  4572.11  235.516  267.979   6.9310  267.979   6.9310 -0.000000 0.000000 
1 1 1  -22    0   19 o   82.775   14.597  511.130  187.754  511.130  187.754  511.130  187.754   82.775   20.644   82.775   20.644 -0.000000 0.000000 
1 1 1  -22    0   20 o  307.514   4.9411  6020.90  272.567  6020.90  272.567  6020.90  272.567  307.514   6.9878  307.514   6.9878 -0.000000 0.000000 
1 1 1  -22    0   21 o   37.184   15.684   95.628  184.729   95.628  184.729   95.628  184.729   37.184   22.180   37.184   22.180 -0.000000 0.000000 
1 1 1  -22    0   22 o  153.176   4.7608  1500.53  130.393  1500.53  130.393  1500.53  130.393  153.176   6.7328  153.176   6.7328 -0.000000 0.000000 
1 1 1  -22    0   23 o  221.692   4.0620  3130.61  161.483  3130.61  161.483  3130.61  161.483  221.692   5.7446  221.692   5.7446 -0.000000 0.000000 
1 1 1  -22    0   24 o  208.548   4.2991  2772.84  160.710  2772.84  160.710  2772.84  160.710  208.548   6.0799  208.548   6.0799 -0.000000 0.000000 
1 1 1  -22    0   25 o   33.342   13.549   91.558  129.558   91.558  129.558   91.558  129.558   33.342   19.161   33.342   19.161 -0.000000 0.000000 
1 1 1  -22    0   26 o  108.021   6.7538  761.780  128.667  761.780  128.667  761.780  128.667  108.021   9.5514  108.021   9.5514 -0.000000 0.000000 
1 1 1  -22    0   28 o   51.117   15.384  241.347  143.599  241.347  143.599  241.347  143.599   51.117   21.757   51.117   21.757 -0.000000 0.000000 
1 1 1  -22    0   29 o   35.612   14.332  110.857  142.995  110.857  142.995  110.857  142.995   35.612   20.269   35.612   20.269 -0.000000 0.000000 
1 1 1  -22    0   30 o   27.186   12.591 -13.0805  152.879 -13.0805  152.879 -13.0805  152.879   27.186   17.806   27.186   17.806 -0.000000 0.000000 
1 1 1  -22    0   31 o   16.285   8.3822 -304.4437  141.191 -304.4437  141.191 -304.4437  141.191   16.285   11.854   16.285   11.854 -0.000000 0.000000 
1 1 1  -22    0   32 o  ?   ?  -594.1964  147.137 -594.1964  147.137 -594.1964  147.137  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -22    0   33 o   41.264   15.212  180.551  147.221  180.551  147.221  180.551  147.221   41.264   21.514   41.264   21.514 -0.000000 0.000000 
1 1 1  -22    0   34 o   40.522   15.339  181.940  152.893  181.940  152.893  181.940  152.893   40.522   21.693   40.522   21.693 -0.000000 0.000000 
1 1 1  -22    2    1 o  411.560   4.5969 10789.96  226.667 10669.27  390.941 10851.08  278.201  409.790   7.5123  413.330   5.3001 -3.540131 9.193773 
1 1 1  -22    2    2 o  968.819   7.6682 59671.54  943.408 60010.05  1340.83 59339.66  1327.63  971.537   10.868  966.101   10.821 5.436646 15.33641 
1 1 1  -22    2    3 o  371.744   3.5517  8776.67  167.664  8881.90  238.046  8673.07  236.189  373.955   5.0126  369.533   5.0330 4.422607 7.103351 
1 1 1  -22    2    4 o   88.450   5.3603  493.164   59.950  437.992   81.033  559.872   89.104   83.027   7.6854   93.873   7.4744 -10.84542 10.72064 
1 1 1  -22    2    5 o  542.275   4.6372 18680.34  319.328 18676.16  449.468 18684.60  453.758  542.215   6.5275  542.335   6.5884 -0.1201782 9.274453 
1 1 1  -22    2    6 o  544.474   4.6898 18828.26  324.157 18689.10  451.804 18975.90  465.352  542.404   6.5592  546.544   6.7047 -4.140503 9.379533 
1 1 1  -22    2    7 o  206.775   3.6443  2716.86   95.618  2845.59  135.347  2588.60  135.100  211.668   5.0352  201.882   5.2697 9.786652 7.288510 
1 1 1  -22    2    8 f  507.093   6.3062 16333.93  406.099 16333.93  406.099   0.0000   0.0000  507.093   6.3062  ?   ?       ?      ? 
1 1 1  -22    2    9 o  179.509   4.1247  2043.20   93.875  1989.16  128.486  2105.08  137.490  176.969   5.7172  182.050   5.9471 -5.081223 8.249456 
1 1 1  -22    2   10 o  133.169   5.6287  1125.40   95.132  1090.32  131.781  1163.58  137.475  131.004   7.9212  135.333   7.9991 -4.328903 11.25745 
1 1 1  -22    2   11 o  412.727   4.4288 10814.42  231.988 10667.50  321.660 10973.69  334.903  409.809   6.1807  415.645   6.3448 -5.835907 8.857618 
1 1 1  -22    2   12 o   31.674   15.129 -233.3409  170.674 -233.3409  170.674   0.0000   0.0000   31.674   15.129  ?   ?       ?      ? 
1 1 1  -22    2   13 o  424.855   4.6691 11451.46  251.615 11187.12  345.969 11748.26  366.600  419.660   6.4918  430.050   6.7127 -10.39026 9.338253 
1 1 1  -22    2   14 o  351.309   6.1963  7839.52  276.438  7839.52  276.438   0.0000   0.0000  351.309   6.1963  ?   ?       ?      ? 
1 1 1  -22    2   15 o  634.534   5.5670 25571.20  448.492 26266.71  641.925 24907.94  626.870  642.961   7.8618  626.109   7.8841 16.85211 11.13403 
1 1 1  -22    2   16 o  331.207   4.4781  6956.03  188.002  6768.81  256.791  7172.30  275.996  326.416   6.1948  335.997   6.4683 -9.580261 8.956279 
1 1 1  -22    2   17 o  222.227   5.0987  3130.55  143.677  3299.72  210.275  2982.40  196.777  227.841   7.2674  216.613   7.1534 11.22829 10.19734 
1 1 1  -22    2   18 o  155.197   6.8419  1525.50  134.472  1664.55  199.042  1408.75  182.391  161.667   9.6950  148.728   9.6568 12.93816 13.68381 
1 1 1  -22    2   19 o  117.322   7.5901  837.960  101.377  791.274  117.911  970.297  198.518  111.462   8.3300  123.182   12.690 -11.71938 15.18013 
1 1 1  -22    2   20 o  292.875   4.6278  5368.46  157.917  5238.12  187.831  5682.74  291.661  287.029   5.1530  298.721   7.6884 -11.69159 9.255533 
1 1 1  -22    2   21 o  185.152   5.7873  2263.44  118.142  2350.55  138.047  2025.04  228.384  192.230   5.6550  178.074   10.099 14.15552 11.57466 
1 1 1  -22    2   22 o  147.301   6.4102  1412.51  107.265  1448.62  127.003  1322.66  200.337  150.830   6.6305  143.771   10.973 7.058823 12.82038 
1 1 1  -22    2   23 o  106.304   9.1356  717.516  111.256  706.088  131.089  746.945  210.366  105.080   9.8235  107.527   15.406 -2.446678 18.27115 
1 1 1  -22    2   24 o  309.333   3.9096  6079.66  152.875  6212.49  228.470  5971.98  205.712  312.352   5.7598  306.314   5.2883 6.037872 7.819292 
1 1 1  -22    2   25 o   78.722   9.6537  410.580   93.469  372.819  137.398  443.108  127.524   74.515   15.038   82.928   12.109 -8.412689 19.30740 
1 1 1  -22    2   26 o   21.883   7.7240 -329.0825   87.540 -385.8445  124.955 -274.3700  122.678   20.714   10.428   23.053   11.398 -2.338358 15.44800 
1 1 1  -22    2   27 o  145.758   6.4660  1381.48  118.070  1201.75  173.836  1535.40  160.869  136.685   10.015  154.830   8.1816 -18.14539 12.93191 
1 1 1  -22    2   28 o  139.073   6.0726  1230.53  106.775  1384.33  159.774  1106.42  143.533  146.860   8.5669  131.286   8.6091 15.57344 12.14528 
1 1 1  -22    2   29 o  162.240   5.8886  1708.86  118.468  1612.63  185.985  1774.57  153.678  158.117   9.2624  166.364   7.2740 -8.247269 11.77722 
1 1 1  -22    2   30 o   60.475   13.200  254.775  110.752  245.723  172.367  261.139  144.536   59.896   19.635   61.053   17.646 -1.156742 26.39916 
1 1 1  -22    2   31 f   39.623   11.970   22.373  106.551   1.3262  160.040   39.129  142.801   39.350   17.125   39.896   16.728 -0.5458298 23.93978 
1 1 1  -22    2   32 o  208.344   4.8407  2786.75  127.377  3060.63  192.853  2574.82  169.646  217.253   6.9901  199.436   6.6983 17.81689 9.681327 
1 1 1  -22    2   33 o   41.183   12.030   55.491  107.729 -41.8583  154.406  147.829  150.378   35.070   15.928   47.296   18.033 -12.22654 24.06001 
1 1 1  -22    2   34 o   38.942   12.009   36.233  113.124 -13.5281  168.070   77.449  152.959   36.954   16.718   40.930   17.245 -3.975689 24.01824 
1 1 1  -22    4    1 o  102.465   4.5453  667.002   58.952  667.920   80.236  665.926   86.905  102.543   6.1615  102.386   6.6838 0.1566010 9.090533 
1 1 1  -22    4    2 o  293.565   4.7785  5473.39  178.143   0.0000   0.0000  5473.39  178.143  ?   ?   293.565   4.7785      ?      ? 
1 1 1  -22    4    3 o  834.911   6.7008 44301.03  710.444 44202.57  999.915 44401.40  1009.59  833.977   9.4413  835.844   9.5114 -1.867981 13.40166 
1 1 1  -22    4    5 o  534.164   6.4794 18124.91  439.530 18124.91  439.530   0.0000   0.0000  534.164   6.4794  ?   ?       ?      ? 
1 1 1  -22    4    6 o  170.584   3.8105  1841.08   82.263  1767.93  111.003  1930.20  122.524  166.841   5.2391  174.327   5.5345 -7.485992 7.620912 
1 1 1  -22    4    7 o  323.052   3.6275  6638.77  148.448  6800.48  204.370  6458.15  215.986  327.226   4.9180  318.877   5.3337 8.348572 7.255007 
1 1 1  -22    4    8 o  283.473   5.1700  5103.57  186.115  5103.57  186.115   0.0000   0.0000  283.473   5.1700  ?   ?       ?      ? 
1 1 1  -22    4   11 o  695.474   5.9210 30634.52  521.443 29531.14  706.329 31956.16  773.042  681.765   8.1582  709.183   8.5836 -27.41730 11.84203 
1 1 1  -22    4   12 o   61.398   13.939  235.213  123.666  191.744  190.068  267.125  162.850   58.592   20.601   64.205   18.781 -5.612881 27.87733 
1 1 1  -22    4   13 o  580.677   5.2893 21376.38  388.910 20859.20  527.542 21992.08  575.598  573.010   7.2497  588.345   7.7039 -15.33490 10.57862 
1 1 1  -22    4   14 o  304.582   4.4590  5888.66  172.339  5787.79  238.292  5999.29  249.544  301.851   6.2164  307.313   6.3942 -5.461731 8.917962 
1 1 1  -22    4   15 o  351.058   4.3095  7766.73  173.695  7684.65  205.081  7975.02  326.705  347.839   4.6427  354.278   7.2616 -6.439301 8.618916 
1 1 1  -22    4   16 o  271.584   4.2779  4746.99  136.124  4847.44  164.445  4528.34  242.620  276.244   4.6876  266.924   7.1575 9.319794 8.555901 
1 1 1  -22    4   17 o  182.798   5.0865  2105.49  114.155  2051.23  143.214  2200.02  189.041  179.631   6.2781  185.965   8.0048 -6.333771 10.17303 
1 1 1  -22    4   18 o   44.819   12.048   93.362   90.352  105.111  108.472   66.740  163.281   43.665   15.541   45.974   18.414 -2.309303 24.09544 
1 1 1  -22    4   19 f   52.598   12.283  147.804   91.676  100.991  111.205  247.105  161.965   43.444   15.703   61.753   18.892 -18.30910 24.56648 
1 1 1  -22    4   20 o   69.164   11.131  308.387   89.497  291.432  106.891  348.141  163.675   66.300   13.160   72.028   17.957 -5.727905 22.26256 
1 1 1  -22    4   21 o   96.393   8.7101  600.853  100.373  611.919  123.409  579.226  172.523   97.872   9.9291   94.913   14.313 2.958656 17.42011 
1 1 1  -22    4   22 o   88.050   9.9220  480.207  106.197  438.475  130.068  563.656  183.927   82.659   12.391   93.440   15.500 -10.78094 19.84407 
1 1 1  -22    4   23 o  100.564   9.7364  689.955  112.912  762.330  141.906  565.063  186.413  109.115   10.241   92.013   16.562 17.10249 19.47274 
1 1 1  -22    4   24 o  107.404   8.9242  761.809  111.963  793.595  135.859  694.521  197.667  111.315   9.6108  103.493   15.040 7.821861 17.84842 
1 1 1  -22    4   25 o  102.957   8.5311  669.950  108.063  631.352  135.208  738.206  179.798   99.099   10.744  106.815   13.255 -7.715691 17.06218 
1 1 1  -22    4   26 o  336.961   6.0446  7241.37  258.657  7241.37  258.657   0.0000   0.0000  336.961   6.0446  ?   ?       ?      ? 
1 1 1  -22    4   27 f   57.415   12.471  216.221  101.154  163.593  140.513  272.835  145.738   51.586   17.737   63.244   17.535 -11.65794 24.94147 
1 1 1  -22    4   28 o  129.312   7.1499  1067.44  116.757  1222.45  175.821  945.160  156.162  137.628   10.060  120.996   10.163 16.63185 14.29982 
1 1 1  -22    4   29 o   60.200   13.535  236.086  115.542  313.471  182.347  184.173  149.350   66.865   19.956   53.536   18.290 13.32854 27.06953 
1 1 1  -22    4   30 o  122.389   7.4304  984.727  113.264  951.850  176.575  1007.71  147.640  120.268   11.561  124.509   9.3374 -4.240852 14.86086 
1 1 1  -22    4   31 o   66.377   12.356  308.143  104.567  409.348  167.583  243.617  133.812   74.681   17.903   58.072   17.035 16.60885 24.71268 
1 1 1  -22    4   32 o  ?   ?  -766.3401  112.159 -1098.1219  176.642 -542.2237  145.180  ?   ?   ?   ?       ?      ? 
1 1 1  -22    4   33 o   54.401   12.866  232.356  109.865  140.742  168.086  300.688  145.166   47.051   18.737   61.751   17.636 -14.69930 25.73168 
1 1 1  -22    4   34 o   58.010   24.184  322.097  295.951  322.097  295.951   0.0000   0.0000   58.010   24.184  ?   ?       ?      ? 
1 1 1  -22    6    1 o  903.284   7.2310 51834.87  829.278 52790.32  1188.38 50927.98  1157.78  911.391   10.268  895.177   10.184 16.21375 14.46196 
1 1 1  -22    6    2 o  518.513   4.5850 17078.60  301.861 17445.38  427.390 16713.52  426.403  524.070   6.4218  512.955   6.5458 11.11414 9.169902 
1 1 1  -22    6    3 o  800.468   6.5100 40711.29  661.648 40528.84  926.038 40901.56  945.694  798.640   9.1306  802.295   9.2819 -3.654419 13.02009 
1 1 1  -22    6    4 o  774.295   6.3243 38083.31  621.630 37703.14  865.565 38488.27  893.329  770.311   8.8482  778.278   9.0385 -7.967529 12.64857 
1 1 1  -22    6    5 o  599.454   5.1718 22817.39  393.382 22581.02  544.121 23076.23  569.392  596.208   7.1865  602.700   7.4393 -6.492188 10.34358 
1 1 1  -22    6    7 o  318.442   4.1759  6435.79  167.349  6403.26  221.965  6478.62  254.741  317.517   5.5048  319.367   6.2810 -1.849762 8.351885 
1 1 1  -22    6    8 o  566.645   5.1723 20299.82  370.239 19505.95  494.875 21309.07  557.982  554.132   7.0324  579.157   7.5866 -25.02490 10.34462 
1 1 1  -22    6   10 o  246.265   4.4984  3855.50  140.518  3645.01  198.874  4065.35  198.571  239.545   6.5375  252.986   6.1808 -13.44072 8.996730 
1 1 1  -22    6   11 o  895.867   8.2841 50920.26  818.025 50809.29  945.203 51251.41  1632.80  894.229   8.3234  897.506   14.326 -3.277771 16.56818 
1 1 1  -22    6   12 o  357.881   4.2696  8328.17  178.249  8647.19  215.627  7639.65  316.771  368.990   4.6016  346.772   7.1932 22.21854 8.539176 
1 1 1  -22    6   13 o  317.990   4.5626  6461.26  182.977  6831.58  249.270  6028.58  269.443  327.939   5.9855  308.041   6.8878 19.89743 9.125119 
1 1 1  -22    6   14 o  302.070   4.2233  5918.92  150.167  6137.94  182.903  5465.93  263.038  310.859   4.6332  293.282   7.0625 17.57693 8.446582 
1 1 1  -22    6   15 o  312.629   4.1575  6269.44  152.229  6365.04  183.558  6058.86  272.434  316.533   4.5664  308.725   6.9488 7.807587 8.314956 
1 1 1  -22    6   16 o  328.282   4.2592  7010.23  164.656  7300.02  200.880  6416.87  287.441  338.942   4.6669  317.621   7.1263 21.32101 8.518453 
1 1 1  -22    6   17 o  333.071   4.3018  6924.65  165.110  6751.47  194.793  7366.60  311.173  325.921   4.7063  340.221   7.2022 -14.30026 8.603539 
1 1 1  -22    6   18 o  129.676   6.0804  1069.27   96.290  1062.99  120.478  1080.37  160.212  129.215   7.3421  130.138   9.6942 -0.9236908 12.16072 
1 1 1  -22    6   19 o   98.110   8.0081  671.284   90.600  805.365  114.871  450.595  147.372  112.422   8.0460   83.799   13.848 28.62263 16.01616 
1 1 1  -22    6   20 o  257.452   4.3742  4233.05  136.333  4266.90  169.331  4170.68  229.861  259.014   5.1480  255.890   7.0735 3.124359 8.748490 
1 1 1  -22    6   21 o  178.502   5.2136  2045.72  115.297  2102.37  148.775  1960.54  182.433  181.698   6.4477  175.306   8.1947 6.391968 10.42712 
1 1 1  -22    6   22 o   65.190   12.109  286.910  100.966  295.953  133.301  274.741  154.637   66.300   16.013   64.080   18.168 2.219696 24.21731 
1 1 1  -22    6   23 o  114.339   7.5063  822.880  107.686  740.928  139.710  942.835  169.027  107.500   10.234  121.177   10.984 -13.67702 15.01261 
1 1 1  -22    6   24 o   94.852   9.1974  574.627  108.478  548.885  138.577  615.363  174.324   92.288   11.824   97.416   14.091 -5.128113 18.39488 
1 1 1  -22    6   25 o  226.922   6.7441  3149.05  181.378  1830.47  232.379  5204.70  290.147  168.620   10.852  285.224   8.0104 -116.6034 13.48822 
1 1 1  -22    6   26 o   71.302   13.993  295.817  128.818  183.174  155.501  542.200  229.979   54.373   18.661   88.230   20.855 -33.85744 27.98503 
1 1 1  -22    6   27 f   34.948   11.382 -145.3877  120.390 -33.0434  170.347 -257.4954  170.168   39.624   17.445   30.271   14.624 9.353622 22.76353 
1 1 1  -22    6   28 o   70.356   11.760  380.712  102.770  198.981  189.512  456.418  122.317   56.996   20.514   83.716   11.505 -26.72062 23.52027 
1 1 1  -22    6   29 o   79.616   11.371  414.339  107.124  551.802  184.060  343.925  131.733   88.857   16.930   70.375   15.186 18.48142 22.74237 
1 1 1  -22    6   30 o   45.424   12.583   41.724  107.303  236.742  186.288 -55.1046  131.266   58.336   20.402   32.512   14.735 25.82441 25.16655 
1 1 1  -22    6   31 o  269.738   6.0581  4695.41  207.520   0.0000   0.0000  4695.41  207.520  ?   ?   269.738   6.0581      ?      ? 
1 1 1  -22    6   32 o   28.819   13.762 -147.4166  141.091   0.0000   0.0000 -147.4166  141.091  ?   ?    28.819   13.762      ?      ? 
1 1 1  -22    6   33 o   41.753   16.973  100.486  140.992   0.0000   0.0000  100.486  140.992  ?   ?    41.753   16.973      ?      ? 
1 1 1  -22    8    1 o  639.333   5.4937 25968.22  445.889 26866.79  633.520 25086.13  627.684  650.298   7.6713  628.369   7.8659 21.92841 10.98734 
1 1 1  -22    8    2 o  517.848   4.7929 17028.18  314.204 16950.03  427.263 17120.20  463.668  516.563   6.5132  519.132   7.0332 -2.569031 9.585794 
1 1 1  -22    8    3 o  253.699   4.0708  4070.81  130.628  3907.40  175.669  4272.94  195.371  248.031   5.5771  259.368   5.9315 -11.33755 8.141701 
1 1 1  -22    8    4 o  692.359   7.0061 30493.29  584.646 30552.64  721.403 30379.72  997.968  693.444   8.1920  691.274   11.368 2.170166 14.01224 
1 1 1  -22    8    5 o  686.281   6.5318 29799.33  492.580 29670.37  567.961 30190.71  989.468  683.438   6.5440  689.125   11.306 -5.687439 13.06366 
1 1 1  -22    8    6 o  202.060   4.0958  2565.94   96.863  2524.05  115.816  2663.44  176.696  199.357   4.5747  204.762   6.7951 -5.405640 8.191551 
1 1 1  -22    8    7 o  450.858   4.7834 12994.60  243.691 13093.35  286.132 12733.81  464.996  454.044   4.9624  447.672   8.1792 6.371765 9.566848 
1 1 1  -22    8    8 o  523.580   5.2782 17539.75  310.952 17684.62  364.266 17150.65  596.991  527.664   5.4361  519.495   9.0492 8.168518 10.55643 
1 1 1  -22    8    9 o  398.090   4.4579  9889.43  198.430  9699.33  230.071 10441.49  392.069  390.792   4.6360  405.387   7.6158 -14.59448 8.915848 
1 1 1  -22    8   10 o  706.385   6.7204 31429.76  520.984 31149.64  599.671 32291.99  1052.08  700.217   6.7438  712.553   11.627 -12.33582 13.44086 
1 1 1  -22    8   11 o  428.557   4.6669 11677.62  226.687 11687.90  266.205 11650.51  432.384  428.962   4.8868  428.152   7.9523 0.8100891 9.333802 
1 1 1  -22    8   12 o  114.485   7.1453  833.053  103.883  833.053  103.883   0.0000   0.0000  114.485   7.1453  ?   ?       ?      ? 
1 1 1  -22    8   13 o   76.111   9.5397  401.645   82.923  451.210  102.516  307.838  141.033   84.192   9.5883   68.030   16.495 16.16190 19.07945 
1 1 1  -22    8   14 o  293.842   4.0661  5621.32  141.730  5884.88  174.293  5106.86  243.510  304.323   4.5099  283.362   6.7670 20.96085 8.132152 
1 1 1  -22    8   15 o  144.096   5.1973  1308.34   92.749  1264.32  117.801  1380.13  150.437  140.973   6.5802  147.218   8.0467 -6.244644 10.39461 
1 1 1  -22    8   16 o  158.428   4.8290  1578.20   94.809  1514.06  120.389  1682.93  153.839  154.275   6.1449  162.581   7.4511 -8.305771 9.658053 
1 1 1  -22    8   17 o   65.178   10.270  281.386   82.061  270.228  107.816  296.752  126.520   63.714   13.730   66.642   15.276 -2.927914 20.53944 
1 1 1  -22    8   18 o  193.767   4.4449  2366.86  105.601  2304.91  132.225  2475.98  175.476  190.355   5.4698  197.179   7.0078 -6.824493 8.889736 
1 1 1  -22    8   19 o  173.062   4.9435  1956.31  104.273  2107.03  133.286  1718.54  167.409  181.962   5.7680  164.162   8.0302 17.79921 9.887096 
1 1 1  -22    8   20 o  138.002   6.0768  1229.10  102.967  1270.90  131.212  1162.10  166.124  141.193   7.3178  134.811   9.7035 6.382813 12.15355 
1 1 1  -22    8   21 o   83.350   10.272  487.634   99.775  578.787  128.238  347.811  158.826   95.017   10.628   71.683   17.581 23.33456 20.54360 
1 1 1  -22    8   22 o  129.878   6.8150  1102.27  108.534  1175.11  139.444  990.326  172.863  135.603   8.0976  124.154   10.964 11.44910 13.63003 
1 1 1  -22    8   23 o   73.381   12.084  276.002  105.275  154.374  121.759  636.179  209.529   49.689   16.513   97.073   17.647 -47.38422 24.16780 
1 1 1  -22    8   24 f  424.959   5.5895 11598.25  281.320 11676.11  341.780 11434.69  495.376  427.775   6.2915  422.142   9.2406 5.632782 11.17903 
1 1 1  -22    8   25 o   95.137   10.977  569.523  126.498  454.305  158.861  769.167  209.114   81.915   15.844  108.358   15.197 -26.44324 21.95393 
1 1 1  -22    8   26 o   85.429   12.827  492.448  132.792  440.580  170.590  572.209  211.543   79.999   17.296   90.859   18.947 -10.86088 25.65417 
1 1 1  -22    8   27 o   78.638   12.496  457.092  131.417  667.978  175.562  188.335  198.193  100.703   13.728   56.572   20.884 44.13065 24.99197 
1 1 1  -22    8   28 o   67.907   13.747  332.341  131.086  448.454  179.798  200.588  191.525   79.324   18.231   56.490   20.579 22.83450 27.49312 
1 1 1  -22    8   29 o   32.731   11.043 -221.2462  130.965 -114.8592  174.745 -357.5833  197.819   35.200   16.334   30.263   14.867 4.937149 22.08687 
1 1 1  -22    8   30 o  258.843   6.1500  4325.88  202.158   0.0000   0.0000  4325.88  202.158  ?   ?   258.843   6.1500      ?      ? 
1 1 1  -22    8   31 o   30.297   14.204 -100.9188  137.766   0.0000   0.0000 -100.9188  137.766  ?   ?    30.297   14.204      ?      ? 
1 1 1  -22    8   32 o   43.099   17.056  118.241  138.476   0.0000   0.0000  118.241  138.476  ?   ?    43.099   17.056      ?      ? 
1 1 1  -22   10    1 o  143.108   4.5301  1241.92   74.623  1168.12   87.345  1441.35  143.589  135.610   5.0719  150.606   7.5076 -14.99532 9.060238 
1 1 1  -22   10    2 o  270.495   3.9682  4578.19  120.551  4501.00  140.201  4797.10  236.117  266.213   4.1471  274.777   6.7666 -8.563599 7.936319 
1 1 1  -22   10    3 o  808.964   7.5002 42097.82  680.085 42655.04  796.032 40591.98  1308.59  819.289   7.6510  798.639   12.903 20.64941 15.00045 
1 1 1  -22   10    4 o  478.466   4.9395 14577.20  263.981 14611.47  307.502 14481.18  514.721  479.617   5.0487  477.316   8.4916 2.301056 9.879064 
1 1 1  -22   10    5 o  303.926   4.0644  5931.64  140.372  6012.62  165.646  5725.35  264.389  307.680   4.2394  300.171   6.9358 7.508484 8.128837 
1 1 1  -22   10    6 o  344.373   4.1792  7545.28  163.383  7558.47  192.094  7510.79  310.667  344.963   4.3849  343.783   7.1159 1.180237 8.358492 
1 1 1  -22   10    7 o  287.206   3.9915  5272.54  133.075  5319.89  159.110  5162.32  242.761  289.401   4.3293  285.011   6.7072 4.389832 7.983072 
1 1 1  -22   10    8 o  336.170   4.1231  7266.17  160.315  7390.98  191.596  6974.79  292.752  341.097   4.4231  331.243   6.9595 9.854309 8.246115 
1 1 1  -22   10    9 o  402.967   4.4856 10343.68  207.588 10372.66  245.964 10271.94  387.017  404.047   4.7936  401.886   7.5831 2.160400 8.971220 
1 1 1  -22   10   10 o   91.172   8.4236  536.993   95.741  652.612  135.183  420.634  135.615  101.190   10.520   81.153   13.159 20.03731 16.84713 
1 1 1  -22   10   11 o  302.622   4.0760  5870.75  143.299  5943.36  171.596  5703.42  260.495  305.823   4.4183  299.420   6.8508 6.402985 8.151995 
1 1 1  -22   10   12 o  233.561   4.1747  3555.46  117.811  3780.14  148.333  3171.56  193.893  243.867   4.7897  223.255   6.8388 20.61235 8.349304 
1 1 1  -22   10   13 o  345.879   4.2808  7538.60  172.193  7434.97  205.021  7786.74  317.247  342.003   4.7205  349.755   7.1426 -7.752014 8.561552 
1 1 1  -22   10   14 o  114.777   5.7874  823.570   81.927  776.885  102.894  904.435  135.419  110.456   7.3353  119.097   8.9536 -8.640701 11.57475 
1 1 1  -22   10   15 o  159.697   4.7931  1602.24   93.476  1548.72  116.221  1700.29  157.307  156.023   5.8657  163.372   7.5822 -7.348862 9.586220 
1 1 1  -22   10   16 o  223.876   4.1627  3177.09  112.421  3150.40  138.505  3228.62  192.467  222.578   4.9001  225.173   6.7307 -2.595779 8.325484 
1 1 1  -22   10   17 o   64.724   10.674  275.008   85.780  231.152  113.244  334.046  131.391   58.773   15.094   70.676   15.098 -11.90297 21.34863 
1 1 1  -22   10   18 o  118.702   6.4519  884.535   96.260  793.556  125.625  1013.92  149.812  111.459   8.8753  125.945   9.3668 -14.48600 12.90375 
1 1 1  -22   10   19 o  172.076   5.2562  1908.68  111.483  1976.38  142.954  1803.59  178.098  176.117   6.3917  168.035   8.3460 8.081680 10.51239 
1 1 1  -22   10   20 o   91.516   8.5659  525.515   98.257  440.813  127.805  647.941  153.651   82.725   12.166  100.307   12.062 -17.58165 17.13182 
1 1 1  -22   10   21 o   92.208   9.3548  507.554  101.273  337.969  125.082  830.283  172.552   70.948   14.375  113.468   11.975 -42.51954 18.70951 
1 1 1  -22   10   22 o  269.493   6.6530  3816.05  202.825  2179.93  238.712  8063.75  384.630  184.153   10.207  354.834   8.5357 -170.6807 13.30604 
1 1 1  -22   10   23 o   30.409   10.535 -370.6563  122.639 -489.3617  153.034 -157.5828  205.031   22.550   11.375   38.267   17.734 -15.71678 21.06909 
1 1 1  -22   10   24 o   84.935   11.471  489.485  118.802  513.539  155.175  455.418  184.671   88.680   13.779   81.190   18.343 7.490471 22.94213 
1 1 1  -22   10   25 o   40.340   12.367 -15.8111  116.845 -56.4316  155.509   36.854  177.069   36.362   16.296   44.319   18.607 -7.957058 24.73460 
1 1 1  -22   10   26 o   67.098   13.350  316.636  117.718  305.788  155.998  330.983  179.402   65.900   18.090   68.295   19.637 -2.395210 26.69957 
1 1 1  -22   10   27 o   49.823   15.451   0.3807  151.941  157.701  338.163 -39.4130  170.075   61.208   25.707   38.439   17.148 22.76889 30.90154 
1 1 1  -22   10   28 o   44.581   14.174 -15.2345  158.128 -237.4887  324.917   53.744  181.011   44.987   21.311   44.176   18.694 0.8108597 28.34851 
1 1 1  -22   10   29 o   35.319   16.836 -498.1811  177.589 -1279.0370  336.026 -195.5536  209.190  ?   ?    35.319   16.836      ?      ? 
1 1 1  -22   10   30 o   52.897   15.568  169.717  166.878  256.260  278.629  121.308  208.388   57.838   23.725   47.956   20.163 9.882095 31.13556 
1 1 1  -22   10   31 o   32.322   14.885 -50.0000  141.159   0.0000   0.0000 -50.0000  141.159  ?   ?    32.322   14.885      ?      ? 
1 1 1  -22   12    1 o  564.726   5.5496 20530.43  352.599 20799.11  413.608 19815.84  674.529  571.924   5.6947  557.527   9.5270 14.39703 11.09928 
1 1 1  -22   12    2 o  392.091   4.3927 10053.51  197.644 10453.81  236.421  9124.48  360.169  405.568   4.5903  378.615   7.4908 26.95264 8.785440 
1 1 1  -22   12    3 o  354.247   4.2275  7882.28  168.832  7769.74  196.913  8194.62  328.045  349.657   4.4346  358.837   7.1988 -9.179871 8.455067 
1 1 1  -22   12    4 o  324.336   4.1145  6695.67  152.422  6703.63  179.881  6675.38  287.027  324.786   4.3612  323.887   6.9783 0.8989868 8.229073 
1 1 1  -22   12    5 o  242.922   4.7884  3745.75  147.518  3929.39  215.612  3584.15  202.270  248.501   6.8323  237.342   6.7109 11.15881 9.576856 
1 1 1  -22   12    6 o  320.557   4.5251  6392.90  179.535  5938.25  226.307  7164.93  294.901  305.571   5.8319  335.544   6.9207 -29.97250 9.050238 
1 1 1  -22   12    7 o  196.984   4.6545  2466.38  116.435  2466.38  116.435   0.0000   0.0000  196.984   4.6545  ?   ?       ?      ? 
1 1 1  -22   12    8 o   50.912   10.482  176.282   72.327  208.920   88.546  110.845  125.377   56.036   12.732   45.788   16.655 10.24829 20.96447 
1 1 1  -22   12    9 o  114.494   5.9414  833.673   81.691  830.075  100.270  840.778  140.880  114.195   6.9143  114.794   9.6639 -0.5986404 11.88271 
1 1 1  -22   12   10 o  185.937   4.1953  2173.00   94.087  2117.36  115.438  2283.09  162.387  182.486   4.9813  189.387   6.7519 -6.900406 8.390520 
1 1 1  -22   12   11 o  441.878   4.7861 12309.23  240.535 12160.57  282.206 12704.09  459.924  437.301   5.0817  446.455   8.1120 -9.153870 9.572292 
1 1 1  -22   12   12 o  259.376   4.0861  4352.04  127.167  4510.93  157.649  4056.08  215.161  266.359   4.6606  252.392   6.7129 13.96722 8.172160 
1 1 1  -22   12   13 o  273.147   4.1075  4799.29  134.109  4904.85  164.949  4593.43  230.343  277.732   4.6768  268.561   6.7539 9.171082 8.215062 
1 1 1  -22   12   14 o  130.355   5.4161  1095.89   86.087  1130.50  108.574  1037.30  141.270  133.238   6.4168  127.471   8.7269 5.767601 10.83212 
1 1 1  -22   12   15 o  146.359   5.2565  1384.61   93.258  1432.22  116.863  1301.13  154.749  149.969   6.1362  142.748   8.5365 7.220917 10.51309 
1 1 1  -22   12   16 o  123.840   6.4103  995.497   98.064  1053.61  127.110  910.051  154.130  128.484   7.7903  119.195   10.182 9.289825 12.82069 
1 1 1  -22   12   17 o   80.669   9.6612  423.561   95.264  408.839  123.582  445.120  149.547   79.682   12.213   81.656   14.973 -1.974190 19.32241 
1 1 1  -22   12   18 o  171.742   5.5116  1889.81  116.560  1905.86  148.133  1863.73  188.873  172.838   6.7490  170.647   8.7155 2.191101 11.02310 
1 1 1  -22   12   19 o   30.134   10.425 -262.8175  104.578 -293.5149  121.273 -173.7812  206.537   22.315   11.085   37.952   17.660 -15.63654 20.85084 
1 1 1  -22   12   20 o  398.022   5.6955 10465.24  271.245 14683.26  387.835  6426.59  379.499  479.666   6.3669  316.378   9.4455 163.2881 11.39105 
1 1 1  -22   12   21 f   51.629   13.475  145.504  110.097  150.462  131.102  133.642  202.788   49.680   17.130   53.577   20.806 -3.897202 26.95029 
1 1 1  -22   12   22 o   33.536   10.981 -130.2050  108.432 -175.1352  140.145 -63.1919  171.154   28.911   13.781   38.160   17.100 -9.248732 21.96174 
1 1 1  -22   12   23 o  121.665   7.9364  974.584  120.647  1061.92  161.932  865.614  180.879  128.169   9.9488  115.162   12.368 13.00751 15.87288 
1 1 1  -22   12   24 o   74.341   12.499  384.784  115.007  363.736  150.192  414.618  178.814   72.167   16.717   76.515   18.587 -4.348541 24.99810 
1 1 1  -22   12   25 o   89.572   15.513  605.059  156.753  537.201  336.240  623.902  177.186   82.816   27.437   96.327   14.485 -13.51054 31.02535 
1 1 1  -22   12   26 o   35.299   12.021 -247.5504  152.987 -436.4205  276.287 -164.0335  183.724   36.345   17.796   34.254   16.166 2.090858 24.04254 
1 1 1  -22   12   27 o  192.584   9.8984  2680.96  207.069  4359.71  301.692  1185.75  284.723  257.111   9.2399  128.057   17.508 129.0535 19.79673 
1 1 1  -22   12   28 o   29.364   10.298 -376.3719  138.720 -308.2226  217.454 -423.1355  180.133   32.577   15.917   26.151   13.072 6.425867 20.59694 
1 1 1  -22   12   29 o   39.414   12.699 -38.9144  144.790 -164.8590  215.172   65.303  195.734   35.554   16.983   43.273   18.883 -7.718929 25.39714 
1 1 1  -22   14    1 o  124.478   5.3650  981.604   78.213  972.430   93.736  1002.63  141.905  123.613   5.9712  125.344   8.9149 -1.730782 10.72994 
1 1 1  -22   14    2 o  273.303   4.0792  4692.04  127.185  4616.57  149.361  4891.11  242.573  269.479   4.3645  277.126   6.8927 -7.647766 8.158307 
1 1 1  -22   14    3 o  150.204   4.9155  1379.81   85.968  1300.92  101.512  1579.88  161.658  142.995   5.5901  157.412   8.0869 -14.41701 9.830901 
1 1 1  -22   14    4 o  302.823   4.0310  5800.03  141.866  5749.18  169.031  5921.20  260.936  300.716   4.4262  304.931   6.7384 -4.214294 8.062064 
1 1 1  -22   14    5 o  194.908   4.6949  2415.19  116.108  2323.82  160.225  2516.24  168.491  191.035   6.6045  198.781   6.6746 -7.745926 9.389859 
1 1 1  -22   14    6 o   48.792   10.866  128.807   76.518   66.175   96.220  236.561  126.206   38.030   14.442   59.555   16.240 -21.52538 21.73277 
1 1 1  -22   14    7 o  255.112   4.0407  4036.33  121.599  3868.58  145.533  4424.29  221.320  246.651   4.6462  263.574   6.6121 -16.92267 8.081316 
1 1 1  -22   14    8 o  458.220   4.9365 13417.03  260.373 13471.28  309.125 13284.57  483.045  460.153   5.2900  456.286   8.3363 3.866669 9.873070 
1 1 1  -22   14    9 o  118.064   5.7912  877.462   83.410  847.876  103.564  932.082  140.717  115.344   7.0703  120.785   9.1740 -5.440773 11.58235 
1 1 1  -22   14   10 o  247.188   4.0995  3910.10  122.726  3958.50  152.684  3821.75  206.295  249.460   4.8196  244.917   6.6327 4.543213 8.198905 
1 1 1  -22   14   11 o  226.093   4.2669  3311.08  117.352  3464.80  148.193  3052.58  192.171  233.356   5.0007  218.830   6.9152 14.52612 8.533852 
1 1 1  -22   14   12 o  288.130   4.1910  5275.11  143.466  5252.13  174.256  5323.46  252.760  287.314   4.7759  288.946   6.8883 -1.631287 8.382012 
1 1 1  -22   14   13 o  103.159   7.1219  672.505   91.630  633.755  117.515  732.603  146.347   99.495   9.3007  106.822   10.788 -7.327255 14.24377 
1 1 1  -22   14   14 o  162.412   5.1269  1711.70  101.071  1785.58  127.192  1585.13  166.482  167.385   5.9836  157.440   8.3268 9.945374 10.25373 
1 1 1  -22   14   15 o  163.306   5.2069  1614.47  102.877  1433.23  124.871  1997.43  181.511  149.885   6.5603  176.727   8.0876 -26.84241 10.41384 
1 1 1  -22   14   16 o  243.952   5.2685  3543.86  145.340  3266.25  167.675  4382.64  291.461  226.355   5.8331  261.548   8.7751 -35.19269 10.53695 
1 1 1  -22   14   17 o  106.786   8.3986  1311.21  137.595  2143.39  163.450 -712.9016  254.915  183.150   7.0275   30.421   15.256 152.7292 16.79719 
1 1 1  -22   14   18 o   46.541   12.868   94.606  106.665  100.473  131.884   83.510  181.368   44.864   16.940   48.218   19.374 -3.353745 25.73501 
1 1 1  -22   14   19 o   52.115   12.936  163.368  109.523  220.119  140.114   74.227  175.603   57.334   17.577   46.896   18.985 10.43816 25.87262 
1 1 1  -22   14   20 o   33.966   10.915 -94.9071  106.387 -11.3275  140.555 -207.0184  162.788   37.054   16.087   30.878   14.756 6.175093 21.82975 
1 1 1  -22   14   21 o  127.565   7.2607  1053.66  117.425  1026.76  160.687  1084.48  172.020  125.877   10.052  129.254   10.480 -3.376503 14.52146 
1 1 1  -22   14   22 o   70.390   14.315  352.719  130.706  365.090  222.044  346.159  161.687   71.018   22.186   69.762   18.097 1.255890 28.63043 
1 1 1  -22   14   23 o  161.094   8.2788  1732.53  155.608  1676.76  278.765  1757.78  187.547  157.847   13.907  164.341   8.9864 -6.494278 16.55756 
1 1 1  -22   14   24 o   63.648   14.145  303.872  132.710  199.841  195.961  392.005  180.367   55.116   20.682   72.180   19.303 -17.06462 28.29046 
1 1 1  -22   14   25 o   27.795   9.8402 -507.5478  146.823 -514.0389  211.554 -501.5158  203.934   28.078   14.055   27.513   13.776 0.5652161 19.68039 
1 1 1  -22   14   26 o   85.771   12.946  538.129  141.738  874.614  224.613  315.483  182.709  109.223   16.194   62.319   20.204 46.90349 25.89271 
1 1 1  -22   14   27 o   40.215   12.231   30.602  119.721 -94.8048  174.614  141.853  164.464   34.150   16.004   46.279   18.500 -12.12939 24.46207 
1 1 1  -22   16    1 o   68.053   10.683  270.334   82.743  213.809   96.432  428.121  161.114   56.418   13.615   79.688   16.465 -23.27053 21.36545 
1 1 1  -22   16    2 o  185.627   4.8561  2166.68  103.052  2127.34  121.142  2269.69  196.031  182.799   5.2185  188.455   8.1911 -5.655594 9.712164 
1 1 1  -22   16    3 o  338.625   4.3869  7403.11  171.928  7544.93  205.715  7074.56  313.107  344.341   4.7043  332.909   7.4061 11.43204 8.773898 
1 1 1  -22   16    4 o  116.454   6.5116  856.741   90.222  836.041  109.248  901.141  159.998  114.431   7.5178  118.477   10.634 -4.046417 13.02315 
1 1 1  -22   16    5 o  142.133   5.6117  1299.55   91.839  1311.94  109.232  1269.68  169.631  143.486   5.9947  140.780   9.4883 2.706131 11.22334 
1 1 1  -22   16    6 o  209.663   4.4462  2752.02  108.776  2677.91  129.463  2929.93  200.596  205.107   4.9704  214.220   7.3737 -9.112808 8.892463 
1 1 1  -22   16    7 o   74.594   9.9818  398.480   83.484  446.427  100.685  292.992  149.342   83.458   9.4999   65.730   17.558 17.72740 19.96354 
1 1 1  -22   16    8 o  209.890   4.4374  2683.04  108.755  2506.17  128.495  3129.72  204.197  198.393   5.1002  221.387   7.2631 -22.99416 8.874900 
1 1 1  -22   16    9 o  163.886   5.2720  1644.89  100.758  1545.54  119.059  1895.63  189.141  155.702   6.0213  172.070   8.6557 -16.36833 10.54401 
1 1 1  -22   16   10 o  246.337   4.6804  3819.73  138.949  3710.24  170.233  4038.27  240.508  241.302   5.5553  251.372   7.5342 -10.06981 9.360813 
1 1 1  -22   16   11 o  202.275   5.3700  2427.58  128.672  2134.26  152.663  3147.09  239.099  182.868   6.5738  221.681   8.4932 -38.81302 10.74008 
1 1 1  -22   16   12 o  191.336   9.7371  2352.66  236.593   0.0000   0.0000  2352.66  236.593  ?   ?   191.336   9.7371      ?      ? 
1 1 1  -22   16   13 o  184.943   5.7751  2149.05  130.639  2042.72  162.286  2344.79  220.194  178.758   7.1489  191.128   9.0720 -12.37007 11.55021 
1 1 1  -22   16   14 o  288.953   4.6925  5206.61  157.141  5031.32  185.823  5646.64  294.415  280.960   5.2081  296.946   7.8074 -15.98575 9.385044 
1 1 1  -22   16   15 o  183.525   5.3539  2164.93  120.823  2188.90  153.347  2125.71  196.207  185.072   6.5246  181.977   8.4902 3.095123 10.70770 
1 1 1  -22   16   16 o  105.827   8.0680  745.098  104.754  816.592  136.215  641.614  163.881  112.543   9.5308   99.112   13.020 13.43127 16.13590 
1 1 1  -22   16   17 o   81.715   11.190  462.074  110.708  501.186  143.357  404.284  174.257   87.455   12.908   75.975   18.282 11.47919 22.37992 
1 1 1  -22   16   18 o   53.585   12.934  184.149  104.235  173.072  135.232  200.364  163.611   51.616   17.405   55.554   19.137 -3.937542 25.86802 
1 1 1  -22   16   19 o   49.937   13.560  134.375  120.979  106.162  182.604  156.448  161.512   48.736   19.490   51.138   18.857 -2.402817 27.11923 
1 1 1  -22   16   20 o  122.382   8.8108  990.258  135.014  1044.93  211.332  952.557  175.499  124.794   13.335  119.970   11.519 4.823593 17.62152 
1 1 1  -22   16   21 o   46.847   13.439   88.873  126.581   21.818  172.183  167.733  186.725   41.415   17.893   52.278   20.055 -10.86299 26.87705 
1 1 1  -22   16   22 o  104.655   10.562  1002.30  143.660  1837.51  193.394 -25.9693  214.585  166.946   9.1220   42.363   19.052 124.5834 21.12320 
1 1 1  -22   16   23 o   40.991   12.899   9.0444  130.934 -19.4544  221.978   24.250  162.145   42.470   19.213   39.512   17.216 2.958424 25.79771 
1 1 1  -22   16   24 o   45.928   13.467  116.101  131.366   3.0161  228.043  172.265  160.710   42.908   19.436   48.947   18.647 -6.039536 26.93466 
1 1 1  -22   16   25 o   42.999   19.648   15.758  239.470   15.758  239.470   0.0000   0.0000   42.999   19.648  ?   ?       ?      ? 
1 1 1  -22   18    1 o   54.475   11.405  210.656   90.981  281.339  109.926   56.942  162.106   64.544   13.827   44.405   18.142 20.13873 22.81080 
1 1 1  -22   18    2 o  130.766   6.5559  1129.61  100.470  1185.39  122.478  1014.87  175.674  136.161   7.0832  125.371   11.034 10.78979 13.11187 
1 1 1  -22   18    3 o   38.172   11.272   22.742   92.066   68.295  114.345 -61.2219  155.241   40.060   15.605   36.284   16.270 3.775803 22.54400 
1 1 1  -22   18    4 f  171.736   5.8130  1883.55  113.259  1875.12  132.977  1905.83  216.147  171.399   6.1093  172.074   9.8914 -0.6745911 11.62593 
1 1 1  -22   18    5 o  153.234   6.5860  1630.76  111.186  1788.49  132.329  1252.06  205.047  167.370   6.2259  139.099   11.608 28.27083 13.17207 
1 1 1  -22   18    6 o  246.222   4.6574  3787.12  133.579  3662.63  158.584  4091.19  247.836  239.701   5.2097  252.744   7.7216 -13.04315 9.314718 
1 1 1  -22   18    7 o   39.141   11.734   18.171   98.836   51.736  120.224 -51.8132  173.599   39.220   15.768   39.062   17.382 0.1579437 23.46864 
1 1 1  -22   18    8 o   63.115   12.167  280.621   98.420  308.109  120.643  225.927  170.177   67.350   14.532   58.881   19.520 8.468792 24.33498 
1 1 1  -22   18    9 o  188.900   5.2644  2297.98  120.641  2326.83  150.449  2246.01  201.911  190.828   6.2083  186.972   8.5037 3.856262 10.52875 
1 1 1  -22   18   10 o   73.802   11.633  363.560  102.833  332.413  127.870  420.579  173.013   69.790   14.882   77.814   17.883 -8.023453 23.26558 
1 1 1  -22   18   11 o   48.747   12.476  139.593   99.862  173.836  124.723   78.431  166.686   51.469   16.693   46.024   18.545 5.444714 24.95142 
1 1 1  -22   18   12 o   45.994   12.669   96.532  103.223   85.347  129.124  116.335  171.810   42.827   16.610   49.162   19.134 -6.335209 25.33842 
1 1 1  -22   18   13 o   80.400   11.173  407.448  110.160  254.484  138.655  669.262  181.400   60.420   17.229  100.380   14.230 -39.95984 22.34595 
1 1 1  -22   18   14 o  104.898   8.3711  706.483  109.604  635.542  140.185  818.050  175.800   98.473   11.210  111.322   12.435 -12.84863 16.74224 
1 1 1  -22   18   15 o   52.152   12.492  164.621   98.939  102.322  126.753  261.771  158.285   43.632   16.575   60.672   18.695 -17.04025 24.98483 
1 1 1  -22   18   16 o   89.739   11.662  577.576  126.908  353.179  176.510  817.714  182.595   69.119   19.345  110.359   13.029 -41.24030 23.32370 
1 1 1  -22   18   17 o  124.934   8.8264  1049.68  136.006  1042.92  173.036  1060.60  219.991  125.278   10.876  124.591   13.904 0.6868134 17.65273 
1 1 1  -22   18   18 o  188.554   9.0113  2639.62  189.201  3750.63  257.899  1344.77  278.420  239.198   8.4901  137.910   15.897 101.2881 18.02255 
1 1 1  -22   18   19 o   69.009   13.478  353.961  133.207  587.519  199.822  167.154  178.707   87.520   18.554   50.499   19.554 37.02166 26.95573 
1 1 1  -22   18   20 o   75.232   13.970  450.962  134.008  537.452  208.381  389.966  174.994   80.958   20.304   69.507   19.193 11.45177 27.93990 
1 1 1  -22   18   21 o   40.322   12.695  -1.9600  137.850 -148.1751  209.894  108.946  182.802   35.623   16.949   45.020   18.904 -9.396641 25.38962 
1 1 1  -22   20    1 o  179.665   5.3944  2112.34  117.754  2192.94  148.243  1974.53  193.837  184.824   6.3160  174.507   8.7467 10.31680 10.78874 
1 1 1  -22   20    2 o  239.111   5.0254  3650.01  137.575  3610.08  162.243  3752.19  259.541  237.501   5.3793  240.720   8.4902 -3.219009 10.05084 
1 1 1  -22   20    3 o  184.562   5.7989  2195.97  124.087  2185.81  147.881  2220.15  228.110  184.527   6.3106  184.596   9.7307 -0.6814575E-01 11.59788 
1 1 1  -22   20    4 o  159.481   6.0052  1650.40  112.860  1655.39  136.495  1639.59  200.661  160.460   6.6984  158.503   9.9689 1.957367 12.01036 
1 1 1  -22   20    5 o  176.157   5.7103  1999.76  120.229  1985.04  146.877  2029.65  209.306  175.722   6.5819  176.592   9.3333 -0.8699646 11.42067 
1 1 1  -22   20    6 o  186.805   5.7009  2261.75  125.524  2267.22  151.807  2249.92  223.195  187.831   6.3642  185.779   9.4604 2.052673 11.40189 
1 1 1  -22   20    7 o  173.628   5.9597  1929.85  120.816  1889.16  144.188  2025.75  221.352  171.318   6.6275  175.939   9.9070 -4.621811 11.91942 
1 1 1  -22   20    8 o   54.030   12.678  195.102   99.503  166.366  126.748  241.257  160.633   49.782   16.850   58.278   18.947 -8.496040 25.35570 
1 1 1  -22   20    9 o  105.723   8.9382  770.870  111.302  814.494  137.003  686.186  190.883  111.420   9.6825  100.026   15.027 11.39484 17.87646 
1 1 1  -22   20   10 o  104.709   8.9801  684.862  112.959  582.449  135.650  916.518  204.016   93.465   11.429  115.953   13.855 -22.48817 17.96022 
1 1 1  -22   20   11 o  ?   ?  -816.7334  112.639 -736.3431  129.376 -1068.5280  228.969  ?   ?   ?   ?       ?      ? 
1 1 1  -22   20   12 f  236.259   7.2219  3946.19  189.319  6160.70  271.099  1838.22  264.497  308.189   6.9268  164.329   12.674 143.8597 14.44376 
1 1 1  -22   20   13 o   37.441   12.188 -107.7584  132.358 -197.6447  172.094   22.406  207.093   31.167   14.968   43.715   19.240 -12.54749 24.37664 
1 1 1  -22   20   14 o   60.745   14.526  293.516  133.012  294.973  195.461  292.259  181.527   60.790   20.918   60.700   20.162 0.8938217E-01 29.05295 
1 1 1  -22   20   15 o   69.789   14.060  393.999  131.475  480.455  195.428  322.516  177.700   76.749   19.889   62.828   19.879 13.92135 28.11987 
1 1 1  -22   20   16 o   46.423   13.570  126.155  130.265  115.759  183.816  136.643  184.631   45.730   19.061   47.117   19.318 -1.386242 27.13912 
1 1 1  -22   20   17 o   69.775   12.434  404.877  140.358   71.549  205.851  694.491  191.878   43.767   19.225   95.783   15.775 -52.01617 24.86823 
1 1 1  -22   22    1 o   53.252   13.444  103.599  120.386 -43.9474  142.910  464.162  223.404   33.432   15.238   73.073   22.152 -39.64137 26.88722 
1 1 1  -22   22    2 o  173.333   6.0127  1853.35  120.591  1671.57  140.952  2349.78  232.927  159.855   6.9433  186.811   9.8184 -26.95638 12.02540 
1 1 1  -22   22    3 o   37.354   11.551   27.917   97.302   54.064  112.716 -48.5542  192.764   36.439   15.035   38.269   17.539 -1.830017 23.10128 
1 1 1  -22   22    4 o   33.732   10.792 -23.4043   95.437   10.825  113.968 -103.7512  174.609   33.252   14.461   34.211   16.024 -0.9596176 21.58458 
1 1 1  -22   22    5 o   81.135   11.536  477.200  100.011  459.472  114.211  535.494  207.101   81.922   10.978   80.347   20.292 1.575157 23.07125 
1 1 1  -22   22    6 o   37.770   11.407 -12.4221   95.521 -96.8639  116.638  159.550  166.452   27.385   12.911   48.155   18.809 -20.77049 22.81334 
1 1 1  -22   22    7 o   52.306   12.008  225.182   98.393  282.506  116.252   80.408  184.746   61.000   15.090   43.613   18.684 17.38732 24.01680 
1 1 1  -22   22    8 o   71.866   12.338  384.866  103.628  342.082  122.752  490.986  193.325   67.330   14.763   76.401   19.773 -9.071907 24.67628 
1 1 1  -22   22    9 o   49.994   13.548  187.832  116.972  172.310  146.187  215.456  195.017   47.872   17.883   52.115   20.358 -4.242741 27.09699 
1 1 1  -22   22   10 o   45.090   13.721   93.187  147.738 -23.9025  219.423  190.286  199.816   40.168   18.520   50.012   20.250 -9.843712 27.44235 
1 1 1  -21    1    1 o  270.905   4.1554  4660.86  142.958  4660.86  142.958   0.0000   0.0000  270.905   4.1554  ?   ?       ?      ? 
1 1 1  -21    1    2 o  701.768   5.6930 31276.47  507.155 30733.08  705.383 31857.95  729.687  695.466   7.9868  708.071   8.1149 -12.60492 11.38595 
1 1 1  -21    1    4 o  439.872   3.9148 12280.73  218.584 12585.44  315.021 11997.82  303.546  445.129   5.5728  434.615   5.4997 10.51385 7.829659 
1 1 1  -21    1    5 o   82.206   5.1727  440.514   52.423  544.143   72.677  328.120   75.689   92.553   6.1834   71.859   8.2942 20.69466 10.34548 
1 1 1  -21    1    6 o  782.487   6.3077 38903.35  626.696 38477.79  876.761 39347.92  896.122  778.116   8.8728  786.857   8.9680 -8.741699 12.61547 
1 1 1  -21    1    7 o  598.200   5.0124 22730.49  380.736 22513.88  533.579 22955.19  543.441  595.298   7.0581  601.101   7.1191 -5.803284 10.02489 
1 1 1  -21    1    8 o  307.682   5.0157  6012.67  195.980  6012.67  195.980   0.0000   0.0000  307.682   5.0157  ?   ?       ?      ? 
1 1 1  -21    1    9 o   80.467   8.1534  424.658   79.158  320.360  112.345  527.487  111.551   69.832   13.151   91.102   9.6420 -21.27044 16.30686 
1 1 1  -21    1   10 o  373.728   3.8514  8854.60  182.576  8540.17  250.912  9208.42  266.165  366.691   5.3882  380.765   5.5045 -14.07394 7.702725 
1 1 1  -21    1   11 o  425.852   4.1906 11515.34  226.515 11419.58  314.892 11618.03  326.083  424.020   5.8479  427.685   6.0038 -3.665070 8.381133 
1 1 1  -21    1   12 o  381.651   4.3264  9221.06  209.332  9840.93  306.770  8680.91  286.363  393.614   6.1371  369.688   6.0996 23.92554 8.652740 
1 1 1  -21    1   13 o  299.004   4.6127  5684.88  174.949  5845.23  243.922  5515.00  251.062  303.354   6.3318  294.654   6.7095 8.700195 9.225451 
1 1 1  -21    1   14 o  177.606   8.8543  2004.42  199.706   0.0000   0.0000  2004.42  199.706  ?   ?   177.606   8.8543      ?      ? 
1 1 1  -21    1   15 o  520.122   5.0173 17163.33  331.037 16731.03  455.515 17647.18  481.914  513.194   6.9895  527.049   7.2001 -13.85547 10.03467 
1 1 1  -21    1   16 o   65.899   13.553  280.670  123.306  194.975  177.394  360.780  171.516   58.002   19.930   73.796   18.373 -15.79486 27.10652 
1 1 1  -21    1   17 o  195.881   5.7191  2431.57  142.058  2592.87  207.486  2289.24  194.904  201.978   8.0892  189.784   8.0869 12.19403 11.43826 
1 1 1  -21    1   18 o  295.818   4.7714  5562.32  179.101  5570.31  258.620  5554.96  248.271  296.015   6.8797  295.620   6.6132 0.3951416 9.542814 
1 1 1  -21    1   19 o  188.368   6.1268  2247.89  146.048  2393.27  217.933  2129.36  196.772  193.857   8.8524  182.879   8.4727 10.97798 12.25363 
1 1 1  -21    1   20 o  154.057   6.3874  1527.19  110.320  1543.93  129.085  1481.82  212.461  155.779   6.5252  152.335   10.982 3.443054 12.77470 
1 1 1  -21    1   21 o  191.445   6.7142  2322.72  162.476  2185.52  217.395  2496.33  244.544  185.107   9.2481  197.783   9.7362 -12.67644 13.42834 
1 1 1  -21    1   22 o  269.258   4.7064  4484.08  146.935  4304.64  173.553  4938.20  276.099  260.155   5.2532  278.361   7.8105 -18.20630 9.412769 
1 1 1  -21    1   23 o  374.220   3.9904  8912.23  189.597  8882.12  270.709  8941.23  265.624  373.591   5.7060  374.850   5.5800 -1.259460 7.980855 
1 1 1  -21    1   24 o  138.179   5.6675  1218.94   99.422  1198.10  141.489  1239.27  139.736  137.001   8.1324  139.356   7.8959 -2.355042 11.33499 
1 1 1  -21    1   25 o  119.127   6.5975  903.464   99.488  1009.13  146.562  813.168  135.484  125.565   9.1912  112.689   9.4674 12.87639 13.19509 
1 1 1  -21    1   26 o   72.812   10.217  353.294   92.411  282.499  130.439  424.633  130.939   64.560   15.993   81.063   12.719 -16.50330 20.43398 
1 1 1  -21    1   28 o   71.590   11.248  354.224   99.597  297.337  147.651  401.719  134.913   65.865   17.394   77.315   14.266 -11.45001 22.49656 
1 1 1  -21    1   29 o   42.173   12.026   33.755  107.820 -100.6444  162.780  138.811  143.916   35.178   16.121   49.168   17.850 -13.98950 24.05217 
1 1 1  -21    1   30 o   36.438   11.302 -55.3128  107.863 -203.8964  164.353   57.106  142.959   31.029   14.827   41.847   17.060 -10.81811 22.60299 
1 1 1  -21    1   31 o   48.253   12.364  113.007  103.914  243.875  157.421   11.950  138.334   58.830   18.721   37.676   16.155 21.15487 24.72729 
1 1 1  -21    1   32 o  ?   ?  -726.0844   94.771 -728.4275  134.432 -723.7691  133.626  ?   ?   ?   ?       ?      ? 
1 1 1  -21    1   33 o   33.455   10.841 -76.3438  105.787 -145.7244  147.705  -3.2738  151.581   29.887   14.219   37.023   16.370 -7.135170 21.68296 
1 1 1  -21    1   34 o   37.872   11.654 -22.2830  113.009  138.112  164.123 -166.8918  155.837   46.174   18.473   29.570   14.212 16.60391 23.30726 
1 1 1  -21    3    1 o  169.666   3.0199  1830.00   64.944  1860.55   89.562  1796.12   94.310  171.162   4.1204  168.170   4.4160 2.992020 6.039792 
1 1 1  -21    3    2 o  719.585   5.8384 32866.37  533.122 33810.85  772.494 32007.44  736.677  729.439   8.3393  709.730   8.1735 19.70953 11.67686 
1 1 1  -21    3    3 f  440.540   3.9441 12324.20  220.626 12566.85  314.793 12089.95  309.302  444.801   5.5729  436.279   5.5827 8.521729 7.888177 
1 1 1  -21    3    4 o  498.341   4.3211 15758.69  273.308 16273.08  394.778 15285.22  378.751  506.142   6.1419  490.540   6.0800 15.60123 8.642286 
1 1 1  -21    3    5 o  773.496   8.8167 38021.37  866.047 38021.37  866.047   0.0000   0.0000  773.496   8.8167  ?   ?       ?      ? 
1 1 1  -21    3    6 f  552.716   4.7489 19374.13  332.811 18855.47  455.792 19966.47  487.099  544.810   6.5878  560.621   6.8418 -15.81091 9.497885 
1 1 1  -21    3    7 o  151.587   5.8917  1459.57  113.418   0.0000   0.0000  1459.57  113.418  ?   ?   151.587   5.8917      ?      ? 
1 1 1  -21    3    8 o  383.232   3.8519  9327.94  187.173  9322.99  257.624  9333.47  272.400  383.128   5.2950  383.337   5.5956 -0.2090759 7.703769 
1 1 1  -21    3    9 o  187.911   4.0570  2246.09   96.607  2302.83  133.387  2183.49  140.107  190.412   5.5162  185.409   5.9505 5.003815 8.113981 
1 1 1  -21    3   10 o  380.909   4.0079  9189.87  193.013  8958.90  259.577  9475.48  288.656  375.575   5.4424  386.243   5.8850 -10.66794 8.015777 
1 1 1  -21    3   11 o  520.271   7.0344 17194.90  464.767   0.0000   0.0000 17194.90  464.767  ?   ?   520.271   7.0344      ?      ? 
1 1 1  -21    3   12 o  502.046   4.8297 16013.20  307.790 16092.91  429.628 15929.15  441.162  503.333   6.7214  500.759   6.9373 2.574066 9.659379 
1 1 1  -21    3   13 o  502.741   6.9101 16055.85  441.167 16055.85  441.167   0.0000   0.0000  502.741   6.9101  ?   ?       ?      ? 
1 1 1  -21    3   14 o  406.029   6.3133 10471.99  325.532 10471.99  325.532   0.0000   0.0000  406.029   6.3133  ?   ?       ?      ? 
1 1 1  -21    3   15 o   48.362   13.373   68.851  119.814  157.743  187.176   7.1439  155.951   55.572   20.329   41.152   17.380 14.42035 26.74580 
1 1 1  -21    3   16 o  145.104   6.9845  1333.41  128.113  1390.32  192.129  1287.83  171.910  147.874   10.231  142.333   9.5108 5.541748 13.96894 
1 1 1  -21    3   17 o  471.104   5.0784 14053.29  268.773 13993.17  313.586 14219.72  521.731  469.320   5.2615  472.888   8.6878 -3.568237 10.15684 
1 1 1  -21    3   18 o  232.853   4.8671  3515.12  135.987  3666.98  168.906  3235.32  229.268  240.201   5.5372  225.505   8.0059 14.69666 9.734229 
1 1 1  -21    3   19 o  205.056   4.8779  2586.26  117.364  2453.34  139.566  2907.20  216.873  196.432   5.5949  213.680   7.9922 -17.24876 9.755875 
1 1 1  -21    3   20 o  133.205   6.3952  1163.93  101.586  1236.02  126.141  1030.88  171.364  139.346   7.1283  127.064   10.620 12.28188 12.79038 
1 1 1  -21    3   21 o  267.425   4.4029  4480.90  141.786  4338.12  173.416  4768.79  246.250  261.183   5.2284  273.667   7.0856 -12.48355 8.805773 
1 1 1  -21    3   22 o  141.008   6.4258  1231.81  107.950  1166.48  130.071  1376.39  193.504  135.291   7.5706  146.725   10.385 -11.43347 12.85160 
1 1 1  -21    3   23 o  216.207   4.9669  3068.67  127.821  3262.92  158.497  2707.33  216.173  226.438   5.5118  205.976   8.2643 20.46140 9.933732 
1 1 1  -21    3   24 o  222.926   5.2513  3215.30  137.116  3290.64  165.749  3051.98  244.051  227.331   5.7413  218.521   8.7944 8.809631 10.50264 
1 1 1  -21    3   25 o   77.639   9.9370  401.135   94.904  351.567  138.694  444.779  130.142   72.214   15.581   83.064   12.337 -10.84995 19.87410 
1 1 1  -21    3   26 o   30.249   9.8564 -98.3315   88.335 -57.7543  126.089 -137.4443  123.793   32.442   14.596   28.056   13.250 4.385500 19.71281 
1 1 1  -21    3   27 o   27.530   9.4916 -272.8156  107.347 -313.7908  148.268 -227.6741  155.623   25.726   12.684   29.333   14.124 -3.607233 18.98326 
1 1 1  -21    3   28 o   47.680   12.970  108.002  110.710   92.187  162.993  121.547  150.846   47.025   18.538   48.335   18.144 -1.309353 25.94002 
1 1 1  -21    3   29 o   77.812   12.048  421.853  115.314  389.785  172.393  447.818  155.128   74.672   18.318   80.952   15.656 -6.279259 24.09694 
1 1 1  -21    3   30 o  113.520   8.4544  834.047  119.827  911.657  190.697  783.409  154.035  117.556   12.774  109.484   11.079 8.072197 16.90882 
1 1 1  -21    3   31 o   45.244   12.678   94.741  105.091  120.055  173.684   80.121  131.996   48.528   19.135   41.959   16.638 6.568874 25.35622 
1 1 1  -21    3   32 o  239.576   4.6611  3718.91  141.335  3637.15  207.169  3790.08  193.305  236.907   6.8860  242.246   6.2836 -5.338943 9.322104 
1 1 1  -21    3   33 o   47.993   12.788  156.131  106.391  139.541  156.960  170.231  144.704   46.931   18.283   49.056   17.885 -2.125214 25.57620 
1 1 1  -21    3   34 o   60.015   12.677  300.532  111.121  182.856  165.644  396.823  149.840   49.276   18.893   70.754   16.907 -21.47776 25.35322 
1 1 1  -21    5    1 o  991.219   7.8474 62462.43  987.811 62632.54  1398.78 62293.20  1395.18  992.566   11.097  989.873   11.099 2.692627 15.69487 
1 1 1  -21    5    2 o  419.903   3.8941 11201.11  207.574 11286.20  290.268 11112.06  296.952  421.537   5.4223  418.269   5.5905 3.268616 7.788184 
1 1 1  -21    5    3 o  575.038   4.8830 21006.41  356.565 21255.44  504.799 20758.45  503.720  578.441   6.8720  571.635   6.9389 6.805237 9.765907 
1 1 1  -21    5    4 o  514.778   4.5124 16802.28  294.381 16383.48  401.607 17288.61  432.772  507.863   6.2270  521.693   6.5323 -13.83017 9.024754 
1 1 1  -21    5    5 o  784.351   6.3590 39093.98  633.398 39263.18  895.760 38924.79  895.762  786.050   8.9735  782.653   9.0125 3.397339 12.71809 
1 1 1  -21    5    6 o  522.091   4.6063 17313.48  305.155 17287.10  422.937 17342.12  440.721  521.680   6.3840  522.501   6.6420 -0.8211670 9.212578 
1 1 1  -21    5    7 o  793.286   6.4536 39987.86  650.129 40347.02  921.180 39631.43  917.674  796.836   9.1033  789.735   9.1502 7.100891 12.90717 
1 1 1  -21    5    8 o  602.332   7.2389 23047.10  553.715 23047.10  553.715   0.0000   0.0000  602.332   7.2389  ?   ?       ?      ? 
1 1 1  -21    5   10 o  504.633   4.8345 16103.90  308.416 15462.28  413.685 16906.79  462.763  493.375   6.6026  515.892   7.0635 -22.51669 9.668916 
1 1 1  -21    5   12 o  339.503   4.8037  7294.38  204.721  7146.39  268.562  7499.65  316.298  335.419   6.3049  343.588   7.2491 -8.169159 9.607328 
1 1 1  -21    5   13 o  416.476   4.5920 11162.14  221.842 11380.18  265.843 10662.09  402.596  423.299   4.9454  409.654   7.7388 13.64542 9.184015 
1 1 1  -21    5   14 o  444.872   4.7937 12739.00  245.477 12974.68  292.491 12177.47  451.473  451.973   5.0959  437.771   8.1210 14.20175 9.587403 
1 1 1  -21    5   15 o  418.555   4.6567 10948.06  218.467 10749.23  253.713 11518.29  429.653  411.382   4.8565  425.729   7.9471 -14.34735 9.313489 
1 1 1  -21    5   16 o  184.209   4.6391  2099.94  104.128  1968.18  128.365  2353.47  178.062  176.000   5.7432  192.418   7.2870 -16.41797 9.278201 
1 1 1  -21    5   17 o   97.231   7.9611  610.455   92.596  626.779  114.138  579.028  158.371   99.225   9.0579   95.237   13.095 3.988335 15.92213 
1 1 1  -21    5   18 f  252.232   4.2518  4089.58  128.895  4185.59  159.478  3908.70  218.886  256.614   4.8938  247.851   6.9542 8.763275 8.503544 
1 1 1  -21    5   19 o  156.101   5.2449  1544.82   99.620  1528.63  123.915  1574.39  167.507  155.008   6.2949  157.193   8.3912 -2.184601 10.48989 
1 1 1  -21    5   20 o  154.795   5.4487  1546.89  103.347  1610.25  131.558  1444.78  167.018  159.062   6.5129  150.528   8.7371 8.534363 10.89748 
1 1 1  -21    5   21 o  169.241   5.4278  1798.68  113.345  1718.22  142.754  1935.93  186.444  164.259   6.8436  174.223   8.4268 -9.964157 10.85568 
1 1 1  -21    5   22 o   63.557   11.317  281.767  101.681  405.622  131.112   94.862  161.062   79.451   12.995   47.662   18.533 31.78904 22.63487 
1 1 1  -21    5   23 o   45.447   11.683   86.006  101.059  199.392  126.803 -111.4028  167.314   55.169   16.681   35.724   16.361 19.44456 23.36541 
1 1 1  -21    5   24 o   68.936   12.471  320.819  106.605  320.407  133.040  321.557  178.191   68.924   15.567   68.947   19.487 -0.2370453E-01 24.94156 
1 1 1  -21    5   25 o   68.988   12.540  327.123  108.124  341.743  135.451  301.443  179.514   71.132   15.438   66.844   19.766 4.287346 25.08051 
1 1 1  -21    5   26 o  456.739   9.3089 13388.34  539.939   0.0000   0.0000 13388.34  539.939  ?   ?   456.739   9.3089      ?      ? 
1 1 1  -21    5   27 o   63.982   11.933  287.563  102.600  171.496  155.162  377.743  136.769   53.211   18.619   74.753   14.930 -21.54228 23.86553 
1 1 1  -21    5   28 o   42.113   12.027   58.135   95.563   77.836  161.628   47.546  118.492   45.659   18.309   38.567   15.602 7.091724 24.05483 
1 1 1  -21    5   29 o   65.814   12.702  285.174  108.951  409.987  175.288  206.597  139.081   76.274   18.325   55.354   17.594 20.92056 25.40422 
1 1 1  -21    5   30 o   53.987   13.237  175.471  106.279  262.504  184.394  132.176  130.055   61.195   20.320   46.779   16.971 14.41551 26.47496 
1 1 1  -21    5   31 o   66.341   10.067  326.031  109.135 -75.1599  166.526  628.068  144.490   35.762   16.357   96.920   11.739 -61.15799 20.13403 
1 1 1  -21    5   32 o   29.625   10.005 -232.2336  106.735 -27.9895  160.835 -392.9763  142.683   36.816   16.531   22.434   11.273 14.38183 20.00901 
1 1 1  -21    5   33 o   67.594   14.523  360.298  124.480  458.163  242.292  325.203  145.094   70.974   23.280   64.214   17.372 6.760246 29.04698 
1 1 1  -21    7    2 o  572.593   4.9889 20792.47  361.944 20338.30  493.252 21322.29  532.758  565.837   6.8644  579.350   7.2412 -13.51239 9.977709 
1 1 1  -21    7    3 o  694.228   5.8132 30624.61  512.427 30921.34  720.995 30321.74  728.424  697.631   8.1382  690.825   8.3031 6.805481 11.62632 
1 1 1  -21    7    4 o  339.307   5.4821  7312.27  236.219  7312.27  236.219   0.0000   0.0000  339.307   5.4821  ?   ?       ?      ? 
1 1 1  -21    7    6 o  576.257   5.1208 21050.76  373.979 20441.98  510.007 21758.83  550.031  567.270   7.0796  585.244   7.4007 -17.97412 10.24163 
1 1 1  -21    7    7 o  735.452   6.9213 34525.58  565.869 34689.29  657.872 34060.00  1109.46  738.972   7.0103  731.932   11.936 7.039795 13.84251 
1 1 1  -21    7    8 o  550.820   5.8070 19296.08  382.461 19333.65  468.043 19220.56  663.503  551.687   6.6806  549.953   9.5003 1.733337 11.61409 
1 1 1  -21    7    9 o  224.652   4.3216  3303.20  112.220  3455.22  135.139  2965.50  201.417  233.249   4.5623  216.055   7.3410 17.19469 8.643172 
1 1 1  -21    7   10 o  328.725   4.1661  6635.93  155.001  6379.08  180.210  7366.21  303.866  316.930   4.4775  340.521   7.0268 -23.59140 8.332145 
1 1 1  -21    7   11 o  781.601   7.3004 38895.06  634.033 38961.72  736.385 38704.00  1246.64  783.108   7.4047  780.094   12.584 3.013428 14.60085 
1 1 1  -21    7   12 o  197.354   4.1829  2459.45  100.389  2424.26  124.662  2524.36  169.322  195.368   5.0246  199.339   6.6887 -3.970474 8.365747 
1 1 1  -21    7   13 o  449.142   5.0262 12813.46  286.685 12813.46  286.685   0.0000   0.0000  449.142   5.0262  ?   ?       ?      ? 
1 1 1  -21    7   14 o  390.256   4.4296  9696.49  200.298  9723.72  238.789  9631.85  367.904  391.243   4.8061  389.269   7.4423 1.973236 8.859228 
1 1 1  -21    7   15 o  452.304   4.8044 13104.23  249.261 13236.17  295.656 12779.95  463.487  456.400   5.1011  448.208   8.1429 8.192230 9.608760 
1 1 1  -21    7   16 o   87.346   7.9764  483.840   86.475  472.980  110.546  500.964  138.814   86.134   10.106   88.558   12.343 -2.424133 15.95272 
1 1 1  -21    7   17 o   92.194   7.9518  540.458   91.061  531.496  116.727  554.391  145.549   91.275   10.070   93.112   12.309 -1.837036 15.90358 
1 1 1  -21    7   18 o  136.804   5.4285  1190.06   92.233  1182.83  118.482  1201.17  146.939  136.321   6.8440  137.288   8.4281 -0.9670868 10.85693 
1 1 1  -21    7   19 o  222.106   4.3258  3118.86  118.244  3059.07  149.104  3220.18  194.104  219.312   5.3536  224.900   6.7962 -5.587555 8.651597 
1 1 1  -21    7   20 o  145.790   5.7331  1363.55  103.598  1394.74  133.605  1316.52  164.059  147.965   7.1103  143.615   8.9955 4.350006 11.46625 
1 1 1  -21    7   21 o  139.381   6.1718  1247.48  106.159  1271.47  135.764  1209.72  170.300  141.211   7.5707  137.551   9.7493 3.660614 12.34365 
1 1 1  -21    7   22 o   42.958   12.112   50.807   99.056   6.5476  127.978  116.946  156.446   36.993   15.690   48.922   18.455 -11.92881 24.22342 
1 1 1  -21    7   23 o  115.408   7.8478  813.171  111.359  695.626  137.952  1033.03  188.667  104.115   10.434  126.700   11.726 -22.58575 15.69570 
1 1 1  -21    7   24 o   44.038   12.863   36.734  108.578   13.635  129.927   90.215  197.697   37.646   15.879   50.431   20.240 -12.78440 25.72546 
1 1 1  -21    7   25 o  453.179   9.4483 13185.65  543.751   0.0000   0.0000 13185.65  543.751  ?   ?   453.179   9.4483      ?      ? 
1 1 1  -21    7   26 o  149.782   7.1878  1335.60  129.572  1126.97  155.813  1803.33  233.295  132.436   9.2644  167.127   10.992 -34.69095 14.37553 
1 1 1  -21    7   27 o   78.447   12.670  454.638  132.980  648.047  174.852  189.290  204.805   99.460   13.844   57.434   21.224 42.02553 25.33968 
1 1 1  -21    7   28 o   75.033   11.231  401.819   99.693  325.328  172.551  440.145  122.142   67.970   19.164   82.096   11.716 -14.12617 22.46121 
1 1 1  -21    7   29 o   48.937   12.456   90.189  103.567  282.310  174.953 -13.4567  128.502   63.006   19.695   34.869   15.256 28.13765 24.91243 
1 1 1  -21    7   30 o   24.858   8.7369 -301.8278  100.000 -365.2341  170.867 -268.7956  123.327   26.830   13.298   22.885   11.335 3.944424 17.47373 
1 1 1  -21    7   31 o   38.500   19.010 -751.7777  133.743 -542.7504  337.469 -790.7256  145.671   38.500   19.010  ?   ?       ?      ? 
1 1 1  -21    7   32 o   34.552   15.528 -21.4658  142.250   0.0000   0.0000 -21.4658  142.250  ?   ?    34.552   15.528      ?      ? 
1 1 1  -21    7   33 o   40.039   16.885   75.509  146.859   0.0000   0.0000   75.509  146.859  ?   ?    40.039   16.885      ?      ? 
1 1 1  -21    9    1 o  525.523   5.2704 17391.16  303.283 17243.10  348.728 17850.79  614.414  521.044   5.2703  530.002   9.1286 -8.957520 10.54079 
1 1 1  -21    9    2 o  564.185   5.5962 19845.80  340.186 19520.37  387.510 20939.42  710.372  554.378   5.5043  573.993   9.7454 -19.61548 11.19242 
1 1 1  -21    9    3 o  579.856   5.7038 21022.07  359.868 20710.67  411.922 22025.89  739.573  571.024   5.6804  588.687   9.8928 -17.66272 11.40767 
1 1 1  -21    9    4 o  153.946   4.3744  1437.76   80.253  1322.87   96.255  1699.74  145.348  144.320   5.2520  163.573   6.9971 -19.25363 8.748884 
1 1 1  -21    9    5 o  153.940   4.8632  1518.14   88.181  1540.06  106.798  1471.19  156.312  155.715   5.4008  152.165   8.0891 3.549515 9.726343 
1 1 1  -21    9    6 o  596.205   5.7797 22938.16  390.270 23381.80  460.302 21803.79  736.043  606.715   5.9742  585.695   9.8959 21.02008 11.55939 
1 1 1  -21    9    7 o  372.954   4.4596  8942.10  201.391  9204.29  251.613  8474.69  335.952  380.678   5.2047  365.229   7.2433 15.44891 8.919293 
1 1 1  -21    9    8 o  243.562   3.9287  3656.12  111.687  3495.77  132.456  4050.60  207.754  234.611   4.4457  252.512   6.4787 -17.90065 7.857388 
1 1 1  -21    9    9 o  353.137   4.2821  7758.63  173.599  7549.80  204.184  8303.33  329.758  344.773   4.6635  361.501   7.1830 -16.72775 8.564103 
1 1 1  -21    9   10 o  396.409   4.4589 10066.89  202.984 10180.89  241.022  9788.76  376.457  400.354   4.7406  392.465   7.5533 7.889526 8.917722 
1 1 1  -21    9   11 o  243.862   4.5418  3767.47  139.759  3680.39  186.428  3879.20  211.175  240.665   6.0999  247.059   6.7307 -6.394714 9.083579 
1 1 1  -21    9   12 o  375.003   4.3634  8947.19  189.077  8959.46  224.897  8917.58  349.199  375.523   4.7159  374.484   7.3428 1.039307 8.726812 
1 1 1  -21    9   13 o  236.455   4.0582  3559.33  113.725  3568.35  138.047  3540.28  200.620  236.972   4.5872  235.939   6.6957 1.033691 8.116388 
1 1 1  -21    9   14 o  205.527   4.3056  2662.37  108.055  2601.14  134.625  2773.26  181.159  202.278   5.2408  208.775   6.8329 -6.497879 8.611296 
1 1 1  -21    9   15 f  239.707   3.9802  3686.57  115.478  3765.11  143.901  3544.50  193.536  243.382   4.6558  236.031   6.4567 7.351181 7.960308 
1 1 1  -21    9   16 o  151.432   5.0027  1437.29   94.668  1341.92  121.788  1582.90  150.479  145.208   6.6044  157.656   7.5160 -12.44705 10.00545 
1 1 1  -21    9   17 o  172.789   4.7522  1898.27  102.514  1887.55  133.117  1913.90  160.702  172.231   6.0862  173.348   7.3001 -1.116882 9.504328 
1 1 1  -21    9   18 o  322.908   4.2546  6607.02  161.806  6558.78  194.892  6714.04  290.279  321.158   4.7786  324.657   7.0407 -3.499664 8.509147 
1 1 1  -21    9   19 o   52.868   11.686  168.053   88.239  111.088  115.558  247.720  136.658   44.792   16.030   60.944   17.010 -16.15152 23.37270 
1 1 1  -21    9   20 o  170.873   5.0974  1861.55  108.452  1860.84  140.217  1862.60  171.100  170.903   6.4606  170.843   7.8863 0.5952454E-01 10.19478 
1 1 1  -21    9   21 o  256.534   4.6188  4221.76  147.956  4352.19  194.128  4040.98  228.541  261.392   5.8481  251.676   7.1506 9.716095 9.237538 
1 1 1  -21    9   22 o   92.064   9.1342  549.519  106.294  571.621  145.422  524.166  155.753   94.149   12.163   89.979   13.631 4.169594 18.26835 
1 1 1  -21    9   23 o  120.405   8.8088  745.670  119.247  442.238  138.524  1614.01  234.336   82.622   13.202  158.187   11.665 -75.56437 17.61754 
1 1 1  -21    9   24 o   21.577   10.926 -658.1292  123.276 -518.6375  149.374 -956.0526  218.300   21.577   10.926  ?   ?       ?      ? 
1 1 1  -21    9   25 o   78.875   12.334  440.589  120.714  514.203  155.027  327.212  192.393   88.765   13.753   68.984   20.478 19.78090 24.66752 
1 1 1  -21    9   26 o   73.171   13.408  361.188  129.428  230.718  172.961  527.218  195.113   59.186   19.681   87.156   18.215 -27.97034 26.81683 
1 1 1  -21    9   27 o   53.082   13.577  155.859  120.058   81.201  160.390  250.999  181.058   45.368   18.222   60.796   20.133 -15.42830 27.15483 
1 1 1  -21    9   28 o   48.657   13.165  112.249  121.298  214.564  165.210  -7.4076  178.662   56.237   19.236   41.078   17.980 15.15885 26.33075 
1 1 1  -21    9   29 o   66.135   17.028  235.589  166.999  585.829  340.861  124.966  191.566   82.760   27.634   49.509   19.904 33.25101 34.05597 
1 1 1  -21    9   30 o   23.952   11.879 -293.2847  137.083   0.0000   0.0000 -293.2847  137.083  ?   ?    23.952   11.879      ?      ? 
1 1 1  -21    9   31 o   40.988   16.616   87.822  134.708   0.0000   0.0000   87.822  134.708  ?   ?    40.988   16.616      ?      ? 
1 1 1  -21   11    1 o  166.787   4.3281  1759.27   82.083  1748.89   96.422  1786.62  156.438  165.926   4.5760  167.649   7.3479 -1.723434 8.656290 
1 1 1  -21   11    2 o  801.809   7.4498 41272.66  666.663 41675.89  777.785 40156.14  1294.24  809.689   7.5642  793.929   12.837 15.76001 14.89967 
1 1 1  -21   11    3 o   99.856   6.2716  595.541   72.899  544.026   85.625  731.245  138.974   92.512   7.2883  107.200   10.208 -14.68739 12.54321 
1 1 1  -21   11    4 o  428.488   4.6079 11783.33  224.043 11927.55  264.059 11412.67  423.311  433.305   4.7988  423.671   7.8678 9.633545 9.215754 
1 1 1  -21   11    5 o  154.435   4.5922  1501.70   83.290  1479.16   99.894  1553.12  150.861  152.580   5.1554  156.291   7.6009 -3.710602 9.184359 
1 1 1  -21   11    6 o  345.441   4.1120  7690.58  163.994  7846.64  195.905  7325.11  299.785  351.446   4.3894  339.437   6.9546 12.00934 8.223993 
1 1 1  -21   11    7 o   42.898   9.3970  107.912   69.816  200.870   85.476 -78.4055  121.013   55.031   12.514   30.764   14.022 24.26737 18.79394 
1 1 1  -21   11    8 o  625.998   6.1415 24324.13  415.743 23781.91  473.757 26140.22  867.041  611.610   6.0996  640.387   10.662 -28.77649 12.28307 
1 1 1  -21   11    9 o  299.208   4.0337  5712.98  141.389  5747.11  170.113  5636.71  254.277  300.734   4.4543  297.683   6.7263 3.050446 8.067421 
1 1 1  -21   11   10 o  239.155   4.0198  3653.60  116.337  3693.03  144.531  3581.03  196.061  241.049   4.7215  237.261   6.5071 3.787857 8.039547 
1 1 1  -21   11   11 o  398.235   4.4933  9970.36  204.184  9822.39  239.887 10359.45  389.001  393.097   4.8054  403.373   7.5939 -10.27658 8.986636 
1 1 1  -21   11   12 o  387.165   4.4277  9533.02  199.097  9527.79  237.587  9545.34  364.865  387.140   4.8326  387.190   7.4204 -0.4940796E-01 8.855319 
1 1 1  -21   11   13 o  409.625   4.5306 10731.21  214.741 10808.97  256.073 10546.95  394.198  412.325   4.8904  406.924   7.6282 5.401764 9.061242 
1 1 1  -21   11   14 o  272.990   4.0595  4609.19  130.182  4408.35  155.198  5085.97  239.120  263.326   4.6410  282.654   6.6616 -19.32867 8.118917 
1 1 1  -21   11   15 o  169.232   4.6849  1801.88   97.737  1737.24  123.125  1912.01  160.706  165.228   5.8679  173.236   7.3049 -8.008423 9.369856 
1 1 1  -21   11   16 o   78.887   8.7606  391.343   86.640  351.993  112.118  449.674  136.506   74.093   11.916   83.680   12.846 -9.586418 17.52118 
1 1 1  -21   11   17 o  212.616   4.4388  2848.42  114.443  2778.88  141.318  2980.91  195.072  208.975   5.3251  216.257   7.1031 -7.282318 8.877502 
1 1 1  -21   11   18 o  286.040   4.2724  5289.79  147.744  5483.03  184.669  4946.14  246.265  293.552   4.9537  278.528   6.9624 15.02432 8.544821 
1 1 1  -21   11   19 o   76.666   10.441  391.134   97.531  372.826  130.783  414.074  146.394   74.709   14.306   78.624   15.212 -3.914749 20.88204 
1 1 1  -21   11   20 o  162.287   5.5435  1651.55  110.072  1570.71  136.801  1799.97  185.370  156.885   6.8664  167.689   8.7048 -10.80400 11.08696 
1 1 1  -21   11   21 f  164.584   7.7824  1653.75  158.381  1306.72  199.529  2244.82  260.404  142.449   11.030  186.718   10.982 -44.26866 15.56475 
1 1 1  -21   11   22 o   28.122   9.9288 -449.6390  125.568 -536.2119  157.468 -298.4582  208.090   22.315   11.290   33.928   16.336 -11.61274 19.85765 
1 1 1  -21   11   23 o   45.996   12.836   88.235  109.321  112.462  137.446   46.518  180.361   46.417   17.340   45.575   18.929 0.8416100 25.67103 
1 1 1  -21   11   24 o  100.474   9.4333  656.431  119.978  611.575  161.976  710.958  178.586   96.727   13.186  104.220   13.493 -7.493301 18.86663 
1 1 1  -21   11   25 o  125.341   7.6369  1004.12  119.833  795.139  159.404  1275.71  181.720  110.439   11.366  140.242   10.203 -29.80271 15.27380 
1 1 1  -21   11   26 o   40.105   13.101 -116.3415  151.348 -401.8626  298.909 -17.9039  175.510   39.857   19.286   40.353   17.738 -0.4954300 26.20216 
1 1 1  -21   11   27 o   59.995   17.085  185.840  152.639  284.395  405.345  169.555  164.767   68.264   28.367   51.725   19.051 16.53873 34.17053 
1 1 1  -21   11   28 o  216.556   8.3494  3358.97  213.179  2313.48  329.781  4109.45  279.405  182.936   14.195  250.176   8.7945 -67.24031 16.69889 
1 1 1  -21   11   29 o   39.930   12.989 -101.8530  161.424 -438.2325  286.425   54.721  195.414   35.913   17.691   43.946   19.024 -8.032715 25.97879 
1 1 1  -21   11   30 f   42.436   13.110   55.382  134.133   28.277  191.431   81.524  188.000   41.140   18.283   43.732   18.795 -2.592308 26.22021 
1 1 1  -21   13    1 o  158.522   4.4266  1593.99   81.055  1587.36   96.259  1610.13  150.270  158.021   4.7968  159.022   7.4411 -1.000839 8.853186 
1 1 1  -21   13    2 o  403.509   4.4823 10375.71  205.289 10396.29  241.375 10321.88  390.299  404.415   4.6999  402.603   7.6338 1.811707 8.964614 
1 1 1  -21   13    3 o  111.213   5.8709  753.772   76.009  706.810   89.654  873.799  143.329  105.388   6.6989  117.038   9.6434 -11.64980 11.74181 
1 1 1  -21   13    4 o   67.342   8.8925  297.217   70.485  300.442   86.959  291.041  120.352   68.615   9.9797   66.068   14.721 2.547043 17.78495 
1 1 1  -21   13    5 o  124.590   5.4764  1032.73   80.841  1131.43  100.856  855.354  135.201  133.366   5.9549  115.814   9.1926 17.55228 10.95287 
1 1 1  -21   13    6 o  286.065   6.7313  5208.43  244.534   0.0000   0.0000  5208.43  244.534  ?   ?   286.065   6.7313      ?      ? 
1 1 1  -21   13    7 o  199.727   4.0599  2487.28   97.782  2384.39  119.542  2695.32  169.980  193.659   4.8608  205.796   6.5041 -12.13658 8.119715 
1 1 1  -21   13    8 o  272.744   3.9819  4684.33  127.260  4610.59  152.334  4854.69  231.537  269.317   4.4540  276.171   6.6018 -6.854401 7.963824 
1 1 1  -21   13    9 o  238.038   4.0134  3601.94  114.219  3596.73  139.653  3612.48  198.505  237.853   4.6234  238.222   6.5616 -0.3693237 8.026882 
1 1 1  -21   13   10 o   50.712   10.821  155.531   74.135  118.540   93.072  219.737  122.620   43.870   14.430   57.555   16.129 -13.68522 21.64234 
1 1 1  -21   13   11 o  274.550   4.0257  4833.01  132.219  4908.08  162.467  4685.78  227.525  277.832   4.6047  271.269   6.6047 6.562927 8.051412 
1 1 1  -21   13   12 o  102.090   6.5765  666.514   83.531  669.651  107.973  661.839  131.828  102.451   8.2989  101.728   10.204 0.7229004 13.15299 
1 1 1  -21   13   13 o  383.581   4.4656  9281.58  198.073  9158.47  234.901  9584.47  368.460  379.450   4.8748  387.712   7.4835 -8.261810 8.931161 
1 1 1  -21   13   14 o  183.195   4.6417  2140.18  104.899  2146.11  133.477  2130.59  169.641  183.604   5.7246  182.787   7.3082 0.8166809 9.283370 
1 1 1  -21   13   15 o   52.582   11.734  177.149   86.704  174.078  113.205  181.507  134.851   51.674   15.792   53.490   17.359 -1.816601 23.46732 
1 1 1  -21   13   16 o  210.973   4.5160  2864.68  117.133  2952.51  149.390  2724.50  188.721  215.323   5.4633  206.622   7.1923 8.701202 9.031947 
1 1 1  -21   13   17 o  163.500   5.4940  1739.78  108.256  1815.51  135.145  1604.17  180.842  168.735   6.3069  158.265   8.9978 10.47061 10.98807 
1 1 1  -21   13   18 o   72.222   11.990  289.295  101.059  195.931  117.639  552.262  197.430   54.263   15.988   90.180   17.871 -35.91742 23.97927 
1 1 1  -21   13   19 o  303.745   6.3795  6380.97  211.288 10348.98  304.638  2702.93  293.296  402.811   5.9553  204.678   11.284 198.1338 12.75897 
1 1 1  -21   13   20 o  150.615   6.5146  1394.42  119.219  1257.43  145.710  1671.85  207.355  140.086   8.1906  161.143   10.133 -21.05713 13.02914 
1 1 1  -21   13   21 o   76.412   11.394  400.001  107.906  442.993  143.105  343.345  164.281   82.359   13.683   70.466   18.223 11.89291 22.78769 
1 1 1  -21   13   22 o  152.792   6.3585  1520.66  121.373  1616.46  161.184  1395.20  184.456  158.641   8.0007  146.943   9.8848 11.69771 12.71692 
1 1 1  -21   13   23 o   56.306   12.820  211.120  110.042  293.848  147.678  107.840  165.005   64.775   17.527   47.837   18.715 16.93819 25.64061 
1 1 1  -21   13   24 o   51.698   14.849  122.274  137.615   55.241  289.023  141.927  156.493   53.883   23.231   49.513   18.502 4.369774 29.69840 
1 1 1  -21   13   25 o  124.239   11.224  1043.33  156.121  1113.91  304.651  1018.19  181.808  124.686   19.240  123.792   11.565 0.8938217 22.44839 
1 1 1  -21   13   26 o  206.656   7.6286  2631.90  184.559  1500.05  231.646  4599.11  305.392  148.907   12.250  264.404   9.0952 -115.4971 15.25718 
1 1 1  -21   13   27 o   51.905   13.491   58.480  143.665  426.431  219.590 -216.8758  189.961   71.442   22.021   32.367   15.590 39.07469 26.98116 
1 1 1  -21   13   28 o   47.726   13.661  145.479  130.249   88.476  201.383  186.472  170.778   45.174   19.434   50.279   19.206 -5.105202 27.32292 
1 1 1  -21   15    1 o  357.860   4.3404  7938.61  174.375  7705.29  202.202  8615.64  344.440  348.089   4.5742  367.630   7.3778 -19.54144 8.680723 
1 1 1  -21   15    2 o  216.650   4.2723  3024.68  106.713  3077.11  127.270  2900.56  195.828  219.974   4.5559  213.327   7.2286 6.646957 8.544514 
1 1 1  -21   15    3 o  339.944   4.5728  7348.90  197.408  7348.90  197.408   0.0000   0.0000  339.944   4.5728  ?   ?       ?      ? 
1 1 1  -21   15    4 o  354.649   4.3552  7970.22  177.305  7919.34  209.561  8098.38  332.616  352.876   4.6764  356.423   7.3485 -3.546661 8.710319 
1 1 1  -21   15    5 o  132.452   5.6527  1134.74   88.644  1163.68  108.186  1075.64  154.627  135.176   6.3022  129.728   9.3858 5.447693 11.30541 
1 1 1  -21   15    6 o  160.162   4.8291  1541.26   93.015  1366.69  112.115  1926.74  166.603  146.507   6.0260  173.817   7.5476 -27.31029 9.658120 
1 1 1  -21   15    7 o  250.182   4.2084  4015.86  123.941  4068.07  149.995  3903.49  220.053  252.899   4.6704  247.465   7.0022 5.433914 8.416864 
1 1 1  -21   15    8 o  425.662   4.7564 11390.16  229.158 11205.27  267.817 11895.53  442.775  419.650   5.0254  431.675   8.0770 -12.02515 9.512746 
1 1 1  -21   15    9 o   95.552   7.3640  571.547   85.915  538.402  106.312  633.946  145.869   91.754   9.1238   99.349   11.562 -7.594810 14.72810 
1 1 1  -21   15   10 o  198.779   4.4811  2518.96  105.840  2520.52  128.733  2515.72  185.931  199.002   5.0939  198.556   7.3738 0.4460907 8.962197 
1 1 1  -21   15   11 o  166.523   4.9720  1745.94  101.341  1685.28  126.366  1855.27  169.645  162.620   6.1190  170.427   7.8384 -7.806488 9.943935 
1 1 1  -21   15   12 o  120.138   6.3295  887.936   93.927  779.310  117.387  1081.25  156.596  110.386   8.3739  129.890   9.4935 -19.50414 12.65894 
1 1 1  -21   15   13 o  104.526   7.3538  723.691   91.840  774.377  114.612  632.755  153.516  110.030   8.2024   99.022   12.208 11.00747 14.70763 
1 1 1  -21   15   14 o  125.370   7.1234  855.780  102.470  675.041  117.938  1412.41  206.972  102.625   9.0495  148.115   11.004 -45.48977 14.24689 
1 1 1  -21   15   15 o  443.454   5.3255 13391.40  269.924 14747.84  328.405 10566.99  473.885  481.078   5.3755  405.829   9.1950 75.24908 10.65099 
1 1 1  -21   15   16 o   33.077   15.840 -382.2344   98.431 -430.2837  115.136 -251.7472  189.737  ?   ?    33.077   15.840      ?      ? 
1 1 1  -21   15   17 o   73.291   11.874  343.000  107.343  242.699  135.574  511.523  175.733   59.796   17.032   86.786   16.549 -26.99044 23.74754 
1 1 1  -21   15   18 o   96.229   8.6667  590.258  104.737  525.553  136.301  683.554  163.666   89.973   11.929  102.485   12.575 -12.51202 17.33334 
1 1 1  -21   15   19 o  117.274   7.7040  885.472  113.788  842.503  150.112  943.512  174.462  114.074   10.362  120.474   11.403 -6.400063 15.40805 
1 1 1  -21   15   20 o   44.362   12.490   73.820  106.276   31.894  143.830  124.235  157.722   40.131   16.806   48.592   18.482 -8.460705 24.98014 
1 1 1  -21   15   21 o   50.210   13.774   98.777  120.824  234.375  212.779   34.247  146.785   60.053   21.720   40.368   16.945 19.68442 27.54766 
1 1 1  -21   15   22 o   81.397   13.610  465.821  131.397  549.866  233.219  426.737  159.041   85.418   21.512   77.376   16.677 8.041931 27.21934 
1 1 1  -21   15   23 o   26.924   9.4291 -368.9712  121.432 -269.7580  167.527 -478.8074  176.267   28.769   14.038   25.079   12.593 3.690191 18.85814 
1 1 1  -21   15   24 f   26.635   9.4514 -512.5977  139.697 -586.2285  205.984 -449.8882  190.095   26.296   13.257   26.974   13.475 -0.6778450 18.90286 
1 1 1  -21   15   25 o   67.801   14.572  391.967  140.771  290.085  229.946  453.039  178.031   59.813   22.412   75.790   18.629 -15.97655 29.14360 
1 1 1  -21   15   26 o   76.547   21.515  516.499  217.837  516.499  217.837   0.0000   0.0000   76.547   21.515  ?   ?       ?      ? 
1 1 1  -21   17    1 o  315.378   4.6268  6439.00  174.868  6641.34  216.233  6056.54  297.284  322.908   5.2731  307.848   7.6043 15.05981 9.253667 
1 1 1  -21   17    2 o  113.107   7.2831  842.232   91.278  865.099  106.652  779.619  176.480  116.386   7.2159  109.829   12.653 6.556709 14.56617 
1 1 1  -21   17    3 o  111.677   7.1452  833.297   91.601  883.508  110.348  722.020  164.273  117.600   7.3889  105.753   12.232 11.84714 14.29045 
1 1 1  -21   17    4 o  180.594   5.1806  2101.22  113.018  2143.14  140.508  2024.40  190.218  183.342   6.0348  177.846   8.4223 5.495773 10.36115 
1 1 1  -21   17    5 o  161.213   5.7845  1728.73  106.344  1824.33  127.327  1508.24  193.374  169.165   5.9270  153.261   9.9355 15.90384 11.56905 
1 1 1  -21   17    6 o   97.034   7.8665  543.327   91.253  427.008  108.901  817.541  167.206   81.485   10.524  112.582   11.695 -31.09733 15.73296 
1 1 1  -21   17    7 o  139.333   6.8591  1286.28  112.100  1360.29  137.079  1136.86  194.775  145.898   7.3985  132.769   11.552 13.12871 13.71819 
1 1 1  -21   17    8 f  358.402   7.9204  8218.77  360.492   0.0000   0.0000  8218.77  360.492  ?   ?   358.402   7.9204      ?      ? 
1 1 1  -21   17    9 o  145.410   10.207  1360.46  188.475   0.0000   0.0000  1360.46  188.475  ?   ?   145.410   10.207      ?      ? 
1 1 1  -21   17   10 o   29.669   14.432 -414.0087   92.554 -461.6785  109.467 -294.4915  173.331  ?   ?    29.669   14.432      ?      ? 
1 1 1  -21   17   11 o  239.702   4.7397  3608.09  135.624  3492.84  164.442  3853.24  239.833  234.051   5.5325  245.353   7.6973 -11.30180 9.479335 
1 1 1  -21   17   12 o   76.518   11.685  369.208  104.947  306.110  126.775  506.598  187.072   67.059   15.233   85.977   17.723 -18.91738 23.36998 
1 1 1  -21   17   13 o  199.404   5.2517  2477.28  127.068  2325.58  155.903  2777.46  219.313  190.768   6.4353  208.040   8.3012 -17.27208 10.50348 
1 1 1  -21   17   14 o  347.515   4.6375  7840.37  195.192  8135.88  244.639  7322.67  323.799  357.071   5.3950  337.960   7.5445 19.11090 9.275043 
1 1 1  -21   17   15 o   61.186   12.591  239.063  104.609  159.952  134.051  362.266  167.287   50.439   17.325   71.934   18.276 -21.49477 25.18293 
1 1 1  -21   17   16 o   36.406   11.312 -23.8730   99.104 -38.4608  128.526  -2.4801  155.643   33.551   14.941   39.261   16.987 -5.709599 22.62314 
1 1 1  -21   17   17 o  150.410   6.1323  1397.62  112.960  1232.28  139.269  1715.55  193.120  138.223   7.9341  162.598   9.3526 -24.37535 12.26464 
1 1 1  -21   17   18 o  230.270   5.5501  3421.58  161.894  3519.81  238.815  3338.05  220.219  233.208   8.0638  227.333   7.6281 5.874847 11.10013 
1 1 1  -21   17   19 o   46.030   13.416   64.986  128.114  155.109  193.866  -4.8830  170.698   52.092   20.312   39.967   17.532 12.12551 26.83165 
1 1 1  -21   17   20 o   90.633   12.755  590.144  151.770  214.179  201.329  1085.03  230.984   56.003   20.974  125.262   14.521 -69.25874 25.50983 
1 1 1  -21   17   21 o   48.734   13.567  101.812  136.089 -68.0950  193.811  267.059  191.134   38.361   17.583   59.106   20.666 -20.74543 27.13367 
1 1 1  -21   17   22 o   54.204   14.608  191.593  132.751  325.796  233.793  127.736  161.271   62.318   22.732   46.090   18.354 16.22725 29.21659 
1 1 1  -21   17   23 o   42.267   13.096   44.089  132.894  106.906  205.255  -1.2500  174.379   46.186   19.738   38.348   17.216 7.838154 26.19126 
1 1 1  -21   19    1 o  237.712   4.9922  3614.41  138.585  3607.39  166.069  3630.50  251.516  237.732   5.5008  237.691   8.3325 0.4054260E-01 9.984439 
1 1 1  -21   19    2 o  213.171   5.0867  2831.58  125.742  2722.27  148.621  3106.92  235.875  206.487   5.6678  219.855   8.4483 -13.36774 10.17335 
1 1 1  -21   19    3 o   71.938   12.387  356.287  101.806  357.901  117.895  351.552  201.878   72.951   13.212   70.925   20.958 2.025520 24.77499 
1 1 1  -21   19    4 o  104.011   8.9179  703.860  107.791  700.556  128.747  711.603  197.111  104.175   9.7318  103.846   14.947 0.3298340 17.83571 
1 1 1  -21   19    5 o  206.993   5.2304  2697.21  127.675  2615.69  153.190  2882.65  231.043  202.318   5.9624  211.668   8.5952 -9.350189 10.46079 
1 1 1  -21   19    6 o  196.915   5.2767  2441.55  122.376  2367.61  146.674  2610.93  221.996  192.456   6.0013  201.374   8.6809 -8.917694 10.55333 
1 1 1  -21   19    7 o  128.270   6.5285  1064.92  102.744  1074.12  129.942  1049.57  167.825  129.286   7.9144  127.254   10.385 2.032089 13.05703 
1 1 1  -21   19    8 o   98.708   8.8239  595.312  105.419  506.590  127.677  785.360  186.865   88.177   11.402  109.240   13.470 -21.06370 17.64783 
1 1 1  -21   19    9 o   61.504   12.527  271.599  103.970  314.031  129.562  194.850  174.245   67.373   15.470   55.635   19.708 11.73751 25.05413 
1 1 1  -21   19   10 o  131.521   7.2359  1104.71  115.476  1058.27  142.284  1194.34  197.657  127.964   8.7557  135.079   11.523 -7.115059 14.47176 
1 1 1  -21   19   11 o   32.336   10.695 -123.9364  105.343 -125.3150  133.175 -121.6319  172.185   29.625   13.913   35.047   16.245 -5.421352 21.38926 
1 1 1  -21   19   12 o   51.315   12.857  168.612  106.895  211.177  137.317  103.145  170.297   55.244   17.474   47.386   18.863 7.857845 25.71343 
1 1 1  -21   19   13 o  116.445   7.1587  881.245  105.301  818.486  140.375  962.003  159.237  111.829   9.8846  121.060   10.358 -9.231567 14.31738 
1 1 1  -21   19   14 o   95.344   12.162  708.829  136.848  343.100  203.374  1011.45  184.995   67.511   21.256  123.177   11.826 -55.66631 24.32445 
1 1 1  -21   19   15 o   60.654   13.947  267.472  143.795  427.808  183.478   12.198  231.512   75.312   19.143   45.996   20.289 29.31570 27.89460 
1 1 1  -21   19   16 o  132.886   11.790  1673.27  177.479  3055.14  242.170   69.883  260.858  215.558   8.8466   50.213   21.858 165.3452 23.58074 
1 1 1  -21   19   17 o   86.403   12.724  568.328  135.129  505.997  191.699  629.886  190.508   80.731   19.012   92.075   16.916 -11.34443 25.44846 
1 1 1  -21   19   18 o   92.105   11.913  638.006  135.655  605.271  198.270  666.817  186.008   88.210   18.299   96.001   15.257 -7.790886 23.82545 
1 1 1  -21   19   19 o   53.520   13.615  216.245  129.317   68.946  192.221  338.030  174.783   43.477   18.844   63.563   19.655 -20.08596 27.22957 
1 1 1  -21   19   20 o   48.141   13.851  163.817  134.615  106.821  210.845  203.037  174.902   45.662   19.764   50.620   19.412 -4.958729 27.70282 
1 1 1  -21   21    1 o  225.498   5.9350  3207.88  156.986  3039.82  186.803  3611.92  289.645  216.839   6.7837  234.156   9.7405 -17.31667 11.87001 
1 1 1  -21   21    2 o   61.074   14.373  225.245  112.113  176.371  126.355  406.117  243.075   50.419   16.825   71.730   23.307 -21.31129 28.74523 
1 1 1  -21   21    3 o  204.128   6.7341  2829.30  150.368  2927.55  175.237  2554.96  292.820  212.965   6.4795  195.291   11.807 17.67419 13.46814 
1 1 1  -21   21    4 o   59.984   14.076  255.170  116.365  244.353  136.551  283.860  222.379   57.885   17.268   62.082   22.235 -4.197506 28.15259 
1 1 1  -21   21    5 o   99.918   12.476  813.951  133.496  947.415  160.551  514.981  240.295  119.430   10.586   80.406   22.596 39.02360 24.95230 
1 1 1  -21   21    6 o   41.251   19.375 -664.2703  134.090 -847.8000  156.873 -166.4710  258.358  ?   ?    41.251   19.375      ?      ? 
1 1 1  -21   21    7 o  246.410   6.1128  4012.99  167.121  4048.81  194.707  3912.76  325.703  250.466   6.1215  242.354   10.583 8.111725 12.22557 
1 1 1  -21   21    8 o   47.007   21.251 -20.8035  271.034   0.0000   0.0000 -20.8035  271.034  ?   ?    47.007   21.251      ?      ? 
1 1 1  -21   21    9 o   69.645   11.670  227.482  118.085   13.140  139.917  758.122  220.148   36.976   16.052  102.315   16.943 -65.33954 23.33973 
1 1 1  -21   21   10 o   37.147   11.802 -15.0991  102.221 -22.3734  118.527   6.0170  201.944   32.035   14.301   42.258   18.779 -10.22263 23.60445 
1 1 1  -21   21   11 o   66.018   13.556  347.417  120.538  363.538  165.403  329.159  176.027   67.962   18.616   64.074   19.711 3.887749 27.11200 
1 1 1  -21   21   12 o   51.007   13.990  138.881  135.320  329.175  212.685   9.4563  175.401   62.487   21.802   39.528   17.537 22.95861 27.97990 
1 1 1  -21   21   13 o   89.067   12.245  614.824  132.855  623.557  198.764  607.771  178.616   88.763   18.243   89.371   16.340 -0.6079330 24.49079 
1 1 1  -21   21   14 o   48.267   13.576  155.883  130.351   55.121  193.281  239.946  176.542   42.416   18.630   54.119   19.752 -11.70229 27.15152 
1 1 1  -21   21   15 o   65.482   21.110  391.928  199.675  391.928  199.675   0.0000   0.0000   65.482   21.110  ?   ?       ?      ? 
1 1 1  -20    0    1 o  734.924   5.9271 34322.05  782.075 34322.05  782.075 34322.05  782.075  734.924   8.3822  734.924   8.3822 -0.000000 0.000000 
1 1 1  -20    0    2 o  1028.42   11.464 67306.23  2116.26 67306.23  2116.26 67306.23  2116.26  1028.42   16.213  1028.42   16.213 -0.000000 0.000000 
1 1 1  -20    0    3 o  649.589   5.3177 26812.50  620.194 26812.50  620.194 26812.50  620.194  649.589   7.5204  649.589   7.5204 -0.000000 0.000000 
1 1 1  -20    0    4 o  1160.45   9.1036 85617.67  1896.75 85617.67  1896.75 85617.67  1896.75  1160.45   12.874  1160.45   12.874 -0.000000 0.000000 
1 1 1  -20    0    5 o  190.162   3.0962  2300.01  105.615  2300.01  105.615  2300.01  105.615  190.162   4.3787  190.162   4.3787 -0.000000 0.000000 
1 1 1  -20    0    6 o  471.099   4.1272 14101.11  349.065 14101.11  349.065 14101.11  349.065  471.099   5.8367  471.099   5.8367 -0.000000 0.000000 
1 1 1  -20    0    7 o  588.774   4.9237 22026.33  520.465 22026.33  520.465 22026.33  520.465  588.774   6.9631  588.774   6.9631 -0.000000 0.000000 
1 1 1  -20    0    8 o  1144.38   8.9953 83258.53  1848.22 83258.53  1848.22 83258.53  1848.22  1144.38   12.721  1144.38   12.721 -0.000000 0.000000 
1 1 1  -20    0    9 o  292.626   3.5648  5442.73  187.219  5442.73  187.219  5442.73  187.219  292.626   5.0414  292.626   5.0414 -0.000000 0.000000 
1 1 1  -20    0   10 o  365.441   3.8387  8486.59  251.810  8486.59  251.810  8486.59  251.810  365.441   5.4287  365.441   5.4287 -0.000000 0.000000 
1 1 1  -20    0   11 o  150.801   5.1210  1454.28  137.963  1454.28  137.963  1454.28  137.963  150.801   7.2422  150.801   7.2422 -0.000000 0.000000 
1 1 1  -20    0   12 o  572.894   5.0214 20854.10  516.469 20854.10  516.469 20854.10  516.469  572.894   7.1014  572.894   7.1014 -0.000000 0.000000 
1 1 1  -20    0   13 o   29.286   13.462 -13.9820  170.017 -13.9820  170.017 -13.9820  170.017   29.286   19.037   29.286   19.037 -0.000000 0.000000 
1 1 1  -20    0   14 o  749.869   6.3151 35732.43  850.192 35732.43  850.192 35732.43  850.192  749.869   8.9308  749.869   8.9308 -0.000000 0.000000 
1 1 1  -20    0   15 o  298.165   4.7152  5654.63  252.207  5654.63  252.207  5654.63  252.207  298.165   6.6683  298.165   6.6683 -0.000000 0.000000 
1 1 1  -20    0   16 o  110.905   9.8893  818.260  188.461  818.260  188.461  818.260  188.461  110.905   13.986  110.905   13.986 -0.000000 0.000000 
1 1 1  -20    0   17 o   93.837   12.312  614.400  186.498  614.400  186.498  614.400  186.498   93.837   17.412   93.837   17.412 -0.000000 0.000000 
1 1 1  -20    0   18 o  395.947   4.7371  9967.40  336.637  9967.40  336.637  9967.40  336.637  395.947   6.6993  395.947   6.6993 -0.000000 0.000000 
1 1 1  -20    0   19 o  286.612   4.9372  5229.33  253.797  5229.33  253.797  5229.33  253.797  286.612   6.9823  286.612   6.9823 -0.000000 0.000000 
1 1 1  -20    0   20 o  179.115   6.7141  2058.24  214.591  2058.24  214.591  2058.24  214.591  179.115   9.4951  179.115   9.4951 -0.000000 0.000000 
1 1 1  -20    0   21 o  578.685   5.0233 21300.13  521.884 21300.13  521.884 21300.13  521.884  578.685   7.1040  578.685   7.1040 -0.000000 0.000000 
1 1 1  -20    0   22 o   21.688   10.364 -56.3211  118.256 -56.3211  118.256 -56.3211  118.256   21.688   14.657   21.688   14.657 -0.000000 0.000000 
1 1 1  -20    0   23 o  191.045   4.3430  2327.57  148.663  2327.57  148.663  2327.57  148.663  191.045   6.1420  191.045   6.1420 -0.000000 0.000000 
1 1 1  -20    0   24 o   35.460   13.516  115.218  119.485  115.218  119.485  115.218  119.485   35.460   19.115   35.460   19.115 -0.000000 0.000000 
1 1 1  -20    0   25 o   23.955   11.055 -11.7160  116.320 -11.7160  116.320 -11.7160  116.320   23.955   15.635   23.955   15.635 -0.000000 0.000000 
1 1 1  -20    0   26 o   48.361   15.186  218.083  139.406  218.083  139.406  218.083  139.406   48.361   21.476   48.361   21.476 -0.000000 0.000000 
1 1 1  -20    0   27 o  122.900   7.1841  984.265  156.074  984.265  156.074  984.265  156.074  122.900   10.160  122.900   10.160 -0.000000 0.000000 
1 1 1  -20    0   28 f   39.004   14.921  141.993  146.092  141.993  146.092  141.993  146.092   39.004   21.101   39.004   21.101 -0.000000 0.000000 
1 1 1  -20    0   29 o   66.558   14.951  362.654  157.314  362.654  157.314  362.654  157.314   66.558   21.145   66.558   21.145 -0.000000 0.000000 
1 1 1  -20    0   30 o   47.915   15.691  221.716  149.191  221.716  149.191  221.716  149.191   47.915   22.190   47.915   22.190 -0.000000 0.000000 
1 1 1  -20    0   31 o   31.164   13.817   45.461  160.425   45.461  160.425   45.461  160.425   31.164   19.540   31.164   19.540 -0.000000 0.000000 
1 1 1  -20    0   32 o   22.442   10.789 -61.8039  132.081 -61.8039  132.081 -61.8039  132.081   22.442   15.258   22.442   15.258 -0.000000 0.000000 
1 1 1  -20    0   33 o   51.288   15.795  261.796  150.908  261.796  150.908  261.796  150.908   51.288   22.337   51.288   22.337 -0.000000 0.000000 
1 1 1  -20    0   34 o   19.502   9.7827 -165.3653  144.232 -165.3653  144.232 -165.3653  144.232   19.502   13.835   19.502   13.835 -0.000000 0.000000 
1 1 1  -20    2    1 o  110.507   4.6114  807.229   56.749  844.862   66.798  709.617  107.582  115.337   4.5606  105.677   8.0164 9.659515 9.222869 
1 1 1  -20    2    2 o  261.382   3.7536  4387.27  115.741  4471.79  140.535  4209.09  204.052  265.353   4.1705  257.410   6.2422 7.943298 7.507179 
1 1 1  -20    2    3 o  525.371   4.4634 17529.20  297.710 17351.54  415.458 17716.71  426.824  522.637   6.2596  528.104   6.3643 -5.466980 8.926786 
1 1 1  -20    2    4 o  462.752   5.7579 13602.05  338.367   0.0000   0.0000 13602.05  338.367  ?   ?   462.752   5.7579      ?      ? 
1 1 1  -20    2    5 o  181.923   4.1822  2101.88   96.620  2101.88   96.620   0.0000   0.0000  181.923   4.1822  ?   ?       ?      ? 
1 1 1  -20    2    6 o  338.727   3.3904  7275.53  145.663  7063.90  200.139  7513.89  212.406  333.500   4.7256  343.955   4.8628 -10.45587 6.780733 
1 1 1  -20    2    7 o  142.728   3.7195  1294.96   67.310  1383.56   95.426  1207.23   94.958  147.592   5.0913  137.864   5.4238 9.727921 7.438984 
1 1 1  -20    2    8 o  738.101   6.0101 34614.78  563.282 34350.23  789.779 34888.68  803.602  735.233   8.4587  740.968   8.5401 -5.734619 12.02011 
1 1 1  -20    2    9 o  319.243   5.0485  6473.00  204.674  6473.00  204.674   0.0000   0.0000  319.243   5.0485  ?   ?       ?      ? 
1 1 1  -20    2   10 f  213.990   3.8745  2906.74  105.256  2810.72  146.969  3007.86  150.816  210.364   5.5014  217.617   5.4573 -7.252792 7.749065 
1 1 1  -20    2   11 o  498.652   4.5486 15792.29  287.910 15723.32  400.846 15865.79  413.795  497.530   6.3443  499.774   6.5198 -2.243896 9.097114 
1 1 1  -20    2   12 o  842.697   6.8614 45129.05  734.276 45263.96  1036.74 44993.26  1040.11  843.963   9.6732  841.431   9.7339 2.531860 13.72290 
1 1 1  -20    2   13 o  221.960   4.9085  3125.27  138.258  3282.10  199.624  2980.69  191.671  227.305   6.9155  216.615   6.9677 10.68945 9.816996 
1 1 1  -20    2   14 o  483.465   4.9123 14851.29  301.517 15010.57  423.051 14686.84  429.851  486.103   6.8531  480.826   7.0397 5.276367 9.824544 
1 1 1  -20    2   15 o  256.782   4.8649  4160.12  158.096  4575.82  235.421  3818.66  213.366  268.386   6.9073  245.178   6.8527 23.20734 9.729897 
1 1 1  -20    2   16 o  327.090   4.5557  6787.36  189.000  6968.77  275.541  6626.17  259.731  331.210   6.5510  322.971   6.3326 8.239319 9.111367 
1 1 1  -20    2   17 o  251.368   7.1342  4014.88  227.737  4014.88  227.737   0.0000   0.0000  251.368   7.1342  ?   ?       ?      ? 
1 1 1  -20    2   18 o  352.201   4.6803  7917.77  189.234  7963.39  224.323  7805.20  352.391  354.042   4.9893  350.360   7.9201 3.681946 9.360656 
1 1 1  -20    2   19 o   79.412   11.213  430.854   95.536  449.717  110.040  373.112  192.528   84.000   10.316   74.824   19.912 9.175720 22.42506 
1 1 1  -20    2   20 o  166.413   5.6803  1719.46  110.279  1655.69  130.936  1875.08  204.559  161.328   6.3910  171.498   9.3925 -10.17010 11.36066 
1 1 1  -20    2   21 o  108.988   7.8648  713.884   99.225  655.959  116.187  869.971  190.725  101.425   9.0205  116.549   12.886 -15.12399 15.72959 
1 1 1  -20    2   22 o  237.975   4.8599  3628.30  136.643  3667.73  165.790  3544.77  241.287  240.129   5.4367  235.822   8.0570 4.306824 9.719716 
1 1 1  -20    2   23 o  255.753   3.8642  4154.58  125.095  4246.57  185.385  4077.68  169.503  258.329   5.6510  253.176   5.2720 5.153473 7.728368 
1 1 1  -20    2   24 o  132.373   5.6370  1118.26   94.424  1117.21  139.475  1119.14  128.296  132.288   8.3023  132.458   7.6271 -0.1697998 11.27390 
1 1 1  -20    2   25 o  165.959   5.0183  1757.92  105.638  1737.22  152.656  1776.94  146.334  165.000   7.2854  166.917   6.9035 -1.917450 10.03665 
1 1 1  -20    2   26 o   64.049   11.540  278.433   94.022  285.872  128.422  269.839  138.033   64.974   15.732   63.125   16.888 1.848751 23.08046 
1 1 1  -20    2   27 o  425.827   6.2155 11567.95  336.113   0.0000   0.0000 11567.95  336.113  ?   ?   425.827   6.2155      ?      ? 
1 1 1  -20    2   28 o   47.168   12.472  103.177  104.785  180.620  148.024   25.391  148.353   53.684   18.209   40.651   17.048 13.03364 24.94375 
1 1 1  -20    2   29 o   49.370   12.976  133.082  109.033   88.449  171.492  163.366  141.260   47.369   18.907   51.370   17.777 -4.000935 25.95157 
1 1 1  -20    2   30 o  158.393   6.1050  1645.43  120.680  1379.35  177.154  1875.82  164.845  145.963   9.5571  170.822   7.5990 -24.85912 12.20996 
1 1 1  -20    2   31 o   45.436   12.094   66.779  113.334 -154.8904  175.207  226.262  148.613   33.909   15.936   56.963   18.196 -23.05310 24.18786 
1 1 1  -20    2   32 o   20.563   7.3594 -442.5586   94.939 -457.8389  138.495 -429.0127  130.398   20.839   10.548   20.287   10.265 0.5519466 14.71888 
1 1 1  -20    2   33 o   27.960   9.5152 -177.7219   99.913 -141.6468  140.020 -215.1463  142.614   29.074   13.836   26.845   13.066 2.229055 19.03041 
1 1 1  -20    2   34 o   47.956   12.515  125.537  110.534  303.838  168.505  -9.1300  146.443   60.525   19.380   35.388   15.840 25.13685 25.02971 
1 1 1  -20    4    1 o  1089.05   8.5691 75382.28  1184.57 76905.65  1706.61 73965.97  1645.54  1099.64   12.221  1078.45   12.015 21.19214 17.13819 
1 1 1  -20    4    2 o  747.010   7.3401 35753.56  664.463 36435.30  828.646 34525.72  1112.07  757.200   8.6175  736.820   11.885 20.37982 14.68024 
1 1 1  -20    4    3 o  631.883   5.2295 25277.19  418.638 26648.17  618.606 24118.76  568.634  647.628   7.5216  616.138   7.2674 31.48950 10.45892 
1 1 1  -20    4    4 o  545.362   6.5543 18893.88  453.932 18893.88  453.932   0.0000   0.0000  545.362   6.5543  ?   ?       ?      ? 
1 1 1  -20    4    5 f  662.648   5.4703 27899.92  460.319 27989.85  649.072 27808.93  652.925  663.724   7.7007  661.571   7.7716 2.152527 10.94064 
1 1 1  -20    4    6 o  261.734   3.3455  4354.97  111.076  4464.72  154.754  4238.36  159.524  265.140   4.5961  258.328   4.8627 6.812073 6.691038 
1 1 1  -20    4    7 o  201.443   3.5880  2574.97   91.716  2723.00  131.715  2435.64  127.787  207.059   5.0091  195.827   5.1385 11.23135 7.176058 
1 1 1  -20    4    8 o  504.866   4.5230 16175.75  289.531 15932.12  397.167 16452.06  422.969  500.817   6.2448  508.914   6.5446 -8.096863 9.045963 
1 1 1  -20    4    9 o  427.497   4.1787 11614.36  226.477 11725.49  312.215 11490.94  329.018  429.660   5.7220  425.333   6.0913 4.327789 8.357404 
1 1 1  -20    4   10 o  434.610   4.2566 11988.46  234.557 11846.59  321.879 12149.11  342.510  431.874   5.8689  437.346   6.1669 -5.472504 8.513250 
1 1 1  -20    4   11 o  1150.88   12.977 84229.83  1896.66   0.0000   0.0000 84229.83  1896.66  ?   ?   1150.88   12.977      ?      ? 
1 1 1  -20    4   12 o  517.651   5.0183 17015.17  329.064 16924.66  449.136 17120.05  483.494  516.173   6.8518  519.128   7.3340 -2.954956 10.03665 
1 1 1  -20    4   13 o  628.099   7.8020 25064.35  622.315 25064.35  622.315   0.0000   0.0000  628.099   7.8020  ?   ?       ?      ? 
1 1 1  -20    4   14 o  723.128   6.8335 33536.38  556.978 33899.50  653.588 32573.19  1064.48  730.496   7.0454  715.759   11.711 14.73730 13.66693 
1 1 1  -20    4   15 o  270.813   4.1913  4719.12  134.516  4832.48  164.199  4487.78  234.564  275.842   4.6874  265.785   6.9495 10.05707 8.382554 
1 1 1  -20    4   16 f  395.053   5.0820  9801.00  248.648  9420.26  315.493 10425.24  403.970  385.070   6.4517  405.037   7.8537 -19.96686 10.16392 
1 1 1  -20    4   17 o  510.050   5.2468 16679.17  305.147 16864.81  360.641 16211.32  572.523  515.213   5.5120  504.888   8.9294 10.32578 10.49361 
1 1 1  -20    4   18 o  209.217   4.6604  2741.36  114.809  2674.30  137.696  2894.28  207.952  205.135   5.2857  213.300   7.6770 -8.165314 9.320719 
1 1 1  -20    4   19 f  139.971   6.1616  1275.53  103.796  1341.26  129.669  1158.29  173.174  145.182   7.0331  134.760   10.119 10.42133 12.32319 
1 1 1  -20    4   20 o  176.648   5.1461  1976.05  110.432  1950.90  137.020  2022.68  186.544  175.119   6.1613  178.178   8.2442 -3.059509 10.29220 
1 1 1  -20    4   21 o  156.076   5.7243  1505.48  107.754  1411.17  131.231  1700.64  188.780  148.877   6.9412  163.276   9.1045 -14.39899 11.44867 
1 1 1  -20    4   22 o   77.292   10.551  348.139   98.359  219.440  120.399  606.384  170.549   57.459   15.940   97.126   13.827 -39.66772 21.10192 
1 1 1  -20    4   23 o  243.808   4.7866  3771.90  140.330  3740.22  172.307  3834.32  241.834  242.423   5.5970  245.192   7.7666 -2.769470 9.573215 
1 1 1  -20    4   24 o  132.964   7.3261  1160.46  117.496  1230.84  147.617  1038.78  194.093  138.811   8.3741  127.118   12.023 11.69290 14.65218 
1 1 1  -20    4   25 o   92.914   7.9405  533.761   91.160  648.954  151.818  468.811  113.999  100.378   11.910   85.450   10.505 14.92762 15.88108 
1 1 1  -20    4   26 o  100.129   7.3232  642.087   92.931  681.805  136.840  608.090  126.603  102.980   10.464   97.278   10.248 5.701691 14.64631 
1 1 1  -20    4   27 o   27.471   9.4090 -303.1322  106.474 -108.1514  145.716 -526.4893  155.959   32.656   15.069   22.287   11.271 10.36934 18.81805 
1 1 1  -20    4   28 o  123.070   7.3059  989.909  111.277  913.708  174.385  1042.25  144.527  118.779   11.561  127.362   8.9358 -8.582756 14.61174 
1 1 1  -20    4   29 o  142.808   7.0069  1351.22  119.083  1219.71  202.408  1420.84  147.267  136.871   11.645  148.745   7.7962 -11.87404 14.01386 
1 1 1  -20    4   30 o   98.800   14.935  653.540  187.380  653.540  187.380   0.0000   0.0000   98.800   14.935  ?   ?       ?      ? 
1 1 1  -20    4   31 o   86.747   10.235  511.163  107.010  543.506  174.379  491.625  135.530   87.674   16.261   85.819   12.436 1.854973 20.47086 
1 1 1  -20    4   32 o  291.092   6.0641  5467.87  224.169   0.0000   0.0000  5467.87  224.169  ?   ?   291.092   6.0641      ?      ? 
1 1 1  -20    4   33 o   60.774   13.114  287.223  110.733  342.211  164.667  241.830  149.613   65.626   18.797   55.922   18.291 9.703899 26.22745 
1 1 1  -20    4   34 o   44.871   12.642  132.241  108.303  155.320  157.234  111.407  149.394   46.734   18.273   43.007   17.476 3.727177 25.28442 
1 1 1  -20    6    1 f  552.945   4.7197 19387.30  330.871 18850.23  452.763 20002.84  484.715  544.746   6.5448  561.144   6.8020 -16.39789 9.439363 
1 1 1  -20    6    2 o  751.445   6.1162 35849.76  583.358 36833.29  841.602 34940.20  809.331  761.353   8.7045  741.536   8.5944 19.81653 12.23241 
1 1 1  -20    6    3 o  1569.78   12.241 156823.20  2438.94 154086.30  3383.66 159782.80  3518.65  1555.58   17.128  1583.98   17.492 -28.39697 24.48200 
1 1 1  -20    6    4 o  825.339   6.6587 43265.59  697.536 42607.95  967.905 43976.20  1006.14  818.825   9.3082  831.852   9.5243 -13.02710 13.31743 
1 1 1  -20    6    5 o  150.841   5.3784  1445.12  103.027  1445.12  103.027   0.0000   0.0000  150.841   5.3784  ?   ?       ?      ? 
1 1 1  -20    6    6 o  790.865   6.4459 39723.81  647.206 40675.62  928.650 38824.88  902.486  800.070   9.1400  781.660   9.0917 18.41034 12.89180 
1 1 1  -20    6    8 f  187.732   4.3296  2246.21  102.787  2465.53  144.651  2022.51  146.085  197.023   5.7813  178.440   6.4467 18.58363 8.659276 
1 1 1  -20    6    9 o  494.078   5.0020 15764.39  282.838 16115.92  336.051 14910.50  523.752  503.730   5.2533  484.425   8.5138 19.30533 10.00404 
1 1 1  -20    6   10 o  387.710   4.4468  9386.81  195.422  9197.46  228.337  9905.25  377.824  380.555   4.7248  394.865   7.5347 -14.31061 8.893522 
1 1 1  -20    6   11 o  833.690   7.8697 42811.84  698.119 41724.26  789.370 46716.87  1495.76  810.398   7.6702  856.982   13.744 -46.58398 15.73939 
1 1 1  -20    6   12 o  497.408   5.1560 15478.94  286.406 15223.77  332.064 16220.17  565.962  489.584   5.3409  505.232   8.8210 -15.64795 10.31193 
1 1 1  -20    6   13 o  576.863   5.6649 21343.31  370.718 21593.71  436.799 20698.42  700.988  583.057   5.8992  570.668   9.6727 12.38928 11.32971 
1 1 1  -20    6   14 o  264.179   4.1293  4332.79  130.022  4154.49  157.069  4720.98  231.759  255.756   4.8360  272.602   6.6947 -16.84587 8.258691 
1 1 1  -20    6   15 o  367.021   4.3340  8711.26  187.280  8983.57  227.777  8143.04  329.032  376.075   4.7693  357.967   7.2380 18.10745 8.668034 
1 1 1  -20    6   16 o  274.675   4.0409  4893.17  134.427  5152.40  169.169  4449.04  221.427  284.785   4.6776  264.565   6.5905 20.21933 8.081778 
1 1 1  -20    6   17 o  387.359   4.4898  9602.73  202.456  9697.26  242.643  9386.11  367.305  390.630   4.8913  384.088   7.5304 6.541901 8.979514 
1 1 1  -20    6   18 o  348.986   4.3677  7789.99  177.660  7857.02  213.058  7637.02  321.861  351.585   4.7719  346.387   7.3169 5.198730 8.735475 
1 1 1  -20    6   19 o  197.129   4.6604  2494.60  112.874  2562.94  143.671  2384.39  182.443  200.745   5.6357  193.512   7.4241 7.233139 9.320802 
1 1 1  -20    6   20 o   47.003   11.537  114.817   93.533  206.800  121.525 -18.8538  146.498   56.039   16.176   37.966   16.454 18.07260 23.07357 
1 1 1  -20    6   21 o  298.355   4.3984  5684.12  159.293  5727.58  198.463  5605.42  267.059  300.075   5.2080  296.636   7.0893 3.439484 8.796709 
1 1 1  -20    6   22 o   93.198   8.4149  550.960   98.529  516.907  128.695  599.190  153.159   89.807   11.284   96.590   12.486 -6.783501 16.82983 
1 1 1  -20    6   23 o   92.304   9.5279  569.574  104.526  612.066  134.110  503.814  166.836   97.696   10.810   86.913   15.693 10.78275 19.05575 
1 1 1  -20    6   24 o   91.902   10.145  585.351  107.967  669.273  137.809  451.974  173.732  102.093   10.629   81.711   17.282 20.38127 20.28942 
1 1 1  -20    6   25 o   91.688   10.383  515.764  113.942  373.371  142.254  770.632  190.318   74.364   15.563  109.012   13.748 -34.64751 20.76547 
1 1 1  -20    6   26 o   84.785   10.377  596.172  152.316  1151.52  188.912 -435.5970  257.494  133.607   11.134   35.962   17.516 97.64442 20.75487 
1 1 1  -20    6   27 o   96.339   8.8645  603.754  104.097  598.595  172.816  606.692  130.411   95.709   14.218   96.968   10.590 -1.258423 17.72901 
1 1 1  -20    6   28 o   67.800   12.190  271.266  103.260  494.266  184.688  169.857  124.545   84.495   17.775   51.105   16.687 33.38966 24.38058 
1 1 1  -20    6   29 o  113.522   8.2765  854.099  111.879  811.622  192.487  875.769  137.487  110.736   13.688  116.307   9.3085 -5.570709 16.55305 
1 1 1  -20    6   30 o   67.367   12.461  319.739  102.286  340.716  183.725  310.316  123.133   68.211   19.948   66.523   14.941 1.688225 24.92256 
1 1 1  -20    6   31 o  ?   ?  -914.9147  103.088 -651.0014  148.224 -1162.1670  143.469  ?   ?   ?   ?       ?      ? 
1 1 1  -20    6   32 o   32.869   15.223 -82.9335  150.737 -82.9335  150.737   0.0000   0.0000   32.869   15.223  ?   ?       ?      ? 
1 1 1  -20    6   33 o   32.231   14.905 -64.9588  143.671   0.0000   0.0000 -64.9588  143.671  ?   ?    32.231   14.905      ?      ? 
1 1 1  -20    8    1 o  685.562   6.8755 30158.28  573.683 30924.77  720.440 28830.04  948.384  697.670   8.1315  673.455   11.089 24.21533 13.75101 
1 1 1  -20    8    2 o   58.731   9.4196  201.281   64.130  158.918   75.689  309.076  120.737   49.034   12.204   68.427   14.352 -19.39260 18.83923 
1 1 1  -20    8    3 o  371.287   4.2864  8252.76  170.639  7853.65  192.626  9707.74  367.786  351.662   4.3133  390.911   7.4087 -39.24911 8.572796 
1 1 1  -20    8    4 o  1141.95   10.424 82301.03  1296.42 81684.73  1487.30 84250.38  2645.15  1133.68   10.331  1150.21   18.109 -16.53406 20.84845 
1 1 1  -20    8    5 o  457.886   4.8585 12963.80  243.122 12638.07  278.210 14016.35  500.107  446.087   4.9111  469.685   8.3845 -23.59811 9.716937 
1 1 1  -20    8    6 o  412.009   4.7547 10269.79  224.538  9652.13  262.030 11976.79  435.608  389.836   5.2929  434.182   7.9004 -44.34586 9.509479 
1 1 1  -20    8    7 o  478.168   5.0171 14422.87  268.830 14309.54  312.918 14742.20  525.265  474.660   5.1912  481.675   8.5871 -7.014893 10.03429 
1 1 1  -20    8    8 o  325.154   4.1438  6714.12  156.937  6712.31  187.672  6718.33  286.183  325.102   4.5457  325.205   6.9296 -0.1034241 8.287519 
1 1 1  -20    8    9 o  780.641   7.2833 38960.76  635.847 39215.33  741.985 38256.98  1233.72  785.664   7.4367  775.619   12.525 10.04474 14.56670 
1 1 1  -20    8   10 o  290.249   4.0273  5364.93  137.373  5387.96  165.622  5314.14  245.923  291.268   4.4776  289.229   6.6955 2.039398 8.054701 
1 1 1  -20    8   11 o  222.918   4.0983  3195.49  109.499  3278.91  135.182  3036.32  186.729  227.215   4.6849  218.620   6.7258 8.595337 8.196648 
1 1 1  -20    8   12 o  329.691   4.4949  6936.19  186.976  7223.38  253.693  6594.69  276.643  337.207   5.9243  322.176   6.7616 15.03091 8.989775 
1 1 1  -20    8   13 o  392.691   4.4468  9817.13  201.646  9843.65  239.811  9753.15  372.548  393.655   4.7971  391.727   7.4890 1.927979 8.893613 
1 1 1  -20    8   14 o  247.658   3.9789  3840.93  118.371  3728.39  144.472  4070.78  206.468  242.250   4.6961  253.067   6.4245 -10.81659 7.957889 
1 1 1  -20    8   15 o   99.791   6.8035  625.597   84.698  590.350  108.697  680.078  135.137   96.287   8.8894  103.296   10.302 -7.008682 13.60694 
1 1 1  -20    8   16 o  382.858   4.4195  9236.18  194.249  9121.58  229.250  9527.93  365.767  378.827   4.7653  386.890   7.4446 -8.063324 8.839097 
1 1 1  -20    8   17 o  368.453   4.3734  8644.98  188.770  8658.66  226.870  8614.20  340.324  369.062   4.8406  367.844   7.2854 1.218384 8.746888 
1 1 1  -20    8   18 o  127.129   5.7048  1000.63   90.598  873.145  116.050  1199.57  144.974  117.070   7.8059  137.188   8.3214 -20.11806 11.40954 
1 1 1  -20    8   19 o  244.804   4.1849  3763.09  124.694  3643.21  154.419  3987.77  211.393  239.344   5.0804  250.264   6.6514 -10.92039 8.369736 
1 1 1  -20    8   20 o  237.968   4.4097  3664.15  128.103  3836.95  162.540  3380.81  208.128  245.591   5.2116  230.346   7.1150 15.24565 8.819491 
1 1 1  -20    8   21 o   57.566   12.076  217.208   94.022  208.084  124.769  229.199  143.028   56.129   16.445   59.003   17.689 -2.874725 24.15234 
1 1 1  -20    8   22 o   96.082   8.3514  588.451  100.472  564.493  130.428  623.415  157.565   93.781   10.952   98.382   12.611 -4.601257 16.70289 
1 1 1  -20    8   23 o  127.555   6.9845  1058.11  111.510  1176.68  151.578  918.240  164.627  135.585   8.8034  119.526   10.846 16.05919 13.96890 
1 1 1  -20    8   24 o   22.705   8.1034 -460.8391  105.548 -379.3523  130.540 -614.6963  179.373   21.656   10.869   23.754   12.022 -2.098364 16.20679 
1 1 1  -20    8   25 o   30.643   10.659 -340.7188  130.385 -324.6733  158.025 -374.9370  230.769   26.790   13.186   34.496   16.751 -7.706226 21.31855 
1 1 1  -20    8   26 o   44.404   13.042   37.792  120.612   3.5898  160.207   82.541  183.249   40.588   17.394   48.221   19.439 -7.633305 26.08490 
1 1 1  -20    8   27 o   46.496   13.266   28.226  127.861 -94.9763  169.633  190.307  194.567   36.271   16.559   56.721   20.730 -20.45031 26.53189 
1 1 1  -20    8   28 o   42.780   14.961 -344.7693  167.883 -197.3567  452.525 -368.2965  180.784   57.193   26.449   28.367   13.989 28.82624 29.92111 
1 1 1  -20    8   29 o   59.794   12.858  246.769  101.152  277.355  179.901  232.630  122.318   62.215   20.035   57.374   16.120 4.841248 25.71549 
1 1 1  -20    8   30 o   33.450   16.685 -1279.2980  120.687 -628.2189  286.601 -1419.6340  133.059   33.450   16.685  ?   ?       ?      ? 
1 1 1  -20    8   31 o   26.721   12.982 -204.1478  139.096   0.0000   0.0000 -204.1478  139.096  ?   ?    26.721   12.982      ?      ? 
1 1 1  -20    8   32 o   33.952   15.265 -18.7235  137.641   0.0000   0.0000 -18.7235  137.641  ?   ?    33.952   15.265      ?      ? 
1 1 1  -20   10    1 o  262.259   4.0098  4272.72  122.516  4135.11  145.448  4608.86  227.324  255.166   4.4886  269.352   6.6458 -14.18591 8.019595 
1 1 1  -20   10    2 f  525.400   5.2716 17457.71  305.421 17376.64  352.750 17700.51  610.423  523.051   5.3106  527.748   9.1081 -4.697876 10.54323 
1 1 1  -20   10    3 o  536.306   5.6301 18129.91  357.742 17877.29  432.381 18678.11  636.951  530.495   6.4181  542.118   9.2520 -11.62286 11.26017 
1 1 1  -20   10    4 o  364.741   4.2716  8494.72  177.861  8552.06  210.116  8349.77  334.068  366.956   4.5089  362.526   7.2564 4.429688 8.543102 
1 1 1  -20   10    5 o  206.776   4.0914  2746.41   97.652  2790.50  116.500  2642.24  179.062  209.614   4.3765  203.937   6.9140 5.677277 8.182748 
1 1 1  -20   10    6 o  413.589   4.5372 10659.59  209.395 10441.26  242.443 11300.67  415.444  405.458   4.7085  421.720   7.7573 -16.26230 9.074459 
1 1 1  -20   10    7 o  329.448   4.0859  6686.56  152.173  6452.65  176.937  7351.19  298.249  318.744   4.3712  340.152   6.9044 -21.40768 8.171815 
1 1 1  -20   10    8 o  551.428   5.4421 19765.98  346.809 20435.63  416.143 18243.37  627.497  567.172   5.7776  535.685   9.2241 31.48663 10.88417 
1 1 1  -20   10    9 o  159.363   4.6324  1545.35   87.301  1437.40  104.146  1800.48  160.105  150.418   5.4521  168.308   7.4907 -17.88960 9.264789 
1 1 1  -20   10   10 o  130.992   5.1468  1043.57   82.641  923.929  102.037  1271.67  140.891  120.566   6.6643  141.419   7.8451 -20.85284 10.29363 
1 1 1  -20   10   11 o  448.973   4.7897 12626.18  241.458 12415.30  280.801 13224.53  473.001  442.023   5.0024  455.922   8.1695 -13.89874 9.579348 
1 1 1  -20   10   12 o  305.354   4.1151  5863.17  146.841  5765.34  175.352  6092.79  268.653  301.210   4.5842  309.497   6.8353 -8.287750 8.230193 
1 1 1  -20   10   13 o  210.591   4.3126  2908.37  109.425  3138.04  138.034  2519.92  179.514  222.191   4.8919  198.992   7.1037 23.19847 8.625196 
1 1 1  -20   10   14 o   33.866   10.280 -21.1932   77.306 -55.6507   96.634   40.058  128.838   27.900   12.644   39.832   16.212 -11.93223 20.55976 
1 1 1  -20   10   15 o   61.695   10.462  253.386   79.414  252.723  101.365  254.441  127.787   61.635   13.338   61.755   16.121 -0.1198845 20.92338 
1 1 1  -20   10   16 o  153.673   4.8358  1508.03   91.964  1524.12  117.872  1483.00  147.017  154.771   5.9972  152.575   7.5877 2.195953 9.671524 
1 1 1  -20   10   17 o  153.190   5.1106  1498.35   95.802  1507.60  120.558  1482.49  157.813  153.902   6.1684  152.479   8.1500 1.423813 10.22114 
1 1 1  -20   10   18 f  162.900   5.1605  1681.31  105.076  1637.20  136.184  1746.20  165.176  160.324   6.6889  165.476   7.8602 -5.152573 10.32103 
1 1 1  -20   10   19 o   95.863   7.9465  596.354   94.755  629.669  124.313  550.160  146.383   99.204   9.8676   92.522   12.459 6.682587 15.89293 
1 1 1  -20   10   20 o  221.945   4.6146  3139.84  125.558  3140.34  158.163  3138.99  206.470  222.079   5.6082  221.811   7.3299 0.2676544 9.229235 
1 1 1  -20   10   21 o  148.516   5.7882  1413.98  107.364  1432.38  140.230  1387.93  166.898  149.781   7.3724  147.250   8.9252 2.531174 11.57632 
1 1 1  -20   10   22 o  150.569   6.4446  1341.07  114.638  1171.55  135.613  1765.49  214.583  135.359   7.8893  165.779   10.193 -30.41971 12.88920 
1 1 1  -20   10   23 o  166.280   13.042  1793.51  275.391   0.0000   0.0000  1793.51  275.391  ?   ?   166.280   13.042      ?      ? 
1 1 1  -20   10   24 o   51.112   12.757  150.730  109.422  225.321  139.736   32.484  175.937   57.979   17.507   44.246   18.561 13.73293 25.51477 
1 1 1  -20   10   25 o  146.444   6.7627  1386.42  125.049  1428.78  169.665  1336.04  185.023  149.032   8.9647  143.857   10.128 5.174713 13.52550 
1 1 1  -20   10   26 o  104.248   9.3444  706.869  120.491  510.726  161.989  949.787  180.273   87.852   14.520  120.645   11.766 -32.79263 18.68875 
1 1 1  -20   10   27 o   70.588   12.468  357.563  115.502  481.286  161.898  229.320  164.830   83.226   15.898   57.949   19.210 25.27659 24.93558 
1 1 1  -20   10   28 o   34.528   12.300 -386.2514  144.323 -353.3812  347.369 -393.1092  158.665   44.292   21.269   24.764   12.362 19.52763 24.60061 
1 1 1  -20   10   29 o  205.930   9.5639  3203.87  215.674  2172.48  376.614  3707.16  263.085  174.179   17.026  237.682   8.7161 -63.50284 19.12771 
1 1 1  -20   10   31 o   37.135   15.780   47.416  129.857   0.0000   0.0000   47.416  129.857  ?   ?    37.135   15.780      ?      ? 
1 1 1  -20   12    1 o  271.906   4.1043  4791.68  133.181  4984.85  164.385  4422.69  227.199  280.092   4.6215  263.720   6.7840 16.37186 8.208574 
1 1 1  -20   12    2 o  430.946   4.6236 11775.07  224.587 11736.18  262.605 11880.99  433.353  429.761   4.8117  432.131   7.8968 -2.370087 9.247217 
1 1 1  -20   12    3 o  159.368   4.6765  1708.35   83.889  1836.95  100.213  1407.19  153.351  170.029   4.6411  148.708   8.1203 21.32080 9.353073 
1 1 1  -20   12    4 o  348.758   4.1727  7608.91  165.596  7459.54  193.984  8010.18  317.944  342.638   4.4581  354.879   7.0549 -12.24072 8.345478 
1 1 1  -20   12    5 o  463.919   4.8447 13882.70  258.685 14158.86  308.348 13226.47  475.325  471.990   5.1443  455.848   8.2109 16.14200 9.689372 
1 1 1  -20   12    6 o  138.683   4.9321  1216.33   83.948  1196.09  105.484  1251.29  138.643  137.151   6.0563  140.215   7.7862 -3.063705 9.864246 
1 1 1  -20   12    7 o  185.462   4.3379  2198.59   97.089  2223.79  120.267  2151.44  164.510  187.042   5.0633  183.881   7.0450 3.160675 8.675714 
1 1 1  -20   12    8 o  235.306   4.0064  3569.85  113.018  3675.99  139.710  3368.86  192.250  240.497   4.5745  230.115   6.5787 10.38116 8.012826 
1 1 1  -20   12    9 o  138.460   4.8643  1180.89   82.296  1086.62  101.557  1361.19  140.448  130.702   6.1185  146.218   7.5637 -15.51625 9.728655 
1 1 1  -20   12   10 o  255.532   3.9627  4170.19  121.219  4206.06  148.778  4099.36  209.073  257.241   4.5543  253.823   6.4862 3.417877 7.925413 
1 1 1  -20   12   11 o  160.319   4.4583  1594.32   88.640  1458.81  111.942  1822.11  145.136  151.440   5.8207  169.198   6.7546 -17.75801 8.916599 
1 1 1  -20   12   12 o   59.454   10.179  232.818   74.919  218.719   96.719  253.967  118.459   57.266   13.517   61.642   15.223 -4.375496 20.35775 
1 1 1  -20   12   13 o  241.880   4.0263  3741.08  118.118  3787.19  147.190  3657.66  197.960  244.056   4.7491  239.704   6.5032 4.352173 8.052660 
1 1 1  -20   12   14 o  165.405   4.7078  1737.64   96.047  1723.27  121.845  1761.23  156.091  164.559   5.8305  166.251   7.3933 -1.691437 9.415701 
1 1 1  -20   12   15 o  123.379   5.8249  997.235   87.340  1075.04  111.283  872.438  140.941  129.910   6.7454  116.847   9.4982 13.06297 11.64978 
1 1 1  -20   12   16 o  202.395   4.4766  2610.34  111.906  2614.51  142.626  2603.66  180.495  202.678   5.5413  202.111   7.0323 0.5669708 8.953184 
1 1 1  -20   12   17 o  255.555   4.2583  4194.51  132.253  4283.76  165.617  4037.43  219.713  259.459   5.0264  251.651   6.8751 7.807404 8.516558 
1 1 1  -20   12   18 o   53.547   11.749  186.134   89.858  229.571  123.671  137.557  130.784   58.486   16.129   48.609   17.089 9.877293 23.49830 
1 1 1  -20   12   19 o   39.461   11.644   24.968   96.723   20.818  130.289   30.063  144.367   38.235   16.002   40.688   16.920 -2.452942 23.28847 
1 1 1  -20   12   20 o   41.584   12.528 -138.9812  105.924 -232.9738  120.156  188.779  224.376   23.887   11.705   59.281   22.154 -35.39334 25.05561 
1 1 1  -20   12   21 o   26.231   9.3085 -507.8792  130.344 -430.3544  163.642 -642.4269  215.582   25.071   12.521   27.392   13.777 -2.321009 18.61694 
1 1 1  -20   12   22 o   43.583   12.175   21.802  107.797 -97.0603  142.833  179.094  164.308   32.733   15.037   54.432   19.153 -21.69925 24.35051 
1 1 1  -20   12   23 o  143.306   6.8274  1328.39  123.458  1369.08  167.064  1279.43  183.249  145.870   9.0186  140.743   10.253 5.127090 13.65480 
1 1 1  -20   12   24 o   49.421   12.943  129.846  112.093  198.426  151.475   46.828  166.658   55.082   18.421   43.760   18.187 11.32219 25.88667 
1 1 1  -20   12   25 o   40.195   12.778 -76.4971  140.981 -485.2004  288.849   51.310  161.527   37.222   18.220   43.168   17.920 -5.945858 25.55552 
1 1 1  -20   12   26 o   81.961   17.534  439.628  158.075  697.882  396.267  390.754  172.385   90.748   29.772   73.174   18.531 17.57422 35.06809 
1 1 1  -20   12   27 o  ?   ?  -1125.5350  167.622 -1141.3510  229.121 -1107.3230  245.871  ?   ?   ?   ?       ?      ? 
1 1 1  -20   12   28 o   40.861   13.114 -56.5477  152.239 -189.7472  230.760   46.106  202.580   37.363   17.775   44.359   19.286 -6.995926 26.22795 
1 1 1  -20   12   29 o   39.406   12.124   6.4482  123.833 -212.5048  210.026  123.127  153.318   33.992   16.378   44.821   17.881 -10.82902 24.24764 
1 1 1  -20   14    1 o   40.888   10.819   83.028   70.288   91.742   81.978   58.846  136.571   39.530   13.550   42.246   16.869 -2.715542 21.63718 
1 1 1  -20   14    2 o  159.270   4.6966  1613.09   86.387  1610.79  102.649  1618.68  159.937  159.158   5.0787  159.383   7.9019 -0.2245636 9.393209 
1 1 1  -20   14    3 o  135.327   4.9601  1175.04   80.005  1192.63   97.951  1139.79  138.672  136.927   5.6330  133.727   8.1657 3.200150 9.920153 
1 1 1  -20   14    4 o  186.352   4.8717  2208.05  115.291  2208.05  115.291   0.0000   0.0000  186.352   4.8717  ?   ?       ?      ? 
1 1 1  -20   14    5 o  139.342   4.9758  1272.01   82.308  1345.63  101.636  1131.73  140.298  145.447   5.5026  133.237   8.2918 12.20982 9.951515 
1 1 1  -20   14    6 o  170.746   4.3910  1828.54   90.295  1773.30  110.492  1939.58  156.666  166.980   5.2106  174.513   7.0692 -7.533676 8.782040 
1 1 1  -20   14    7 o  122.528   6.4923  960.452  100.775  894.914  143.757  1023.78  141.309  118.382   9.5624  126.675   8.7842 -8.292503 12.98466 
1 1 1  -20   14    8 o  325.948   4.1171  6690.90  156.661  6586.08  186.986  6937.77  286.957  321.845   4.5749  330.052   6.8463 -8.206390 8.234207 
1 1 1  -20   14    9 o  329.314   4.2093  6914.38  163.260  6934.66  197.143  6870.13  291.258  330.230   4.7010  328.397   6.9839 1.833099 8.418696 
1 1 1  -20   14   10 o  132.103   5.3622  1118.44   87.091  1136.72  110.636  1088.66  141.215  133.599   6.5210  130.607   8.5141 2.992569 10.72443 
1 1 1  -20   14   11 o  287.638   4.0844  5193.42  139.485  5065.83  168.508  5471.15  248.605  282.224   4.7016  293.052   6.6802 -10.82779 8.168859 
1 1 1  -20   14   12 o  385.377   4.5095  9433.29  202.803  9391.37  242.657  9530.41  369.338  384.205   4.9734  386.549   7.5239 -2.343781 9.019063 
1 1 1  -20   14   13 o  204.689   4.3692  2619.70  109.087  2500.21  135.092  2843.63  184.935  198.187   5.3676  211.191   6.8955 -13.00343 8.738337 
1 1 1  -20   14   14 o  267.567   4.2341  4644.96  137.065  4858.33  171.946  4273.06  227.008  276.299   4.9004  258.836   6.9062 17.46359 8.468166 
1 1 1  -20   14   15 o  181.002   4.8985  2076.01  109.453  2030.49  138.615  2151.38  178.380  178.483   6.1156  183.521   7.6539 -5.037903 9.797051 
1 1 1  -20   14   16 o  131.034   6.1458  1068.13   97.371  1002.99  118.979  1200.24  169.443  125.297   7.4774  136.771   9.7556 -11.47355 12.29158 
1 1 1  -20   14   17 o   41.095   12.314   22.451  106.287   54.970  126.274 -56.5829  196.856   40.377   16.186   41.813   18.563 -1.436264 24.62841 
1 1 1  -20   14   18 o   78.386   12.769  380.247  118.715  295.735  142.899  568.502  213.277   65.805   16.985   90.968   19.072 -25.16327 25.53825 
1 1 1  -20   14   19 o  161.232   5.9859  1649.94  120.264  1582.64  154.392  1753.79  191.783  157.225   7.7326  165.239   9.1395 -8.013092 11.97176 
1 1 1  -20   14   20 o   86.315   9.8916  489.232  105.772  437.202  142.273  553.524  158.152   80.569   14.435   92.062   13.528 -11.49258 19.78315 
1 1 1  -20   14   21 o  227.741   4.9993  3330.15  142.144  3360.25  185.316  3287.14  221.546  229.190   6.3671  226.292   7.7093 2.897690 9.998667 
1 1 1  -20   14   22 o   42.580   12.229   59.122  104.423   94.772  145.641   21.407  149.799   45.090   17.598   40.069   16.984 5.020607 24.45736 
1 1 1  -20   14   23 o  204.313   6.9292  2693.51  165.445  2788.73  301.478  2652.48  197.908  205.868   11.532  202.759   7.6861 3.109207 13.85835 
1 1 1  -20   14   24 o  115.344   11.192  848.424  144.632  1075.42  293.425  775.573  166.228  122.872   18.805  107.816   12.141 15.05627 22.38335 
1 1 1  -20   14   25 o  153.328   10.145  1653.95  159.989  678.895  212.748  2923.12  242.722   95.796   18.153  210.860   9.0644 -115.0640 20.28984 
1 1 1  -20   14   26 o   60.407   14.618  286.408  139.274  198.509  203.977  363.177  190.627   53.648   20.858   67.167   20.485 -13.51857 29.23518 
1 1 1  -20   14   27 o   34.180   16.215 -142.4138  189.456 -142.4138  189.456   0.0000   0.0000   34.180   16.215  ?   ?       ?      ? 
1 1 1  -20   16    1 o  362.877   4.4756  8448.66  184.958  8524.19  218.331  8256.67  348.082  366.050   4.6968  359.704   7.6201 6.345825 8.951241 
1 1 1  -20   16    2 f   65.835   10.311  301.318   82.020  337.631  101.171  231.687  140.096   72.546   10.982   59.125   17.455 13.42067 20.62257 
1 1 1  -20   16    3 o  165.131   4.7293  1685.42   92.477  1599.12  110.842  1883.06  167.746  158.489   5.5072  171.773   7.6899 -13.28314 9.458521 
1 1 1  -20   16    4 o  331.071   4.2850  6895.21  163.520  6778.44  193.323  7188.77  306.535  326.422   4.6637  335.720   7.1900 -9.297546 8.570020 
1 1 1  -20   16    5 o  232.736   4.2022  3450.57  115.391  3451.30  139.462  3448.97  205.467  232.910   4.7151  232.562   6.9571 0.3485260 8.404330 
1 1 1  -20   16    6 o   87.946   7.7580  496.709   83.001  497.211  103.555  495.807  138.802   88.146   9.2510   87.745   12.456 0.4009781 15.51593 
1 1 1  -20   16    7 o  369.931   4.4286  8717.59  191.780  8711.16  230.245  8732.16  346.573  369.974   4.9005  369.889   7.3781 0.8517456E-01 8.857285 
1 1 1  -20   16    8 o   69.258   9.9673  317.055   83.999  289.847  110.496  354.306  129.291   65.789   13.672   72.727   14.508 -6.938049 19.93467 
1 1 1  -20   16    9 o  194.713   4.2930  2361.66  102.419  2220.60  127.282  2620.75  172.500  186.732   5.3675  202.694   6.7015 -15.96135 8.586024 
1 1 1  -20   16   10 o  257.561   4.4612  4253.62  139.821  4314.15  175.050  4146.92  232.393  260.269   5.2962  254.854   7.1805 5.414520 8.922358 
1 1 1  -20   16   11 o  271.929   4.5773  4677.74  150.133  4593.32  184.545  4842.94  258.174  268.522   5.4118  275.335   7.3837 -6.813110 9.154613 
1 1 1  -20   16   12 o   41.381   12.306   16.242   99.342  -4.3935  116.660   70.682  189.484   34.461   14.808   48.300   19.660 -13.83981 24.61271 
1 1 1  -20   16   13 o  282.144   8.9767  5105.34  321.636   0.0000   0.0000  5105.34  321.636  ?   ?   282.144   8.9767      ?      ? 
1 1 1  -20   16   14 o  205.317   5.3706  2386.69  128.854  1964.60  150.483  3546.61  249.459  175.373   6.7569  235.261   8.3497 -59.88820 10.74117 
1 1 1  -20   16   15 o   43.373   12.243   64.150   99.226   42.338  125.682  100.243  161.673   39.155   15.983   47.592   18.551 -8.437222 24.48658 
1 1 1  -20   16   16 o  109.200   8.0524  763.773  104.923  748.058  127.573  796.626  184.458  107.832   9.3161  110.568   13.137 -2.735962 16.10483 
1 1 1  -20   16   17 o   92.989   8.8235  560.999  103.433  542.237  137.254  585.657  157.350   91.320   11.835   94.658   13.090 -3.338203 17.64706 
1 1 1  -20   16   18 o   45.663   12.437   88.053  103.857   27.604  139.861  162.361  155.065   39.460   16.551   51.865   18.568 -12.40543 24.87371 
1 1 1  -20   16   19 o   34.687   11.048 -56.0977  101.798 -54.3953  135.986 -58.2678  153.533   33.618   15.138   35.756   16.095 -2.138447 22.09553 
1 1 1  -20   16   20 o   69.126   13.681  330.026  122.507  430.175  200.066  269.950  154.954   76.627   20.253   61.626   18.397 15.00134 27.36140 
1 1 1  -20   16   21 o   69.960   13.420  391.322  129.605  191.375  224.328  491.501  158.787   56.366   21.885   83.554   15.537 -27.18757 26.83903 
1 1 1  -20   16   22 o  ?   ?  -957.4461  128.852 -836.1911  167.330 -1134.0920  201.965  ?   ?   ?   ?       ?      ? 
1 1 1  -20   16   23 o   41.926   12.463 -63.1885  137.978 -405.0373  207.245  208.971  184.918   29.648   14.686   54.205   20.140 -24.55737 24.92598 
1 1 1  -20   16   24 o   34.050   11.375 -148.6753  132.559 -367.1453  228.846 -38.3563  162.620   32.155   15.835   35.946   16.334 -3.790073 22.74939 
1 1 1  -20   18    1 o  136.515   6.8654  1155.18  107.211  1103.04  125.383  1296.98  206.764  131.321   7.5184  141.710   11.489 -10.38925 13.73074 
1 1 1  -20   18    2 o   64.363   12.552  247.219  101.109  180.074  121.128  401.515  183.617   52.425   16.388   76.302   19.017 -23.87725 25.10409 
1 1 1  -20   18    3 f   30.669   14.766 -395.5780   98.069 -469.5419  120.049 -247.2088  170.029  ?   ?    30.669   14.766      ?      ? 
1 1 1  -20   18    4 o  208.089   4.8016  2656.43  116.377  2504.30  137.465  3041.31  218.652  198.210   5.4612  217.968   7.8992 -19.75835 9.603259 
1 1 1  -20   18    5 o  290.309   4.4928  5350.64  156.081  5293.24  190.612  5467.44  271.907  288.212   5.2079  292.407   7.3224 -4.195282 8.985543 
1 1 1  -20   18    6 o  288.124   4.6673  5317.28  158.674  5344.05  192.047  5259.70  281.666  289.582   5.2223  286.666   7.7372 2.916016 9.334643 
1 1 1  -20   18    7 o  260.130   4.6536  4306.89  144.599  4277.59  176.447  4366.80  252.321  259.044   5.3637  261.215   7.6064 -2.170776 9.307291 
1 1 1  -20   18    8 o  238.151   4.6880  3546.61  131.475  3424.49  157.390  3828.61  239.166  231.767   5.3475  244.535   7.7016 -12.76765 9.376056 
1 1 1  -20   18    9 o  209.406   5.0171  2795.79  123.119  2781.25  147.806  2828.75  222.512  208.813   5.5739  209.998   8.3437 -1.184998 10.03424 
1 1 1  -20   18   10 f  125.887   6.7247  1001.53  104.280  947.002  130.790  1096.67  172.770  121.449   8.4801  130.325   10.439 -8.875717 13.44943 
1 1 1  -20   18   11 o   97.792   9.1075  635.925  104.357  657.166  126.740  591.206  183.898  100.916   9.8895   94.668   15.297 6.247520 18.21502 
1 1 1  -20   18   12 o   44.590   12.470   83.471  101.262   85.627  125.816   79.507  170.622   42.649   16.437   46.530   18.757 -3.880974 24.93996 
1 1 1  -20   18   13 o   68.250   12.066  336.326  105.220  396.763  135.775  245.463  166.482   76.335   14.537   60.166   19.263 16.16901 24.13284 
1 1 1  -20   18   14 o  122.964   7.1756  939.510  108.888  812.525  135.798  1168.18  182.230  111.990   9.5485  133.937   10.714 -21.94683 14.35120 
1 1 1  -20   18   15 o   78.894   10.631  421.469  101.481  411.243  128.920  438.125  164.541   78.835   12.877   78.952   16.920 -0.1164169 21.26270 
1 1 1  -20   18   16 o   84.649   9.8119  480.528   99.607  462.315  125.221  511.906  164.364   83.638   11.790   85.660   15.688 -2.022354 19.62383 
1 1 1  -20   18   17 o  192.028   5.9735  2410.12  144.934  2218.81  209.620  2585.35  200.612  184.410   8.9510  199.646   7.9126 -15.23581 11.94691 
1 1 1  -20   18   18 o   30.724   10.646 -332.5963  134.295 -421.1848  175.247 -206.5606  209.030   26.054   13.004   35.393   16.860 -9.339365 21.29222 
1 1 1  -20   18   19 o   88.628   11.852  654.429  143.315  1112.13  194.489  110.607  211.998  128.141   11.952   49.114   20.471 79.02721 23.70445 
1 1 1  -20   18   20 o   46.895   12.702   23.406  122.513  329.980  196.127 -172.7681  156.888   63.796   20.946   29.993   14.374 33.80326 25.40330 
1 1 1  -20   18   21 o   99.609   11.505  749.820  137.565  700.307  215.818  783.705  178.535   94.040   18.730  105.177   13.367 -11.13753 23.01018 
1 1 1  -20   18   22 o   51.415   20.591  202.840  204.156  202.840  204.156   0.0000   0.0000   51.415   20.591  ?   ?       ?      ? 
1 1 1  -20   20    1 o  155.031   6.0898  1545.59  112.668  1532.19  137.381  1573.12  196.901  154.456   7.0039  155.605   9.9643 -1.148605 12.17962 
1 1 1  -20   20    2 o  176.969   5.5219  2044.24  117.577  2107.74  146.070  1927.40  198.156  181.347   6.3427  172.592   9.0409 8.755356 11.04388 
1 1 1  -20   20    3 o  222.106   4.7641  3229.00  127.914  3392.11  160.617  2946.16  211.507  230.320   5.4914  213.891   7.7867 16.42996 9.528275 
1 1 1  -20   20    4 o   94.457   10.625  715.076  101.123  844.864  120.052  398.067  187.623  114.425   8.2617   74.489   19.577 39.93642 21.24932 
1 1 1  -20   20    5 o  256.586   4.7912  4221.23  144.485  4211.32  174.026  4243.21  259.216  256.642   5.3396  256.531   7.9569 0.1111145 9.582475 
1 1 1  -20   20    6 o   47.810   12.910  112.269  105.646   80.311  131.760  169.803  176.790   42.357   16.677   53.264   19.712 -10.90709 25.82026 
1 1 1  -20   20    7 o   84.746   10.814  475.987  105.319  450.387  125.991  535.372  191.893   82.649   12.004   86.843   17.992 -4.193993 21.62846 
1 1 1  -20   20    8 f   79.095   11.299  448.753  104.374  479.670  127.671  386.450  181.239   85.254   11.792   72.936   19.276 12.31801 22.59717 
1 1 1  -20   20    9 o  137.490   6.9618  1216.05  113.862  1180.52  137.828  1292.41  202.059  135.034   8.0375  139.946   11.369 -4.912033 13.92357 
1 1 1  -20   20   10 o   46.690   12.488  121.208  105.828  180.810  132.532   16.336  175.799   51.525   17.231   41.856   18.082 9.669758 24.97696 
1 1 1  -20   20   11 o   40.347   11.935   45.671  102.341   69.237  133.533   12.123  159.322   40.997   16.570   39.697   17.181 1.300350 23.86981 
1 1 1  -20   20   12 f   33.699   10.946 -123.0197  115.514   12.562  147.634 -337.0636  185.497   38.249   16.547   29.149   14.335 9.100559 21.89280 
1 1 1  -20   20   13 o  248.620   10.451  4112.46  329.966   0.0000   0.0000  4112.46  329.966  ?   ?   248.620   10.451      ?      ? 
1 1 1  -20   20   14 o   30.780   10.641 -348.0294  137.266 -529.6076  188.267 -141.9590  200.562   25.333   12.758   36.228   17.034 -10.89557 21.28200 
1 1 1  -20   20   15 o  138.844   8.4415  1319.11  148.819  1287.78  209.042  1351.31  211.910  137.116   12.005  140.572   11.871 -3.456024 16.88308 
1 1 1  -20   20   16 o   67.126   14.189  376.248  134.136  286.067  198.585  451.916  181.905   59.194   21.032   75.057   19.051 -15.86360 28.37755 
1 1 1  -20   20   17 o   79.768   13.064  512.714  129.900  554.166  185.236  472.604  182.213   83.512   17.997   76.024   18.942 7.487976 26.12861 
1 1 1  -20   20   18 o   65.310   13.642  368.896  134.662  182.107  193.677  543.701  187.361   49.504   19.975   81.116   18.587 -31.61188 27.28462 
1 1 1  -20   22    1 o   88.899   11.856  606.685   99.068  620.095  109.579  546.668  231.816   96.739   8.9196   81.060   21.970 15.67949 23.71189 
1 1 1  -20   22    2 o  120.132   7.8498  963.670  112.361  936.814  136.506  1020.10  197.865  118.845   9.0447  121.418   12.832 -2.573280 15.69959 
1 1 1  -20   22    3 o   32.985   10.999 -110.1895  103.583 -131.1162  121.333 -53.9474  198.912   26.859   12.809   39.111   17.885 -12.25197 21.99854 
1 1 1  -20   22    4 o   46.183   12.627  136.329  100.426  159.908  115.289   62.157  204.474   47.315   16.070   45.050   19.481 2.265453 25.25366 
1 1 1  -20   22    5 o   29.166   9.9232 -158.4907  101.161 -148.4365  124.029 -178.4701  174.840   26.506   12.723   31.826   15.232 -5.320608 19.84636 
1 1 1  -20   22    6 o   94.812   9.2855  596.880  104.234  543.928  124.460  721.262  190.749   89.455   10.956  100.170   14.995 -10.71507 18.57104 
1 1 1  -20   22    7 o   59.819   12.708  279.273  102.493  274.282  129.990  287.473  166.633   59.778   16.556   59.860   19.283 -0.8181000E-01 25.41518 
1 1 1  -20   22    8 o   38.095   11.773   1.2956  100.803 -48.2820  121.439  111.138  180.759   30.535   13.967   45.655   18.955 -15.12011 23.54528 
1 1 1  -20   22    9 o   39.289   11.033   58.165   95.422  166.352  119.564 -131.6366  158.366   47.376   16.357   31.202   14.809 16.17403 22.06506 
1 1 1  -20   22   10 o   53.540   14.579  226.311  137.694  242.436  220.628  216.024  176.226   54.732   21.571   52.347   19.619 2.385788 29.15836 
1 1 1  -20   22   11 o   68.119   14.876  391.370  147.177  606.793  229.518  240.930  191.801   82.393   21.652   53.845   20.405 28.54819 29.75192 
1 1 1  -19    1    1 o  373.009   3.4337  8836.05  162.642  8926.76  231.490  8747.62  228.559  374.899   4.8623  371.118   4.8496 3.780609 6.867367 
1 1 1  -19    1    2 o  847.801   6.7533 45686.98  727.085 45702.12  1028.27 45671.85  1028.24  847.942   9.5491  847.661   9.5520 0.2811279 13.50651 
1 1 1  -19    1    3 o  1542.96   12.014 151337.59  2350.05 157076.09  3447.66 146357.41  3211.81  1570.13   17.291  1515.79   16.685 54.34009 24.02834 
1 1 1  -19    1    4 o  340.161   4.0297  7222.02  162.471  7703.05  291.379  7004.99  195.721  348.216   6.5892  332.106   4.6407 16.11078 8.059363 
1 1 1  -19    1    5 o  586.639   4.8815 21861.87  363.648 22037.71  517.547 21690.41  511.065  588.968   6.9196  584.310   6.8874 4.657715 9.763041 
1 1 1  -19    1    6 o  285.324   3.8603  5139.95  132.147  5265.07  229.278  5077.71  161.708  287.894   6.2712  282.755   4.5034 5.138489 7.720697 
1 1 1  -19    1    7 o  535.921   4.5582 18244.41  310.212 18376.65  440.501 18114.30  436.931  537.847   6.4493  533.994   6.4432 3.852783 9.116326 
1 1 1  -19    1    8 o  585.945   4.9109 21805.00  365.350 22153.02  523.000 21473.29  510.591  590.509   6.9742  581.382   6.9157 9.127380 9.821736 
1 1 1  -19    1    9 o  429.082   3.9688 11694.42  216.247 11864.49  306.334 11525.49  305.308  432.192   5.5814  425.971   5.6439 6.220856 7.937592 
1 1 1  -19    1   10 o  473.269   4.3219 14195.38  259.393 13635.41  355.563 14832.47  379.257  463.316   6.0431  483.221   6.1803 -19.90543 8.643808 
1 1 1  -19    1   11 o  458.506   4.2894 13315.37  249.181 12827.31  338.841 13890.16  367.719  449.385   5.9374  467.626   6.1921 -18.24023 8.578791 
1 1 1  -19    1   12 o  112.172   6.3390  801.093   90.110  850.110  126.424  750.477  128.470  115.669   8.6066  108.674   9.3089 6.995598 12.67794 
1 1 1  -19    1   14 o  325.496   4.5792  6703.66  188.758  6398.99  255.636  7068.91  279.900  317.398   6.3422  333.594   6.6070 -16.19586 9.158412 
1 1 1  -19    1   15 o  498.931   7.0349 15813.73  445.732 15813.73  445.732   0.0000   0.0000  498.931   7.0349  ?   ?       ?      ? 
1 1 1  -19    1   16 o   45.639   13.301   27.666  127.501 -49.0461  186.538   94.929  174.672   41.743   18.319   49.536   19.290 -7.793056 26.60214 
1 1 1  -19    1   17 o  226.039   5.4274  3251.42  155.554  3089.69  222.098  3407.14  217.934  220.508   7.9313  231.570   7.4108 -11.06174 10.85472 
1 1 1  -19    1   18 o  107.245   9.7994  730.844  131.556  743.247  204.814  722.132  171.646  107.991   14.935  106.501   12.691 1.490158 19.59884 
1 1 1  -19    1   19 o  263.605   4.9922  4380.99  142.141  4347.73  162.440  4489.67  293.644  261.584   4.8900  265.625   8.7051 -4.041595 9.984499 
1 1 1  -19    1   20 o  364.996   5.3857  8348.93  244.798  7856.34  312.823  9127.15  393.191  351.389   7.0102  378.603   8.1779 -27.21408 10.77133 
1 1 1  -19    1   21 o  108.982   5.8698  755.709   81.100  819.832  116.838  696.089  112.660  113.445   8.1100  104.518   8.4880 8.927589 11.73954 
1 1 1  -19    1   22 o   81.310   7.8097  421.972   80.472  432.831  118.283  412.616  109.798   82.269   11.322   80.352   10.760 1.916473 15.61931 
1 1 1  -19    1   23 o  186.928   4.2920  2223.41  101.850  2244.67  146.262  2203.39  141.911  187.791   6.1331  186.066   6.0058 1.725769 8.583979 
1 1 1  -19    1   24 o  249.619   5.8799  3966.58  186.392  3966.58  186.392   0.0000   0.0000  249.619   5.8799  ?   ?       ?      ? 
1 1 1  -19    1   25 f   59.820   11.244  240.071   87.134  266.367  124.090  214.495  122.379   62.885   15.611   56.754   16.187 6.131538 22.48846 
1 1 1  -19    1   26 f  119.099   6.5675  906.281   98.674  929.187  149.125  888.442  131.604  120.379   9.7549  117.818   8.7959 2.561577 13.13490 
1 1 1  -19    1   27 o   60.782   11.973  248.897  102.350  125.460  149.264  358.436  140.611   48.786   18.101   72.779   15.677 -23.99281 23.94587 
1 1 1  -19    1   28 o   75.752   11.460  388.080  106.124  408.368  161.991  372.826  140.464   77.325   16.963   74.179   15.414 3.146408 22.92034 
1 1 1  -19    1   29 o   62.390   12.664  264.756  106.470  313.410  152.743  218.773  148.490   67.398   17.640   57.382   18.174 10.01557 25.32702 
1 1 1  -19    1   30 o   48.493   12.781   95.090  113.065  231.804  168.125 -17.7957  152.772   58.902   19.396   38.085   16.649 20.81646 25.56140 
1 1 1  -19    1   31 o   40.608   12.276   17.167  112.580  -3.1253  158.553   37.800  159.880   39.253   17.064   41.963   17.653 -2.710522 24.55238 
1 1 1  -19    1   32 o   37.525   11.332 -12.4833  100.329   97.881  147.466 -107.5932  136.896   44.473   17.601   30.576   14.278 13.89769 22.66382 
1 1 1  -19    1   33 o  ?   ?  -753.8071  145.817   0.0000   0.0000 -753.8071  145.817  ?   ?   ?   ?       ?      ? 
1 1 1  -19    1   34 o   41.184   12.367   64.768  112.486   72.640  164.260   57.816  154.359   42.040   17.800   40.328   17.172 1.712128 24.73349 
1 1 1  -19    3    1 o  222.009   2.8757  3134.83   80.954  3267.37  113.164  2995.92  115.855  226.823   3.9287  217.194   4.2004 9.629120 5.751304 
1 1 1  -19    3    2 o  347.190   4.7925  7655.85  211.303   0.0000   0.0000  7655.85  211.303  ?   ?   347.190   4.7925      ?      ? 
1 1 1  -19    3    3 o  502.816   5.3478 15899.83  315.988 15639.00  379.040 16494.12  572.146  496.184   6.0154  509.448   8.8436 -13.26474 10.69552 
1 1 1  -19    3    4 o  1020.36   9.9002 66263.10  1207.29 66283.04  1476.25 66222.86  2097.82  1020.97   11.386  1019.75   16.199 1.220093 19.80047 
1 1 1  -19    3    5 o  198.605   3.6201  2451.01   87.911  2701.94  148.654  2316.06  109.018  206.246   5.6756  190.964   4.4954 15.28214 7.240243 
1 1 1  -19    3    6 o  430.323   3.9034 11709.78  212.637 11143.03  287.157 12397.80  316.393  418.850   5.3986  441.797   5.6393 -22.94699 7.806871 
1 1 1  -19    3    7 o  476.783   4.2564 14403.19  257.029 13970.51  348.870 14916.86  380.124  468.976   5.8578  484.589   6.1769 -15.61340 8.512852 
1 1 1  -19    3    8 o  339.461   4.8821  7318.81  210.463  7318.81  210.463   0.0000   0.0000  339.461   4.8821  ?   ?       ?      ? 
1 1 1  -19    3    9 o  562.096   4.8588 20025.92  346.414 21044.01  505.168 19122.22  475.944  575.549   6.9116  548.643   6.8311 26.90619 9.717666 
1 1 1  -19    3   10 o  613.534   5.2558 23911.85  409.271 23837.17  568.916 23991.96  589.211  612.547   7.3136  614.522   7.5502 -1.974976 10.51159 
1 1 1  -19    3   11 o  277.792   5.2478  4901.15  185.130  4901.15  185.130   0.0000   0.0000  277.792   5.2478  ?   ?       ?      ? 
1 1 1  -19    3   12 o  655.255   5.6060 27275.87  466.339 27209.79  650.879 27345.57  668.478  654.444   7.8316  656.066   8.0235 -1.622192 11.21204 
1 1 1  -19    3   13 o  720.883   8.5732 33019.28  784.849 33019.28  784.849   0.0000   0.0000  720.883   8.5732  ?   ?       ?      ? 
1 1 1  -19    3   14 o  832.972   9.6975 44095.40  1025.81 44095.40  1025.81   0.0000   0.0000  832.972   9.6975  ?   ?       ?      ? 
1 1 1  -19    3   15 o  340.665   4.4468  7304.68  175.458  7210.40  208.310  7534.89  325.511  336.943   4.8683  344.388   7.4429 -7.445374 8.893625 
1 1 1  -19    3   16 f  279.531   4.3252  4893.97  139.982  4797.75  165.886  5131.93  260.876  274.848   4.7527  284.214   7.2279 -9.365662 8.650473 
1 1 1  -19    3   17 o  251.469   5.0353  4016.67  160.801  4016.67  160.801   0.0000   0.0000  251.469   5.0353  ?   ?       ?      ? 
1 1 1  -19    3   18 o  139.337   6.1404  1260.41  100.590  1305.91  122.373  1165.62  176.631  143.340   6.7226  135.333   10.277 8.006729 12.28085 
1 1 1  -19    3   19 o  425.296   4.8312 11484.13  235.355 11458.41  278.037 11549.15  442.054  424.606   5.1563  425.985   8.1715 -1.379059 9.662358 
1 1 1  -19    3   20 o  191.359   5.0221  2384.39  117.729  2568.86  151.540  2103.57  186.976  200.977   5.9375  181.741   8.1013 19.23582 10.04415 
1 1 1  -19    3   21 o  334.089   4.5838  7071.94  181.189  7018.77  219.081  7187.02  322.318  332.241   5.1925  335.937   7.5552 -3.696411 9.167524 
1 1 1  -19    3   22 o  288.406   4.5241  5315.29  156.505  5358.97  192.463  5230.01  268.899  290.279   5.2210  286.533   7.3899 3.746063 9.048143 
1 1 1  -19    3   23 o  140.090   7.3680  1371.10  115.487  1551.85  140.177  989.179  203.757  156.068   7.0727  124.111   12.928 31.95711 14.73605 
1 1 1  -19    3   24 o   39.859   11.248   37.737   87.135  106.961  133.851 -13.1745  114.789   46.020   17.128   33.699   14.584 12.32148 22.49586 
1 1 1  -19    3   25 o   69.857   10.210  319.975   87.032  391.028  134.014  268.152  114.451   76.573   14.308   63.141   14.570 13.43193 20.42029 
1 1 1  -19    3   26 o  212.537   4.2638  2884.28  114.397  2834.00  170.554  2925.40  154.237  210.802   6.3710  214.272   5.6682 -3.470337 8.527514 
1 1 1  -19    3   27 o  501.345   6.6928 16046.97  426.112 16046.97  426.112   0.0000   0.0000  501.345   6.6928  ?   ?       ?      ? 
1 1 1  -19    3   28 o  118.145   7.3271  905.475  109.167  821.234  158.710  981.119  150.395  112.770   11.082  123.520   9.5878 -10.74992 14.65417 
1 1 1  -19    3   29 o   72.798   11.992  349.932  109.848  508.199  170.999  238.735  143.333   86.339   16.191   59.256   17.695 27.08329 23.98415 
1 1 1  -19    3   30 o   68.074   12.828  299.427  113.370  466.987  185.604  199.704  143.185   81.412   18.387   54.736   17.893 26.67635 25.65622 
1 1 1  -19    3   31 f   65.128   12.869  307.489  110.139  279.006  172.591  327.057  143.054   62.461   19.568   67.795   16.720 -5.333729 25.73838 
1 1 1  -19    3   32 o   22.580   7.9976 -364.7549   97.624 -402.3054  143.503 -332.4049  133.195   22.519   11.314   22.641   11.306 -0.1222935 15.99516 
1 1 1  -19    3   33 o   36.746   11.399  -5.5952  104.337 -70.8312  149.797   55.877  145.411   33.336   15.345   40.156   16.861 -6.820599 22.79862 
1 1 1  -19    3   34 o   49.434   12.450  157.442  105.148  303.147  160.494   47.871  139.178   60.728   18.844   38.139   16.275 22.58905 24.89918 
1 1 1  -19    5    1 o  375.709   3.5853  8964.51  170.983  8935.03  238.076  8995.92  245.718  375.072   4.9983  376.345   5.1413 -1.272736 7.170501 
1 1 1  -19    5    2 o  208.733   3.1012  2767.25   82.116  2770.72  113.540  2763.44  118.904  208.872   4.2805  208.595   4.4886 0.2766876 6.202453 
1 1 1  -19    5    3 o  380.799   3.6392  9212.41  175.938  9334.04  246.949  9087.03  250.721  383.354   5.0726  378.245   5.2196 5.109711 7.278440 
1 1 1  -19    5    4 o  793.360   6.4025 39955.91  644.586 41154.80  933.676 38864.15  890.986  804.712   9.1365  782.009   8.9718 22.70288 12.80503 
1 1 1  -19    5    5 o  726.123   5.9334 33494.23  547.050 34085.05  781.836 32927.52  765.708  732.394   8.4061  719.852   8.3761 12.54163 11.86681 
1 1 1  -19    5    6 o  663.001   5.5160 27929.00  464.351 27938.50  651.109 27919.16  662.421  663.119   7.7319  662.882   7.8690 0.2370605 11.03191 
1 1 1  -19    5    7 o  435.731   4.1455 12048.14  229.242 12668.29  329.466 11466.13  319.173  446.591   5.8093  424.871   5.9155 21.72049 8.291008 
1 1 1  -19    5    8 o  956.625   7.6415 58137.30  927.785 57187.12  1286.39 59167.38  1339.39  948.496   10.680  964.753   10.932 -16.25684 15.28305 
1 1 1  -19    5    9 o  202.612   3.8882  2608.68   99.978  2711.83  141.188  2504.93  141.593  206.633   5.3805  198.592   5.6144 8.041580 7.776322 
1 1 1  -19    5   11 o  286.035   4.2346  5246.61  147.259  5376.02  184.640  5020.43  244.107  290.942   4.9974  281.128   6.8375 9.814728 8.469105 
1 1 1  -19    5   12 o  631.406   6.1358 25367.78  433.635 25408.60  505.616 25254.26  843.227  632.469   6.2951  630.343   10.534 2.125671 12.27158 
1 1 1  -19    5   13 o  485.073   5.0677 15091.07  281.739 15285.49  334.225 14613.72  523.703  490.576   5.3648  479.571   8.5991 11.00470 10.13540 
1 1 1  -19    5   14 o  717.042   6.8503 31999.68  532.240 31399.95  607.508 33980.08  1103.95  703.057   6.8043  731.026   11.892 -27.96899 13.70064 
1 1 1  -19    5   15 o   68.185   10.030  285.738   86.110  165.418  111.528  463.335  135.498   51.021   15.688   85.349   12.501 -34.32796 20.06006 
1 1 1  -19    5   16 o  557.063   5.5538 19808.74  350.515 19916.23  412.000 19527.07  666.956  559.921   5.7942  554.205   9.4765 5.716614 11.10753 
1 1 1  -19    5   17 o  174.375   4.7900  1945.46  100.605  1973.85  124.459  1891.93  170.890  176.252   5.5605  172.499   7.8011 3.753296 9.579971 
1 1 1  -19    5   18 o  310.062   4.2310  6119.58  154.361  6132.24  186.196  6091.76  276.033  310.648   4.7198  309.476   7.0235 1.171722 8.462069 
1 1 1  -19    5   19 f  291.543   4.3319  5485.63  151.555  5660.56  187.653  5157.47  257.012  298.411   4.9518  284.674   7.1093 13.73694 8.663874 
1 1 1  -19    5   20 o  244.870   4.4106  3799.51  131.898  3759.56  164.839  3870.61  219.908  243.152   5.3383  246.587   7.0225 -3.434204 8.821183 
1 1 1  -19    5   21 o   58.027   11.334  230.752   95.776  340.552  123.433   64.620  151.830   71.618   14.074   44.436   17.771 27.18159 22.66897 
1 1 1  -19    5   22 o  126.709   7.2099  1076.78  107.577  1184.57  133.743  879.222  181.059  136.318   7.7258  117.100   12.175 19.21741 14.41976 
1 1 1  -19    5   23 o  174.195   5.4926  1922.56  117.065  1888.13  146.431  1983.53  194.871  172.149   6.6981  176.240   8.7070 -4.090057 10.98523 
1 1 1  -19    5   24 o  151.065   6.4521  1455.92  118.100  1447.11  146.355  1472.37  199.955  150.575   7.6538  151.555   10.389 -0.9796906 12.90418 
1 1 1  -19    5   25 o  125.657   15.120  992.108  176.482  1187.80  439.670  954.523  192.686  129.685   27.547  121.630   12.475 8.055061 30.24017 
1 1 1  -19    5   26 o   23.586   8.2806 -323.5659   95.388 -367.0576  139.921 -285.8013  130.383   23.264   11.613   23.909   11.807 -0.6442089 16.56115 
1 1 1  -19    5   27 o   60.113   10.852  237.493  102.711  -2.9382  156.229  420.523  136.310   39.788   17.117   80.437   13.344 -40.64877 21.70415 
1 1 1  -19    5   28 o   94.517   8.9634  585.576  104.954  560.366  165.735  602.455  135.612   92.535   14.104   96.500   11.066 -3.965500 17.92679 
1 1 1  -19    5   29 o   66.571   12.426  325.149  107.850  213.982  181.509  385.816  134.087   57.869   20.144   75.273   14.554 -17.40458 24.85125 
1 1 1  -19    5   30 o   51.420   13.394  156.926  110.579  149.778  194.783  160.325  134.323   52.817   20.424   50.023   17.334 2.793530 26.78830 
1 1 1  -19    5   31 o   23.594   8.4022 -412.5975  105.934 -427.0107  174.421 -404.1737  133.344   25.974   12.965   21.213   10.690 4.761372 16.80440 
1 1 1  -19    5   32 o   87.374   16.059  553.656  171.626   0.0000   0.0000  553.656  171.626  ?   ?    87.374   16.059      ?      ? 
1 1 1  -19    5   33 o   34.465   10.583 -137.5479  104.672 -410.5256  147.158  141.979  148.913   22.479   11.316   46.451   17.888 -23.97238 21.16624 
1 1 1  -19    5   34 o   39.890   12.646   23.601  124.575   43.939  220.925   14.120  150.844   43.170   19.380   36.610   16.251 6.559391 25.29211 
1 1 1  -19    7    1 o  490.670   4.4215 15269.75  274.731 15002.15  373.290 15585.99  405.798  485.992   6.0484  495.347   6.4509 -9.354980 8.842939 
1 1 1  -19    7    2 o  745.931   8.5669 35354.14  811.526 35354.14  811.526   0.0000   0.0000  745.931   8.5669  ?   ?       ?      ? 
1 1 1  -19    7    3 o  1107.16   8.7433 77768.66  1227.04 75239.93  1675.30 80695.13  1802.24  1087.82   12.127  1126.50   12.598 -38.68518 17.48651 
1 1 1  -19    7    4 o  433.610   4.8312 11976.50  254.399 12057.43  317.009 11830.11  426.377  435.701   5.7293  431.520   7.7806 4.181091 9.662488 
1 1 1  -19    7    5 o  450.006   4.6574 12885.54  233.214 12909.55  271.064 12817.12  457.571  450.857   4.7343  449.155   8.0220 1.701141 9.314846 
1 1 1  -19    7    6 o  833.923   7.7803 43401.45  698.612 42712.37  795.679 45720.10  1459.56  819.962   7.6413  847.884   13.555 -27.92175 15.56066 
1 1 1  -19    7    7 o  809.980   7.5385 41565.65  671.375 41432.34  774.575 41968.33  1346.20  807.581   7.5527  812.379   13.049 -4.798462 15.07703 
1 1 1  -19    7    8 o  638.326   6.1711 25371.04  427.665 24905.82  488.625 26894.35  884.187  626.182   6.1446  650.469   10.704 -24.28687 12.34216 
1 1 1  -19    7    9 o  200.708   4.2207  2561.72  101.825  2568.11  125.290  2549.28  174.757  201.088   4.9063  200.329   6.8693 0.7590942 8.441496 
1 1 1  -19    7   10 o  318.712   7.0175  6452.75  284.028   0.0000   0.0000  6452.75  284.028  ?   ?   318.712   7.0175      ?      ? 
1 1 1  -19    7   11 o  764.347   7.2128 36806.61  605.611 36487.59  697.445 37784.39  1221.01  757.862   7.2467  770.833   12.473 -12.97101 14.42565 
1 1 1  -19    7   12 o  374.960   4.3678  9012.89  192.595  9152.67  233.007  8711.43  342.185  379.620   4.8333  370.301   7.2766 9.318878 8.735527 
1 1 1  -19    7   13 o   79.178   10.572  412.006  102.342  416.125  147.682  408.199  141.955   79.537   15.175   78.819   14.724 0.7180710 21.14386 
1 1 1  -19    7   14 o  379.387   4.4227  8889.04  191.599  8580.15  224.180  9726.13  369.043  367.542   4.8030  391.233   7.4279 -23.69171 8.845447 
1 1 1  -19    7   15 o  498.642   5.1367 15537.26  285.916 15254.08  331.289 16363.88  566.021  490.005   5.3239  507.279   8.7863 -17.27383 10.27343 
1 1 1  -19    7   16 o  288.161   4.0824  5187.16  139.577  5031.61  168.302  5529.81  249.796  281.409   4.7095  294.914   6.6698 -13.50565 8.164886 
1 1 1  -19    7   17 o  284.728   4.1816  5094.55  142.144  4981.81  172.702  5331.31  250.274  279.968   4.8575  289.487   6.8078 -9.518677 8.363117 
1 1 1  -19    7   18 o  302.265   4.1512  5815.74  150.024  5825.46  183.581  5796.21  260.301  302.730   4.7753  301.801   6.7917 0.9287415 8.302414 
1 1 1  -19    7   19 o  322.799   4.2948  6713.85  164.966  6879.82  202.176  6383.23  285.351  328.960   4.8396  316.638   7.0964 12.32193 8.589550 
1 1 1  -19    7   20 o  223.515   4.4960  3203.07  122.742  3267.28  154.633  3093.72  201.802  226.642   5.3726  220.387   7.2105 6.255280 8.991944 
1 1 1  -19    7   21 o  147.183   5.8378  1373.31  105.971  1346.77  134.081  1417.49  172.969  145.376   7.2626  148.989   9.1419 -3.612518 11.67565 
1 1 1  -19    7   22 o  145.286   6.1616  1302.30  111.655  1102.06  142.640  1619.14  179.422  131.371   8.5500  159.200   8.8747 -27.82947 12.32323 
1 1 1  -19    7   23 o   70.353   11.775  338.911  102.739  364.280  133.953  302.667  160.112   73.760   14.815   66.946   18.307 6.814240 23.55035 
1 1 1  -19    7   24 o  135.999   6.6736  1210.41  112.700  1361.11  151.093  1021.42  169.204  145.903   8.1546  126.096   10.567 19.80717 13.34726 
1 1 1  -19    7   25 f   71.554   13.967  326.904  153.988   38.086  221.149  598.732  214.546   49.390   20.769   93.719   18.682 -44.32933 27.93501 
1 1 1  -19    7   26 o   25.851   9.1911 -456.7004  121.194 -373.2089  144.310 -656.5083  223.245   23.712   11.829   27.991   14.070 -4.278812 18.38225 
1 1 1  -19    7   27 o   40.823   11.437   53.355   94.833 -136.7335  177.414  129.393  112.208   35.584   16.493   46.061   15.849 -10.47676 22.87411 
1 1 1  -19    7   28 f   36.754   11.129  -8.3307   97.285 -197.0065  178.814   70.997  115.946   33.268   15.774   40.239   15.703 -6.970764 22.25783 
1 1 1  -19    7   29 o   60.108   12.768  233.930   99.847  319.418  178.013  194.690  120.604   66.901   19.655   53.315   16.301 13.58630 25.53523 
1 1 1  -19    7   30 o   51.747   12.936  172.829  101.117  182.609  180.236  168.336  122.151   53.681   19.896   49.812   16.539 3.868797 25.87207 
1 1 1  -19    7   31 o  271.504   5.8816  4751.91  202.790   0.0000   0.0000  4751.91  202.790  ?   ?   271.504   5.8816      ?      ? 
1 1 1  -19    7   32 f   38.223   16.128   47.122  134.096   0.0000   0.0000   47.122  134.096  ?   ?    38.223   16.128      ?      ? 
1 1 1  -19    7   33 o   67.184   16.150  352.758  136.089   0.0000   0.0000  352.758  136.089  ?   ?    67.184   16.150      ?      ? 
1 1 1  -19    9    1 o  491.669   5.3962 15612.50  329.086 16770.88  431.767 14006.77  508.349  513.825   6.6169  469.513   8.5258 44.31189 10.79231 
1 1 1  -19    9    2 o  974.069   8.8787 61168.29  972.578 62163.11  1141.43 58532.11  1858.08  989.066   9.0876  959.073   15.256 29.99255 17.75732 
1 1 1  -19    9    3 o  425.392   4.8494 11764.17  251.767 12603.98  321.724 10437.35  404.391  445.466   5.6871  405.318   7.8565 40.14783 9.698843 
1 1 1  -19    9    4 o  694.128   6.5873 30930.46  514.205 31298.92  602.760 29945.52  985.489  701.934   6.7619  686.322   11.307 15.61182 13.17464 
1 1 1  -19    9    5 o  294.822   4.0847  5386.92  137.238  5225.96  160.538  5823.84  264.499  286.859   4.4069  302.784   6.8788 -15.92447 8.169385 
1 1 1  -19    9    6 o  466.148   4.8974 13691.46  256.606 13564.74  299.112 14044.68  499.397  462.145   5.0966  470.151   8.3643 -8.005951 9.794738 
1 1 1  -19    9    7 o  732.436   6.9504 33556.77  554.533 33061.73  635.105 35144.93  1137.56  721.420   6.9323  743.452   12.049 -22.03192 13.90076 
1 1 1  -19    9    8 o  170.382   4.4380  1888.11   90.045  1980.09  111.182  1712.77  153.506  176.569   4.9584  164.194   7.3619 12.37549 8.876013 
1 1 1  -19    9    9 o  178.201   4.2722  2041.62   91.373  2094.83  112.961  1940.92  155.405  181.612   4.8978  174.790   7.0012 6.822067 8.544308 
1 1 1  -19    9   10 o  403.363   4.5302 10068.10  204.539  9783.74  236.815 10903.22  405.836  392.484   4.7513  414.243   7.7147 -21.75848 9.060394 
1 1 1  -19    9   11 o  290.702   4.0140  5414.25  138.694  5501.62  169.389  5236.52  241.587  294.314   4.5321  287.090   6.6264 7.223846 8.027987 
1 1 1  -19    9   12 o  285.842   4.0155  5207.03  136.985  5238.36  167.505  5143.77  238.027  287.172   4.5931  284.511   6.5880 2.660919 8.031053 
1 1 1  -19    9   13 o   40.862   10.782   80.163   73.220   80.451   92.092   79.669  120.724   39.294   14.277   42.430   16.162 -3.135921 21.56490 
1 1 1  -19    9   14 o  241.947   3.9858  3773.52  116.824  3905.60  146.281  3540.92  194.116  247.918   4.6463  235.976   6.4776 11.94136 7.971648 
1 1 1  -19    9   15 o  210.291   4.1869  2827.11  106.221  2860.68  131.544  2764.20  180.072  212.146   4.8827  208.436   6.8029 3.710007 8.373787 
1 1 1  -19    9   16 o  195.740   4.2419  2428.27  103.896  2387.09  135.259  2487.53  162.260  193.751   5.4973  197.730   6.4619 -3.979095 8.483888 
1 1 1  -19    9   17 o  140.144   6.3914  1306.74  108.619  913.182  159.803  1644.71  148.087  119.571   10.524  160.717   7.2557 -41.14637 12.78280 
1 1 1  -19    9   18 o  157.962   4.9239  1571.96   97.869  1471.88  128.445  1710.49  151.118  152.052   6.6520  163.873   7.2616 -11.82091 9.847816 
1 1 1  -19    9   19 o  163.407   5.0906  1703.59  104.345  1716.28  137.531  1686.39  160.175  164.170   6.5968  162.644   7.7549 1.525543 10.18116 
1 1 1  -19    9   20 o  245.167   4.2670  3832.01  128.094  3846.25  161.223  3807.63  210.942  245.875   5.1634  244.460   6.7948 1.414841 8.534061 
1 1 1  -19    9   21 o  116.863   6.7242  885.275   97.946  945.728  129.577  804.689  149.604  121.678   8.3856  112.048   10.514 9.629868 13.44841 
1 1 1  -19    9   22 o   43.559   11.788   74.140   95.161  145.182  133.262   0.2229  135.932   49.549   17.260   37.569   16.059 11.97975 23.57512 
1 1 1  -19    9   23 o   97.302   8.9684  573.286  106.754  474.665  131.169  766.763  183.723   85.774   12.042  108.829   13.294 -23.05467 17.93673 
1 1 1  -19    9   24 o  431.559   5.5476 12238.04  291.798 13272.87  374.054 10629.28  466.385  456.023   6.4591  407.094   9.0214 48.92889 11.09525 
1 1 1  -19    9   25 o  103.276   8.7841  687.299  114.659  649.436  153.389  735.248  172.612  100.134   12.062  106.417   12.773 -6.283531 17.56825 
1 1 1  -19    9   26 o  102.470   9.6445  690.441  124.759  736.612  171.559  638.620  181.754  106.324   12.706   98.616   14.513 7.707230 19.28904 
1 1 1  -19    9   27 o   78.714   12.521  434.710  122.344  483.229  170.564  383.293  175.585   83.662   16.640   73.767   18.714 9.895447 25.04185 
1 1 1  -19    9   28 o   59.852   13.729  247.345  119.982  210.355  167.922  285.926  171.496   56.246   19.387   63.459   19.444 -7.213413 27.45785 
1 1 1  -19    9   29 o   30.460   10.365 -174.1619   98.974 -118.2213  191.117 -194.6630  115.697   36.894   17.107   24.026   11.711 12.86789 20.73090 
1 1 1  -19    9   31 o   29.415   13.747 -89.0043  127.299   0.0000   0.0000 -89.0043  127.299  ?   ?    29.415   13.747      ?      ? 
1 1 1  -19   11    1 o  650.347   6.2124 27212.44  454.042 27601.85  532.371 26173.41  869.603  659.143   6.3600  641.551   10.674 17.59229 12.42482 
1 1 1  -19   11    2 o  154.106   4.4857  1449.74   80.407  1369.03   94.889  1655.28  151.429  146.811   5.0895  161.401   7.3879 -14.59001 8.971353 
1 1 1  -19   11    3 o  294.415   4.0131  5536.95  134.605  5576.35  158.823  5436.50  253.601  296.312   4.2207  292.517   6.8269 3.795135 8.026251 
1 1 1  -19   11    4 o  477.063   4.9275 14648.55  268.356 14897.97  317.881 14029.87  500.643  484.294   5.1687  469.831   8.3909 14.46359 9.855062 
1 1 1  -19   11    5 o  215.382   3.9782  2972.57  101.030  3017.28  122.487  2877.42  178.692  217.957   4.4253  212.808   6.6121 5.149475 7.956342 
1 1 1  -19   11    6 o  336.791   4.5437  7241.36  192.183  7457.00  255.728  6961.55  291.310  342.597   5.8778  330.984   6.9306 11.61365 9.087472 
1 1 1  -19   11    7 o  360.090   4.2232  8351.77  177.328  8531.70  213.449  7950.94  318.585  366.486   4.5863  353.694   7.0928 12.79172 8.446434 
1 1 1  -19   11    8 o  166.477   4.4335  1762.95   90.453  1767.37  113.940  1755.41  148.746  166.780   5.3797  166.174   7.0486 0.6053009 8.867025 
1 1 1  -19   11    9 o  412.249   4.5558 10853.61  217.891 10927.36  260.274 10680.82  398.369  414.700   4.9422  409.798   7.6549 4.902161 9.111655 
1 1 1  -19   11   10 o  158.602   4.4554  1613.47   85.766  1648.80  107.241  1550.77  142.864  161.066   5.2430  156.139   7.2050 4.927322 8.910738 
1 1 1  -19   11   11 o  461.473   4.9097 13436.90  259.182 13293.58  305.300 13806.72  490.427  457.299   5.2571  465.648   8.2935 -8.348663 9.819360 
1 1 1  -19   11   12 o  539.657   5.4929 18172.80  329.973 17787.94  381.539 19314.98  657.276  528.893   5.6806  550.421   9.4032 -21.52765 10.98585 
1 1 1  -19   11   13 o  351.433   4.2654  7869.31  176.555  7891.45  213.193  7820.98  314.991  352.340   4.7647  350.527   7.0762 1.812958 8.530800 
1 1 1  -19   11   14 o  247.785   4.0272  3893.54  118.615  3872.19  144.088  3938.42  208.926  246.809   4.5972  248.761   6.6135 -1.952179 8.054335 
1 1 1  -19   11   15 o   67.946   9.6141  317.199   78.886  369.034  101.763  239.146  124.874   75.992   10.545   59.901   16.079 16.09049 19.22826 
1 1 1  -19   11   16 o   90.618   7.2895  524.080   82.181  520.656  105.927  529.258  130.253   90.307   9.2365   90.929   11.280 -0.6220779 14.57903 
1 1 1  -19   11   17 o  190.820   4.4301  2304.46  104.072  2262.89  131.335  2374.61  170.615  188.582   5.4841  193.058   6.9591 -4.475266 8.860237 
1 1 1  -19   11   18 o  206.726   4.5116  2725.77  115.235  2738.00  147.064  2706.32  185.475  207.404   5.5836  206.048   7.0883 1.356018 9.023279 
1 1 1  -19   11   19 o  114.206   6.6100  821.737   95.122  712.907  126.040  965.744  144.986  105.551   9.4031  122.861   9.2925 -17.31052 13.21999 
1 1 1  -19   11   20 o  107.723   7.0692  739.485   96.271  697.330  128.937  792.595  144.723  104.303   9.7342  111.143   10.254 -6.839531 14.13832 
1 1 1  -19   11   21 o   38.666   11.669   0.4764   97.210 -17.8151  120.949   33.854  163.382   34.175   14.880   43.157   17.978 -8.982441 23.33739 
1 1 1  -19   11   22 o  486.304   5.7570 15208.61  337.619 15367.64  417.926 14909.85  572.821  490.610   6.7079  481.999   9.3583 8.611115 11.51403 
1 1 1  -19   11   23 o   46.749   12.596   82.305  108.408  -4.7187  146.634  187.208  160.993   38.455   16.563   55.044   18.982 -16.58865 25.19257 
1 1 1  -19   11   24 o  156.957   6.2235  1576.41  122.339  1544.04  159.552  1622.58  190.579  155.153   8.0978  158.761   9.4526 -3.607697 12.44692 
1 1 1  -19   11   25 o   72.037   12.345  356.819  114.709  235.157  157.063  495.894  167.927   58.997   18.691   85.078   16.133 -26.08041 24.69098 
1 1 1  -19   11   26 f   50.429   13.423  142.167  116.850  144.775  168.034  139.724  162.601   50.824   19.136   50.034   18.827 0.7900467 26.84520 
1 1 1  -19   11   27 o   67.342   13.430  380.765  155.658 -315.6834  344.440  559.503  174.493   45.317   21.602   89.368   15.961 -44.05087 26.85912 
1 1 1  -19   11   28 o   38.002   12.924 -254.6339  161.121 -131.5789  291.797 -308.6084  193.253   45.273   21.042   30.732   15.013 14.54114 25.84838 
1 1 1  -19   11   29 o   36.786   12.590 -243.9369  163.788 -251.8427  294.196 -240.3859  197.171   40.993   19.655   32.579   15.739 8.414051 25.18056 
1 1 1  -19   13    1 o  243.890   3.9937  3883.74  114.481  4068.03  139.695  3506.86  199.765  253.008   4.3478  234.773   6.7003 18.23529 7.987330 
1 1 1  -19   13    2 o  212.783   4.1273  2886.11  102.777  2896.97  123.488  2861.61  185.402  213.499   4.5546  212.066   6.8844 1.433655 8.254655 
1 1 1  -19   13    3 o  270.787   4.0135  4610.75  125.047  4541.77  147.711  4785.23  234.926  267.333   4.3509  274.241   6.7456 -6.907806 8.027063 
1 1 1  -19   13    4 o  135.175   4.8699  1162.84   80.288  1163.12  100.432  1162.32  133.643  135.239   5.8478  135.111   7.7889 0.1279755 9.739815 
1 1 1  -19   13    5 o  442.911   5.0322 12470.75  283.044 12470.75  283.044   0.0000   0.0000  442.911   5.0322  ?   ?       ?      ? 
1 1 1  -19   13    6 o  317.590   4.1439  6258.27  150.423  6065.76  176.273  6774.07  288.537  308.930   4.4931  326.249   6.9642 -17.31949 8.287872 
1 1 1  -19   13    7 o  300.483   4.0470  5716.85  143.315  5674.45  172.703  5810.63  256.834  298.790   4.5515  302.176   6.6929 -3.385498 8.093917 
1 1 1  -19   13    8 o  249.577   3.9522  3985.07  118.656  4036.58  146.527  3886.93  202.236  252.000   4.5787  247.155   6.4434 4.844894 7.904496 
1 1 1  -19   13    9 o  203.572   4.0522  2642.33   99.383  2656.24  122.685  2615.78  169.497  204.410   4.7262  202.734   6.5835 1.676132 8.104322 
1 1 1  -19   13   10 f   34.528   9.9417   16.012   69.983 -27.5080   93.207   72.251  105.955   29.193   12.876   39.863   15.151 -10.67016 19.88330 
1 1 1  -19   13   11 o  454.886   4.8660 13162.58  256.649 13143.26  305.835 13208.58  471.901  454.584   5.2978  455.189   8.1636 -0.6049194 9.731967 
1 1 1  -19   13   12 o  103.972   6.1164  681.056   78.573  654.087   99.284  726.254  128.532  101.302   7.7176  106.641   9.4909 -5.338829 12.23271 
1 1 1  -19   13   13 o   84.785   7.7501  475.501   79.023  515.659   99.715  407.699  129.568   89.884   8.7358   79.686   12.804 10.19763 15.50010 
1 1 1  -19   13   14 o  100.834   6.4875  626.751   81.584  508.147  104.891  808.392  129.805   89.177   9.2620  112.492   9.0865 -23.31473 12.97493 
1 1 1  -19   13   15 f  144.072   5.1911  1325.27   92.998  1331.57  120.076  1315.82  147.015  144.565   6.5406  143.579   8.0629 0.9853668 10.38217 
1 1 1  -19   13   16 o  265.967   4.1771  4490.84  134.029  4458.69  165.196  4552.78  229.270  264.706   4.9143  267.229   6.7559 -2.523468 8.354199 
1 1 1  -19   13   17 o  191.778   4.5455  2334.90  108.575  2295.02  139.907  2395.29  172.158  189.800   5.8045  193.755   6.9967 -3.955521 9.091026 
1 1 1  -19   13   18 o  175.632   5.0671  1920.87  109.341  1789.65  136.244  2158.32  183.272  167.511   6.4046  183.752   7.8539 -16.24098 10.13426 
1 1 1  -19   13   19 o  146.160   6.9632  1199.75  118.218  977.721  137.369  1833.69  232.120  123.536   8.7562  168.784   10.829 -45.24751 13.92649 
1 1 1  -19   13   20 o  199.997   6.7319  2553.14  165.718  1779.57  223.288  3501.74  247.262  166.207   10.579  233.786   8.3284 -67.57997 13.46381 
1 1 1  -19   13   21 o   41.689   12.125   40.078  103.130   12.571  138.731   74.055  154.186   38.561   16.345   44.818   17.914 -6.257545 24.24989 
1 1 1  -19   13   22 o  192.699   5.3042  2400.13  128.404  2559.85  173.228  2205.36  191.294  200.029   6.8194  185.370   8.1261 14.65907 10.60841 
1 1 1  -19   13   23 o   88.756   10.467  532.671  113.295  654.311  161.983  416.177  158.520   99.935   12.764   77.577   16.593 22.35719 20.93390 
1 1 1  -19   13   24 o   57.797   15.067  178.215  130.419  297.061  260.109  138.303  150.736   66.552   24.023   49.043   18.191 17.50901 30.13323 
1 1 1  -19   13   25 o   46.445   14.764 -94.3599  138.453  192.095  329.407 -155.8231  152.585   61.993   25.651   30.897   14.627 31.09573 29.52849 
1 1 1  -19   13   26 o   48.826   13.950  109.323  138.160  186.680  186.088   14.308  206.236   53.587   20.146   44.065   19.302 9.522038 27.89996 
1 1 1  -19   13   27 o   36.931   12.213 -198.8979  150.114 -414.5089  212.110   17.462  212.478   29.966   14.846   43.895   19.396 -13.92928 24.42569 
1 1 1  -19   13   28 o   33.651   16.269 -235.6005  211.592 -235.6005  211.592   0.0000   0.0000   33.651   16.269  ?   ?       ?      ? 
1 1 1  -19   15    1 o  152.787   4.7956  1537.37   85.670  1627.58  104.465  1352.11  149.708  159.963   5.1425  145.611   8.0960 14.35164 9.591198 
1 1 1  -19   15    2 o  297.323   4.1652  5636.67  142.055  5651.06  168.183  5600.86  265.361  298.132   4.4422  296.513   7.0472 1.618774 8.330406 
1 1 1  -19   15    3 o  211.346   4.7534  2802.69  126.566  2510.93  166.747  3199.23  194.399  198.571   6.6125  224.120   6.8303 -25.54832 9.506704 
1 1 1  -19   15    4 o  189.740   4.2852  2312.07   95.324  2346.02  115.027  2237.66  170.315  192.074   4.7158  187.405   7.1564 4.669357 8.570461 
1 1 1  -19   15    5 o  159.464   4.6319  1554.64   87.684  1448.02  104.995  1800.39  159.408  150.859   5.4805  168.069   7.4687 -17.21022 9.263762 
1 1 1  -19   15    6 o  267.162   4.0664  4487.31  126.601  4406.04  150.818  4681.20  232.953  263.234   4.5116  271.090   6.7667 -7.855621 8.132820 
1 1 1  -19   15    7 o  183.591   4.2394  2139.38   94.845  2123.44  118.289  2168.08  158.716  182.701   5.0983  184.480   6.7748 -1.778793 8.478790 
1 1 1  -19   15    8 o  181.020   5.0499  2087.72  115.617  2097.88  171.597  2079.27  156.463  181.393   7.4492  180.647   6.8203 0.7458038 10.09989 
1 1 1  -19   15    9 o  204.056   4.2246  2655.54  105.349  2667.12  132.267  2635.45  174.229  204.743   5.0870  203.368   6.7462 1.375107 8.449199 
1 1 1  -19   15   10 o  407.612   4.6196 10660.80  221.605 10787.00  268.066 10388.38  393.848  411.724   5.1269  403.500   7.6861 8.223389 9.239148 
1 1 1  -19   15   11 o   68.127   9.8387  318.907   82.139  380.008  108.196  235.788  126.193   76.947   11.072   59.306   16.267 17.64093 19.67745 
1 1 1  -19   15   12 o  208.853   4.2854  2813.55  110.079  2927.68  140.883  2634.65  176.381  214.456   5.1730  203.249   6.8335 11.20688 8.570716 
1 1 1  -19   15   13 o   85.374   8.2215  477.537   87.161  520.672  115.375  420.191  133.029   90.089   10.085   80.659   12.987 9.430054 16.44293 
1 1 1  -19   15   14 o  145.085   6.1502  1288.21  105.102  1197.81  124.978  1506.56  194.238  136.963   7.1854  153.207   9.9834 -16.24374 12.30032 
1 1 1  -19   15   15 o   89.227   9.8484  435.610   99.682  314.526  115.648  785.583  196.613   68.474   13.777  109.981   14.077 -41.50773 19.69681 
1 1 1  -19   15   16 o  303.281   8.4287  5892.12  324.625   0.0000   0.0000  5892.12  324.625  ?   ?   303.281   8.4287      ?      ? 
1 1 1  -19   15   17 o  101.727   8.8780  633.639  111.320  516.513  138.707  845.605  186.596   89.306   12.230  114.148   12.872 -24.84187 17.75601 
1 1 1  -19   15   18 o  216.300   4.8080  2990.07  129.429  2987.85  167.178  2993.39  204.485  216.344   6.0850  216.257   7.4459 0.8660889E-01 9.616008 
1 1 1  -19   15   19 o   61.143   12.252  252.133  100.997  190.229  138.814  321.762  147.219   54.004   17.616   68.283   17.034 -14.27883 24.50481 
1 1 1  -19   15   20 o  189.469   7.4983  2477.54  160.591  1215.22  225.234  3782.81  229.033  136.141   13.028  242.798   7.4281 -106.6567 14.99653 
1 1 1  -19   15   21 o   61.682   10.737  227.173  106.663  494.530  153.308 -23.6596  148.495   86.330   13.984   37.035   16.297 49.29485 21.47383 
1 1 1  -19   15   22 o  133.583   8.7211  1113.66  138.727  1383.83  253.119  997.657  165.856  143.762   13.865  123.403   10.583 20.35827 17.44230 
1 1 1  -19   15   23 o   73.924   14.121  422.986  133.471  345.019  234.826  460.195  162.223   67.652   22.935   80.195   16.480 -12.54351 28.24154 
1 1 1  -19   15   24 o  208.969   6.3007  2763.57  163.982  2198.03  210.915  3627.86  260.740  182.791   9.0861  235.148   8.7315 -52.35759 12.60141 
1 1 1  -19   15   25 o  101.938   11.578  765.402  141.860  732.091  224.083  787.681  183.258   97.639   18.754  106.237   13.583 -8.597588 23.15623 
1 1 1  -19   15   26 o   58.463   20.278  281.894  183.862  281.894  183.862   0.0000   0.0000   58.463   20.278  ?   ?       ?      ? 
1 1 1  -19   17    1 o  218.620   4.5537  3063.03  114.438  3083.99  135.847  3011.81  212.378  220.116   4.8598  217.125   7.7023 2.991547 9.107349 
1 1 1  -19   17    2 o  129.424   6.0073  1066.21   89.400  1059.03  105.803  1084.13  167.160  128.868   6.4651  129.980   10.127 -1.111954 12.01469 
1 1 1  -19   17    3 o  159.442   5.3481  1719.02   94.600  1837.59  111.930  1422.55  176.992  169.881   5.1883  149.003   9.3536 20.87778 10.69618 
1 1 1  -19   17    4 o  327.724   4.3695  6882.79  166.503  6937.11  199.312  6757.33  302.924  330.142   4.7539  325.306   7.3327 4.835815 8.738900 
1 1 1  -19   17    5 o  295.507   4.3027  5651.20  148.435  5788.70  179.006  5348.54  265.572  301.587   4.6739  289.428   7.2254 12.15903 8.605338 
1 1 1  -19   17    6 o  128.650   6.0573  1041.14   90.783  1014.68  107.975  1104.96  167.691  126.102   6.7425  131.197   10.065 -5.095497 12.11458 
1 1 1  -19   17    7 o   88.409   8.4949  479.208   88.342  441.684  104.812  571.264  164.165   82.949   9.9500   93.869   13.771 -10.92044 16.98983 
1 1 1  -19   17    8 o  195.885   4.8347  2369.60  115.165  2191.04  141.333  2722.43  198.671  185.380   6.0035  206.390   7.5800 -21.01022 9.669421 
1 1 1  -19   17    9 o   27.338   13.423 -407.9954   93.376 -453.7079  114.776 -318.5206  160.578  ?   ?    27.338   13.423      ?      ? 
1 1 1  -19   17   10 o  355.558   4.9659  8204.21  211.421  8482.06  261.420  7678.85  359.461  364.778   5.6433  346.338   8.1729 18.44052 9.931880 
1 1 1  -19   17   11 o   35.482   11.834 -206.3238  139.045 -179.9026  194.429 -233.9818  198.927   36.152   16.925   34.811   16.544 1.341373 23.66788 
1 1 1  -19   17   12 o  165.768   5.9180  1692.80  117.083  1572.81  140.877  1960.79  210.532  156.860   7.0721  174.677   9.4909 -17.81683 11.83603 
1 1 1  -19   17   13 o  394.500   4.9034  9795.03  231.490  9501.46  281.486 10408.42  406.884  385.930   5.7434  403.071   7.9490 -17.14160 9.806794 
1 1 1  -19   17   14 o  151.496   6.0831  1446.32  113.858  1361.76  143.385  1590.64  187.318  145.776   7.7453  157.217   9.3822 -11.44064 12.16617 
1 1 1  -19   17   15 o   95.976   9.7270  655.544  106.591  813.605  139.866  436.570  164.626  112.280   9.8092   79.672   16.800 32.60747 19.45406 
1 1 1  -19   17   16 o  177.109   5.1778  2003.18  112.682  1976.65  141.993  2048.30  185.186  175.755   6.3618  178.464   8.1711 -2.709824 10.35564 
1 1 1  -19   17   17 o  172.458   5.4375  1911.05  114.907  1905.04  144.596  1921.37  189.290  172.382   6.6052  172.534   8.6392 -0.1522827 10.87498 
1 1 1  -19   17   18 o   61.746   12.446  268.590  102.306  252.378  141.020  286.602  148.647   59.911   17.463   63.581   17.738 -3.669682 24.89199 
1 1 1  -19   17   19 o   53.909   13.826  188.587  121.884  136.326  201.845  218.580  152.910   51.730   20.554   56.089   18.498 -4.358315 27.65268 
1 1 1  -19   17   20 o  118.805   8.4323  958.843  123.285  697.360  173.737  1224.06  174.971  101.372   13.496  136.239   10.113 -34.86720 16.86453 
1 1 1  -19   17   21 o  194.962   7.2430  2636.52  166.118  3707.08  234.289  1554.23  235.569  238.460   7.7368  151.464   12.247 86.99580 14.48609 
1 1 1  -19   17   22 o   30.241   10.447 -309.7978  136.298 -561.6033  224.371 -162.5364  171.585   28.348   14.230   32.133   15.298 -3.784616 20.89347 
1 1 1  -19   17   23 f   51.548   13.937  194.801  122.940  169.837  224.144  205.543  147.029   51.234   21.176   51.863   18.126 -0.6285362 27.87410 
1 1 1  -19   19    1 o  141.229   6.6033  1298.61  108.422  1322.59  130.216  1244.39  195.768  143.767   7.1322  138.691   11.115 5.076263 13.20667 
1 1 1  -19   19    2 o  152.648   5.9412  1489.33  104.359  1481.01  123.628  1509.98  194.655  152.250   6.3941  153.045   10.015 -0.7951202 11.88250 
1 1 1  -19   19    3 f   97.457   9.6509  658.568  105.693  715.032  129.496  545.893  182.929  105.366   9.6779   89.548   16.700 15.81730 19.30189 
1 1 1  -19   19    4 o  140.798   5.9017  1220.36  101.728  1091.36  125.495  1467.56  173.724  130.523   7.5711  151.071   9.0552 -20.54787 11.80334 
1 1 1  -19   19    5 o   59.476   12.513  210.400   98.212  146.640  119.128  345.687  173.528   48.385   16.336   70.567   18.959 -22.18264 25.02611 
1 1 1  -19   19    6 o  297.982   4.5898  5713.86  160.561  5775.84  193.817  5578.27  286.655  300.971   5.0710  294.993   7.6519 5.978058 9.179671 
1 1 1  -19   19    7 o  112.367   7.3834  796.133  102.021  739.727  127.279  897.498  170.624  107.141   9.3546  117.592   11.426 -10.45093 14.76671 
1 1 1  -19   19    8 o   75.134   11.428  357.612  103.685  258.145  128.844  540.397  174.661   61.233   16.286   89.035   16.037 -27.80295 22.85677 
1 1 1  -19   19    9 o  131.369   6.7759  1092.78  108.261  1041.16  133.595  1191.52  184.772  127.228   8.2685  135.511   10.737 -8.282303 13.55186 
1 1 1  -19   19   10 o  165.989   5.9917  1821.87  118.841  1928.79  147.824  1626.48  199.829  173.501   6.7091  158.476   9.9292 15.02429 11.98342 
1 1 1  -19   19   11 o   48.870   12.296   67.775  107.101 -69.8942  135.559  296.445  174.709   32.762   14.897   64.977   19.566 -32.21532 24.59149 
1 1 1  -19   19   12 o  105.939   8.1232  713.430  106.697  639.682  134.476  838.746  175.296   98.994   10.697  112.885   12.228 -13.89064 16.24650 
1 1 1  -19   19   13 o  113.245   7.1755  827.009  101.336  785.478  130.138  890.979  161.512  109.921   9.3228  116.570   10.910 -6.649292 14.35098 
1 1 1  -19   19   14 o  100.470   9.2856  674.781  118.338  631.966  165.102  720.016  169.703   97.094   13.390  103.847   12.868 -6.753227 18.57115 
1 1 1  -19   19   15 o  177.216   6.3163  2055.27  141.412  2099.32  191.833  2002.84  209.276  179.578   8.4119  174.855   9.4247 4.723465 12.63266 
1 1 1  -19   19   16 o  220.395   6.0760  3104.63  167.540  2773.00  215.512  3611.19  266.359  206.129   8.2329  234.661   8.9382 -28.53217 12.15206 
1 1 1  -19   19   17 o   47.603   12.846   85.939  131.275  272.236  168.866 -198.6148  208.699   59.923   19.423   35.284   16.819 24.63848 25.69287 
1 1 1  -19   19   18 o  176.090   6.3803  2056.38  142.268  2038.05  208.553  2072.34  194.568  175.056   9.3813  177.124   8.6500 -2.067993 12.76051 
1 1 1  -19   19   19 o   37.369   11.906 -22.4002  120.082 -77.7127  181.490   20.669  160.148   36.011   16.688   38.728   16.985 -2.717224 23.81128 
1 1 1  -19   19   20 o   38.274   12.078  -9.6317  123.949 -117.9245  182.952   82.247  168.517   34.106   16.107   42.442   18.003 -8.335312 24.15682 
1 1 1  -19   21    1 o  176.820   6.3755  2016.65  128.327  1987.90  150.776  2092.19  244.438  175.591   6.7616  178.048   10.811 -2.456955 12.75108 
1 1 1  -19   21    2 o  230.450   5.0787  3357.81  137.107  3246.65  163.570  3620.46  251.419  224.887   5.7274  236.013   8.3885 -11.12576 10.15730 
1 1 1  -19   21    3 o  123.585   7.1062  1021.82  105.189  1065.73  130.704  941.101  177.217  128.164   8.0306  119.007   11.726 9.156281 14.21238 
1 1 1  -19   21    4 o  119.272   8.1701  990.952  114.283  1094.32  142.303  803.168  191.798  129.623   8.6448  108.920   13.866 20.70256 16.34028 
1 1 1  -19   21    5 o   96.306   9.2083  624.424  107.437  625.016  133.723  623.346  180.444   97.212   10.832   95.400   14.894 1.812210 18.41659 
1 1 1  -19   21    6 o   90.991   11.030  577.428  116.403  572.867  142.233  586.678  202.561   92.517   12.106   89.466   18.442 3.050362 22.06025 
1 1 1  -19   21    7 o   43.380   12.496   69.265  114.235  146.126  139.375 -88.0525  199.398   47.972   17.543   38.789   17.800 9.182285 24.99205 
1 1 1  -19   21    8 o  220.621   6.3828  3322.81  164.717  3577.02  202.547  2826.37  283.048  235.143   6.7829  206.099   10.815 29.04366 12.76564 
1 1 1  -19   21    9 o  173.355   8.6192  1728.04  166.042  867.098  199.887  3644.58  298.233  112.171   14.032  234.539   10.013 -122.3681 17.23845 
1 1 1  -19   21   10 o  130.358   9.4538  1763.65  166.720  3311.42  218.928 -373.0985  257.232  225.339   7.6505   35.378   17.291 189.9610 18.90767 
1 1 1  -19   21   11 o   33.692   11.138 -217.7075  108.173 -342.7427  129.302   73.878  197.457   21.718   10.888   45.665   19.433 -23.94691 22.27556 
1 1 1  -19   21   12 o   51.719   12.825   99.010  140.136 -270.5285  208.837  401.699  189.007   32.798   15.929   70.641   20.106 -37.84257 25.65090 
1 1 1  -19   21   13 o  105.799   10.754  749.144  135.496  1125.46  231.737  553.664  167.021  125.352   14.558   86.247   15.833 39.10483 21.50805 
1 1 1  -19   21   14 o   66.306   14.039  366.569  127.408  381.422  183.708  352.804  176.852   67.481   20.006   65.130   19.702 2.351219 28.07825 
1 1 1  -19   21   15 o  110.983   9.8493  891.198  138.568  831.775  189.659  959.237  202.943  107.000   13.958  114.966   13.900 -7.965530 19.69863 
1 1 1  -19   23    1 o   50.922   18.383  205.141  152.327  205.141  152.327   0.0000   0.0000   50.922   18.383  ?   ?       ?      ? 
1 1 1  -19   23    2 o   83.865   10.296  490.039  101.161  427.417  121.856  628.894  181.454   77.692   12.351   90.037   16.477 -12.34444 20.59188 
1 1 1  -19   23    3 o   90.687   10.729  636.797  115.005  727.228  150.916  511.548  177.608  101.887   11.664   79.486   18.012 22.40099 21.45850 
1 1 1  -19   23    4 o   73.024   11.738  367.325   98.772  284.135  115.933  587.595  188.647   60.726   15.098   85.322   17.978 -24.59639 23.47637 
1 1 1  -19   23    5 o   76.864   10.974  443.636   99.594  427.530  121.862  476.032  172.831   77.523   12.378   76.204   18.124 1.318726 21.94747 
1 1 1  -19   23    6 o   97.480   11.760  810.976  127.984  1004.71  162.915  498.682  206.844  120.386   10.656   74.574   20.966 45.81254 23.51911 
1 1 1  -18    0    1 o  895.877   7.1048 51011.96  1142.80 51011.96  1142.80 51011.96  1142.80  895.877   10.048  895.877   10.048 -0.000000 0.000000 
1 1 1  -18    0    2 f  1157.27   9.0694 85154.51  1884.45 85154.51  1884.45 85154.51  1884.45  1157.27   12.826  1157.27   12.826 -0.000000 0.000000 
1 1 1  -18    0    3 o  1022.93   8.0581 66517.83  1479.95 66517.83  1479.95 66517.83  1479.95  1022.93   11.396  1022.93   11.396 -0.000000 0.000000 
1 1 1  -18    0    4 o  309.220   3.1234  6075.75  173.378  6075.75  173.378  6075.75  173.378  309.220   4.4172  309.220   4.4172 -0.000000 0.000000 
1 1 1  -18    0    5 o  496.108   4.2548 15638.09  378.971 15638.09  378.971 15638.09  378.971  496.108   6.0172  496.108   6.0172 -0.000000 0.000000 
1 1 1  -18    0    7 f  615.710   5.0982 24088.32  563.571 24088.32  563.571 24088.32  563.571  615.710   7.2099  615.710   7.2099 -0.000000 0.000000 
1 1 1  -18    0    8 o   89.991   8.5160  541.576  130.721  541.576  130.721  541.576  130.721   89.991   12.043   89.991   12.043 -0.000000 0.000000 
1 1 1  -18    0    9 o  284.490   3.2808  5143.74  167.523  5143.74  167.523  5143.74  167.523  284.490   4.6397  284.490   4.6397 -0.000000 0.000000 
1 1 1  -18    0   10 o  459.608   4.1723 13422.07  344.270 13422.07  344.270 13422.07  344.270  459.608   5.9006  459.608   5.9006 -0.000000 0.000000 
1 1 1  -18    0   11 o  638.480   5.3570 25903.30  614.076 25903.30  614.076 25903.30  614.076  638.480   7.5759  638.480   7.5759 -0.000000 0.000000 
1 1 1  -18    0   12 o   19.070   9.4848 -143.7499  126.470 -143.7499  126.470 -143.7499  126.470   19.070   13.414   19.070   13.414 -0.000000 0.000000 
1 1 1  -18    0   13 o   28.329   12.618   22.249  135.548   22.249  135.548   22.249  135.548   28.329   17.845   28.329   17.845 -0.000000 0.000000 
1 1 1  -18    0   14 o  179.508   5.6546  2058.80  181.472  2058.80  181.472  2058.80  181.472  179.508   7.9968  179.508   7.9968 -0.000000 0.000000 
1 1 1  -18    0   16 o   63.959   17.506  355.380  191.100  355.380  191.100  355.380  191.100   63.959   24.758   63.959   24.758 -0.000000 0.000000 
1 1 1  -18    0   17 o  176.595   6.6378  1997.84  209.162  1997.84  209.162  1997.84  209.162  176.595   9.3873  176.595   9.3873 -0.000000 0.000000 
1 1 1  -18    0   18 o   85.121   14.329  532.107  190.101  532.107  190.101  532.107  190.101   85.121   20.264   85.121   20.264 -0.000000 0.000000 
1 1 1  -18    0   19 o   58.546   10.411  255.240   94.677  255.240   94.677  255.240   94.677   58.546   14.723   58.546   14.723 -0.000000 0.000000 
1 1 1  -18    0   20 o  640.234   7.5555 26104.55  868.200 26104.55  868.200 26104.55  868.200  640.234   10.685  640.234   10.685 -0.000000 0.000000 
1 1 1  -18    0   21 o   63.210   11.299  298.612  110.924  298.612  110.924  298.612  110.924   63.210   15.980   63.210   15.980 -0.000000 0.000000 
1 1 1  -18    0   22 o  168.666   4.4119  1815.65  133.228  1815.65  133.228  1815.65  133.228  168.666   6.2394  168.666   6.2394 -0.000000 0.000000 
1 1 1  -18    0   23 o  140.765   5.0097  1269.64  125.916  1269.64  125.916  1269.64  125.916  140.765   7.0848  140.765   7.0848 -0.000000 0.000000 
1 1 1  -18    0   24 o  105.231   6.9176  723.511  128.138  723.511  128.138  723.511  128.138  105.231   9.7829  105.231   9.7829 -0.000000 0.000000 
1 1 1  -18    0   25 o  146.831   5.2458  1382.52  137.525  1382.52  137.525  1382.52  137.525  146.831   7.4186  146.831   7.4186 -0.000000 0.000000 
1 1 1  -18    0   26 o   31.475   13.052   75.616  124.139   75.616  124.139   75.616  124.139   31.475   18.458   31.475   18.458 -0.000000 0.000000 
1 1 1  -18    0   27 o   36.077   14.235  115.698  137.470  115.698  137.470  115.698  137.470   36.077   20.131   36.077   20.131 -0.000000 0.000000 
1 1 1  -18    0   28 o   31.784   13.737   59.126  149.086   59.126  149.086   59.126  149.086   31.784   19.427   31.784   19.427 -0.000000 0.000000 
1 1 1  -18    0   29 o   56.143   16.208  287.104  160.818  287.104  160.818  287.104  160.818   56.143   22.921   56.143   22.921 -0.000000 0.000000 
1 1 1  -18    0   30 o   68.256   15.539  385.594  168.170  385.594  168.170  385.594  168.170   68.256   21.976   68.256   21.976 -0.000000 0.000000 
1 1 1  -18    0   31 o   74.050   13.927  426.891  160.033  426.891  160.033  426.891  160.033   74.050   19.696   74.050   19.696 -0.000000 0.000000 
1 1 1  -18    0   32 o   26.377   12.299 -17.2911  149.629 -17.2911  149.629 -17.2911  149.629   26.377   17.393   26.377   17.393 -0.000000 0.000000 
1 1 1  -18    0   33 o   33.865   14.289   97.752  153.428   97.752  153.428   97.752  153.428   33.865   20.207   33.865   20.207 -0.000000 0.000000 
1 1 1  -18    0   34 o   31.136   13.858   60.032  163.161   60.032  163.161   60.032  163.161   31.136   19.598   31.136   19.598 -0.000000 0.000000 
1 1 1  -18    0   35 o   29.643   13.622   34.116  173.931   34.116  173.931   34.116  173.931   29.643   19.264   29.643   19.264 -0.000000 0.000000 
1 1 1  -18    2    1 o  437.524   3.8388 12127.49  212.951 12708.77  312.186 11621.66  291.223  447.302   5.4959  427.747   5.3612 19.55496 7.677681 
1 1 1  -18    2    2 o  899.544   7.1381 51359.10  814.420 49864.63  1118.82 53043.55  1187.80  885.662   9.9475  913.425   10.240 -27.76300 14.27611 
1 1 1  -18    2    3 o  155.424   4.1089  1534.16   81.100  1534.16   81.100   0.0000   0.0000  155.424   4.1089  ?   ?       ?      ? 
1 1 1  -18    2    4 o  628.769   5.1658 25111.79  412.392 24804.23  575.944 25435.37  590.759  624.822   7.2585  632.716   7.3523 -7.894287 10.33161 
1 1 1  -18    2    5 o  417.719   3.7838 11071.67  200.537 10834.77  276.621 11334.08  291.140  413.016   5.2740  422.421   5.4272 -9.405518 7.567689 
1 1 1  -18    2    6 f  417.031   4.6618 11106.94  234.046 10862.87  398.601 11235.36  289.137  413.482   7.5911  420.579   5.4135 -7.096954 9.323662 
1 1 1  -18    2    7 o  229.490   3.7538  3373.61  106.002  3226.56  170.748  3465.83  135.212  225.377   5.9658  233.603   4.5578 -8.226303 7.507640 
1 1 1  -18    2    8 f  387.645   4.6966  9547.09  212.583  9548.55  254.725  9543.73  385.873  387.731   5.1732  387.559   7.8402 0.1722412 9.393164 
1 1 1  -18    2    9 o  594.596   5.0095 22307.79  376.313 21043.69  502.314 23924.76  568.115  575.539   6.8726  613.654   7.2901 -38.11505 10.01893 
1 1 1  -18    2   10 o  432.020   5.8468 11855.33  320.775   0.0000   0.0000 11855.33  320.775  ?   ?   432.020   5.8468      ?      ? 
1 1 1  -18    2   11 o  434.578   5.8303 11995.88  321.763 11995.88  321.763   0.0000   0.0000  434.578   5.8303  ?   ?       ?      ? 
1 1 1  -18    2   12 o  285.605   3.9152  5180.32  141.947  5161.25  197.820  5200.56  203.802  285.065   5.4645  286.146   5.6085 -1.081268 7.830406 
1 1 1  -18    2   13 o  409.587   4.3513 10654.81  226.224 11106.47  321.960 10214.36  317.937  418.162   6.0629  401.013   6.2432 17.14951 8.702635 
1 1 1  -18    2   14 o  241.934   7.1402  3718.29  219.376  3718.29  219.376   0.0000   0.0000  241.934   7.1402  ?   ?       ?      ? 
1 1 1  -18    2   15 o  682.567   5.9749 29460.06  515.709 28153.08  692.325 31089.25  772.967  665.656   8.1900  699.478   8.7018 -33.82202 11.94976 
1 1 1  -18    2   16 o   87.441   9.2510  429.359   94.273  354.101  109.863  639.521  183.591   74.628   11.592  100.255   14.420 -25.62724 18.50198 
1 1 1  -18    2   17 o  253.594   5.1594  4063.99  165.588  3833.70  223.170  4346.07  246.990  245.646   7.1540  261.541   7.4364 -15.89459 10.31888 
1 1 1  -18    2   18 o  330.027   4.5074  6999.44  174.084  7128.92  209.955  6714.59  311.406  335.008   4.9351  325.045   7.5441 9.963470 9.014871 
1 1 1  -18    2   19 o  502.581   5.3334 15684.85  295.599 15316.69  339.923 16826.89  598.690  490.949   5.4521  514.212   9.1681 -23.26300 10.66680 
1 1 1  -18    2   20 o  273.801   4.5668  4771.30  145.163  4775.91  173.234  4760.43  265.997  274.117   4.9765  273.484   7.6589 0.6327209 9.133669 
1 1 1  -18    2   21 o  316.278   4.5462  6425.86  169.072  6530.72  204.593  6200.03  300.245  320.509   5.0266  312.046   7.5767 8.462952 9.092435 
1 1 1  -18    2   22 o  359.674   5.3429  8227.17  244.041   0.0000   0.0000  8227.17  244.041  ?   ?   359.674   5.3429      ?      ? 
1 1 1  -18    2   23 o  262.668   3.8216  4380.74  127.010  4482.66  188.765  4296.43  171.685  265.436   5.6000  259.899   5.2017 5.536560 7.643152 
1 1 1  -18    2   24 o  127.943   5.7299  1027.80   92.166  1257.19  139.761  851.276  122.602  140.394   7.8390  115.492   8.3593 24.90260 11.45983 
1 1 1  -18    2   25 f  151.890   5.1165  1465.08   98.467  1600.35  144.587  1348.08  134.471  158.404   7.1876  145.376   7.2838 13.02834 10.23306 
1 1 1  -18    2   26 o   88.432   8.4815  495.059   94.231  609.044  143.469  408.580  124.965   97.268   11.615   79.596   12.363 17.67209 16.96299 
1 1 1  -18    2   27 o   35.743   10.625 -62.4719   95.419  102.806  131.465 -246.4732  138.712   45.169   16.942   26.316   12.826 18.85288 21.24946 
1 1 1  -18    2   28 o   36.168   11.548 -80.5410  112.880 -39.2196  165.911 -116.1532  154.023   38.884   17.162   33.453   15.457 5.430252 23.09672 
1 1 1  -18    2   29 o   88.811   10.336  524.571  113.892  487.238  160.432  562.502  161.710   84.850   15.458   92.773   13.726 -7.923126 20.67268 
1 1 1  -18    2   30 o  119.617   8.1489  938.858  122.687  810.114  175.298  1062.47  171.766  111.279   12.405  127.954   10.571 -16.67526 16.29775 
1 1 1  -18    2   31 o   47.327   13.065   96.921  115.010  176.734  173.872   34.835  153.351   53.562   19.594   41.092   17.288 12.46952 26.13003 
1 1 1  -18    2   32 f   40.641   11.378   22.172   95.912  179.043  146.094 -96.6519  127.149   51.561   18.065   29.721   13.839 21.84065 22.75662 
1 1 1  -18    2   33 o   23.600   8.3577 -385.4852  105.305 -462.5998  147.376 -305.0452  150.521   21.753   10.996   25.447   12.589 -3.693281 16.71533 
1 1 1  -18    2   34 o   28.835   9.8917 -211.3504  113.214 -183.2033  159.587 -239.8682  160.634   29.641   14.280   28.029   13.692 1.612064 19.78349 
1 1 1  -18    4    1 o  393.473   4.4734  9914.63  210.393 10075.98  258.342  9596.85  362.553  398.296   5.1075  388.650   7.3457 9.645996 8.946885 
1 1 1  -18    4    2 f  489.523   4.2267 15222.13  262.749 15263.67  370.535 15180.11  372.640  490.195   5.9523  488.850   6.0025 1.345154 8.453410 
1 1 1  -18    4    3 o  520.171   6.2514 17188.20  412.957 17188.20  412.957   0.0000   0.0000  520.171   6.2514  ?   ?       ?      ? 
1 1 1  -18    4    4 o  707.389   5.7654 31781.72  517.675 31330.94  719.139 32266.55  745.794  702.191   8.0645  712.587   8.2414 -10.39587 11.53076 
1 1 1  -18    4    5 o  416.886   5.5048 11038.96  291.433   0.0000   0.0000 11038.96  291.433  ?   ?   416.886   5.5048      ?      ? 
1 1 1  -18    4    6 o  235.936   4.7578  3675.40  117.600  3790.49  134.051  3290.91  245.014  244.303   4.3208  227.568   8.4781 16.73492 9.515676 
1 1 1  -18    4    7 o  256.325   3.3138  4157.93  107.289  4036.96  143.547  4311.04  161.493  252.119   4.4834  260.532   4.8811 -8.412827 6.627686 
1 1 1  -18    4    8 o  326.619   3.6463  6782.86  150.597  6856.19  204.364  6695.73  222.778  328.558   4.8980  324.681   5.4030 3.876587 7.292657 
1 1 1  -18    4    9 o  391.389   4.0106  9713.39  198.846  9508.26  270.599  9954.19  293.179  386.909   5.5073  395.870   5.8318 -8.961334 8.021251 
1 1 1  -18    4   10 o  340.750   3.8051  7377.92  164.500  7455.13  228.376  7294.68  237.147  342.606   5.2490  338.895   5.5103 3.711456 7.610234 
1 1 1  -18    4   11 o  705.505   8.2629 31624.04  740.301 31624.04  740.301   0.0000   0.0000  705.505   8.2629  ?   ?       ?      ? 
1 1 1  -18    4   12 o  437.602   4.6350 12396.45  233.986 12739.00  279.915 11601.86  426.317  447.865   4.9215  427.338   7.8557 20.52695 9.270015 
1 1 1  -18    4   13 o  260.969   4.2961  4184.65  132.610  3957.77  158.671  4710.27  241.504  249.633   5.0051  272.304   6.9838 -22.67049 8.592162 
1 1 1  -18    4   14 o  533.171   5.8929 18190.86  389.495 18687.15  502.996 17447.60  615.552  542.360   7.3030  523.983   9.2506 18.37671 11.78587 
1 1 1  -18    4   15 o  403.400   4.6009 10169.04  212.559  9956.21  249.943 10725.21  404.038  395.932   4.9710  410.867   7.7436 -14.93536 9.201856 
1 1 1  -18    4   16 o  478.969   5.0667 14712.55  277.931 14898.17  329.526 14255.07  517.329  484.311   5.3578  473.626   8.6011 10.68518 10.13335 
1 1 1  -18    4   17 o  301.066   4.3416  5706.90  152.426  5630.18  181.857  5888.08  279.462  297.726   4.8099  304.406   7.2292 -6.680023 8.683142 
1 1 1  -18    4   18 o  360.414   4.4850  8031.20  185.046  7753.75  216.881  8773.71  354.795  349.351   4.8886  371.478   7.5208 -22.12704 8.970021 
1 1 1  -18    4   19 o  201.223   4.9245  2626.40  116.642  2717.51  141.988  2437.29  204.558  206.767   5.4074  195.680   8.2318 11.08730 9.848983 
1 1 1  -18    4   20 o  256.533   4.6400  4220.24  144.507  4303.84  180.645  4071.68  240.819  260.168   5.4676  252.899   7.4984 7.268524 9.280075 
1 1 1  -18    4   21 o  144.237   6.1132  1362.75  106.918  1467.59  135.795  1191.76  173.425  151.832   7.0428  136.642   9.9942 15.19032 12.22643 
1 1 1  -18    4   22 o  197.578   4.9680  2390.47  120.136  2155.00  148.240  2841.04  205.059  184.002   6.3440  211.155   7.6472 -27.15250 9.936082 
1 1 1  -18    4   23 o  139.973   6.6119  1266.93  111.724  1303.50  139.139  1200.55  187.448  142.990   7.6625  136.957   10.778 6.032837 13.22376 
1 1 1  -18    4   24 o  188.434   4.6602  2268.25  106.748  2242.09  178.489  2282.82  133.194  187.491   7.4964  189.378   5.5383 -1.887558 9.320371 
1 1 1  -18    4   25 o  140.179   5.4469  1260.81   94.719  1225.46  149.898  1284.31  122.209  138.447   8.5258  141.911   6.7812 -3.463852 10.89374 
1 1 1  -18    4   26 o   70.439   10.704  339.380   94.114  258.675  141.884  402.789  125.764   61.908   17.351   78.969   12.541 -17.06079 21.40820 
1 1 1  -18    4   28 o   73.884   11.147  335.879  103.545  558.551  169.579  203.504  130.750   92.442   14.445   55.325   16.982 37.11769 22.29490 
1 1 1  -18    4   29 f  112.288   8.1914  821.161  111.615  811.811  186.999  826.335  139.112  111.407   13.217  113.169   9.6797 -1.761444 16.38282 
1 1 1  -18    4   30 o   71.721   12.090  353.806  105.964  389.536  173.451  332.531  133.844   74.175   18.481   69.267   15.592 4.907608 24.17987 
1 1 1  -18    4   31 o   94.258   9.9974  632.564  109.175  502.808  175.466  714.529  139.457   84.169   17.001  104.348   10.524 -20.17864 19.99482 
1 1 1  -18    4   32 o  ?   ?  -957.4578  103.182 -813.6085  150.895 -1083.7880  141.408  ?   ?   ?   ?       ?      ? 
1 1 1  -18    4   33 o   32.009   10.558 -96.7788  105.381 -96.1905  147.916 -97.3852  150.174   31.898   14.877   32.120   14.984 -0.2227268 21.11513 
1 1 1  -18    4   34 o   40.756   11.480   52.459  103.234  199.775  140.723 -119.2028  151.907   50.715   17.732   30.797   14.584 19.91739 22.95941 
1 1 1  -18    6    1 o  882.975   7.0460 49510.77  789.581 50813.04  1141.62 48316.57  1093.22  894.086   10.055  871.863   9.8738 22.22327 14.09206 
1 1 1  -18    6    2 o  461.360   4.1344 13513.68  242.160 13963.49  346.507 13084.26  338.562  468.862   5.8196  453.859   5.8741 15.00275 8.268736 
1 1 1  -18    6    3 o  507.998   6.4347 16393.19  415.114   0.0000   0.0000 16393.19  415.114  ?   ?   507.998   6.4347      ?      ? 
1 1 1  -18    6    4 o  1060.29   8.3886 71481.17  1129.37 70980.41  1582.31 72001.19  1612.44  1056.52   11.793  1064.07   11.933 -7.551147 16.77712 
1 1 1  -18    6    5 o  267.294   3.4556  4549.39  116.993  4807.96  163.079  4275.19  167.935  275.142   4.6673  259.445   5.0971 15.69745 6.911104 
1 1 1  -18    6    6 o  586.064   5.0319 21822.64  374.369 21911.09  523.170 21729.83  535.937  587.285   7.0148  584.843   7.2160 2.442688 10.06372 
1 1 1  -18    6    7 o  443.777   4.5892 12323.73  223.606 12144.37  257.081 12881.09  453.173  437.289   4.6294  450.266   7.9253 -12.97751 9.178341 
1 1 1  -18    6    8 o  256.265   3.6373  4136.80  113.052  4058.49  139.784  4284.89  192.221  252.796   4.3542  259.733   5.8277 -6.937485 7.274671 
1 1 1  -18    6    9 o  250.331   3.6288  3938.39  106.671  3872.76  127.869  4088.58  193.447  246.948   4.0774  253.714   6.0040 -6.765839 7.257627 
1 1 1  -18    6   10 o  559.324   5.7680 20169.17  395.229 21079.67  503.523 18707.88  637.891  576.058   6.8830  542.591   9.2576 33.46722 11.53593 
1 1 1  -18    6   11 o  196.096   4.3554  2470.38  103.682  2541.71  129.916  2345.26  172.069  200.050   5.1138  192.143   7.0518 7.906677 8.710878 
1 1 1  -18    6   12 o  262.931   7.1986  4391.80  240.362   0.0000   0.0000  4391.80  240.362  ?   ?   262.931   7.1986      ?      ? 
1 1 1  -18    6   13 o  288.748   4.1531  5407.70  143.188  5645.82  177.011  4956.90  243.550  298.156   4.6750  279.340   6.8656 18.81647 8.306109 
1 1 1  -18    6   14 o  381.137   4.7911  9278.01  228.423  9536.45  300.622  8924.98  351.355  387.468   6.1095  374.806   7.3818 12.66113 9.582128 
1 1 1  -18    6   15 f  710.054   7.2162 31844.11  616.172 31413.36  755.614 32699.06  1064.54  703.070   8.4630  717.037   11.691 -13.96667 14.43247 
1 1 1  -18    6   16 o  183.549   4.5485  2098.96  103.499  1961.61  130.951  2327.56  168.939  175.715   5.8684  191.383   6.9510 -15.66798 9.096993 
1 1 1  -18    6   17 o  357.288   4.3809  8127.50  183.552  8149.57  220.834  8078.18  330.126  358.144   4.8555  356.432   7.2933 1.712250 8.761738 
1 1 1  -18    6   18 o  201.939   4.5041  2553.20  111.498  2446.66  139.115  2744.57  186.446  196.177   5.5840  207.702   7.0686 -11.52451 9.008162 
1 1 1  -18    6   19 o  174.376   5.0132  1959.62  107.726  2044.60  138.393  1828.97  171.602  179.288   6.0784  169.465   7.9738 9.823639 10.02638 
1 1 1  -18    6   20 o  214.890   4.4893  2950.62  118.059  2985.09  148.786  2892.04  193.986  216.654   5.4078  213.126   7.1673 3.528458 8.978559 
1 1 1  -18    6   21 o  164.526   5.2881  1724.89  108.575  1726.24  141.085  1722.92  170.031  164.657   6.7472  164.395   8.1445 0.2616730 10.57626 
1 1 1  -18    6   22 o  195.200   4.9083  2446.94  119.444  2539.34  156.477  2317.93  184.897  199.719   6.1696  190.681   7.6356 9.037781 9.816610 
1 1 1  -18    6   23 o  217.033   5.0275  2999.75  137.088  2981.75  180.887  3024.03  210.123  216.331   6.5843  217.736   7.5992 -1.404724 10.05490 
1 1 1  -18    6   24 o   31.891   10.439 -158.7421  103.652 -273.4733  142.691 -30.5686  150.818   26.137   12.796   37.645   16.498 -11.50848 20.87850 
1 1 1  -18    6   25 o  101.177   8.5044  652.195  108.604  573.577  144.983  752.714  163.937   94.303   12.106  108.052   11.947 -13.74892 17.00883 
1 1 1  -18    6   26 f  341.111   4.2232  7439.03  182.149  7189.52  267.765  7653.94  248.507  335.696   6.2810  346.526   5.6471 -10.82996 8.446358 
1 1 1  -18    6   27 o  191.265   5.1741  2429.16  120.736  1906.27  185.075  2816.54  159.301  172.429   8.4520  210.102   5.9705 -37.67282 10.34811 
1 1 1  -18    6   28 o   85.996   11.004  562.781  101.148  360.100  187.507  645.965  120.125   71.854   19.878  100.138   9.4461 -28.28413 22.00838 
1 1 1  -18    6   29 o  134.816   7.1820  1178.76  114.230  1177.93  202.958  1179.15  138.198  134.257   11.904  135.375   8.0387 -1.117737 14.36397 
1 1 1  -18    6   30 o   55.721   11.959  216.661  105.893   24.980  171.012  335.860  134.857   42.258   18.037   69.184   15.708 -26.92553 23.91785 
1 1 1  -18    6   31 o   49.933   12.068  160.454  101.757   27.397  156.616  257.656  133.861   40.268   17.226   59.599   16.906 -19.33083 24.13559 
1 1 1  -18    6   32 o   23.781   8.5014 -451.1078  110.008 -341.0212  174.736 -523.3913  141.591   27.512   13.602   20.049   10.201 7.462301 17.00275 
1 1 1  -18    6   33 o   39.258   12.669  -9.6409  123.203 -54.1571  255.566   3.8368  140.622   42.803   19.823   35.714   15.780 7.088593 25.33723 
1 1 1  -18    8    1 o  971.592   8.9295 59511.64  943.604 59039.85  1081.71 61013.50  1929.97  963.946   8.8365  979.238   15.520 -15.29236 17.85908 
1 1 1  -18    8    2 o  616.874   5.9719 23551.07  394.122 23037.24  447.005 25345.37  835.317  602.250   5.8446  631.497   10.416 -29.24689 11.94377 
1 1 1  -18    8    3 o  740.020   6.9120 35076.75  570.331 35382.70  664.811 34223.95  1109.93  746.328   7.0144  733.713   11.912 12.61511 13.82398 
1 1 1  -18    8    4 o  739.232   6.9307 34820.41  567.662 34918.41  658.474 34536.81  1120.18  741.414   6.9936  737.049   11.968 4.365112 13.86137 
1 1 1  -18    8    5 o  407.740   4.7504 10727.71  242.040 11972.79  327.888  9236.90  358.789  434.166   5.9469  381.314   7.4093 52.85135 9.500737 
1 1 1  -18    8    6 o  671.271   11.019 28643.49  939.345   0.0000   0.0000 28643.49  939.345  ?   ?   671.271   11.019      ?      ? 
1 1 1  -18    8    7 o  201.271   4.1657  2617.35   99.680  2704.94  122.348  2444.43  171.907  206.377   4.6683  196.165   6.9007 10.21237 8.331444 
1 1 1  -18    8    8 o  633.875   6.1335 25461.53  432.495 25388.47  502.030 25671.84  851.752  632.219   6.2529  635.531   10.554 -3.311340 12.26690 
1 1 1  -18    8    9 o  516.745   5.2842 17141.20  311.487 17373.36  368.450 16559.63  583.158  523.003   5.5475  510.487   8.9955 12.51669 10.56850 
1 1 1  -18    8   10 o  671.681   6.4505 28585.59  483.402 28494.42  561.976 28844.96  947.875  669.754   6.6073  673.607   11.081 -3.852783 12.90109 
1 1 1  -18    8   11 o  298.665   4.5144  5665.08  171.223  5665.08  171.223   0.0000   0.0000  298.665   4.5144  ?   ?       ?      ? 
1 1 1  -18    8   12 f  687.482   6.5424 30194.31  506.039 30377.17  592.448 29700.99  973.097  691.500   6.7465  683.464   11.211 8.036743 13.08483 
1 1 1  -18    8   13 o  247.183   4.0188  3849.97  119.682  3784.45  146.932  3979.15  206.308  244.099   4.7399  250.268   6.4913 -6.169022 8.037701 
1 1 1  -18    8   14 o  390.608   4.3905  9751.66  200.178  9841.34  240.354  9548.62  361.659  393.609   4.8085  387.607   7.3473 6.002686 8.780937 
1 1 1  -18    8   15 o  122.032   5.6311  931.629   86.349  845.579  112.596  1054.50  134.547  115.309   7.6892  128.754   8.2288 -13.44484 11.26220 
1 1 1  -18    8   16 o  275.629   4.0568  4765.97  134.682  4634.46  164.918  5029.31  233.372  270.046   4.8090  281.212   6.5349 -11.16580 8.113622 
1 1 1  -18    8   17 o  366.768   4.3473  8516.79  187.629  8452.10  225.812  8661.04  337.213  364.646   4.8764  368.889   7.1983 -4.242889 8.694534 
1 1 1  -18    8   18 o   81.910   8.3247  424.949   86.162  387.143  115.134  473.075  129.902   77.815   11.651   86.006   11.893 -8.191208 16.64931 
1 1 1  -18    8   19 o  261.702   4.1594  4375.39  133.991  4432.67  170.360  4282.48  216.964  264.022   5.0810  259.381   6.5868 4.640991 8.318779 
1 1 1  -18    8   20 o  259.071   4.2427  4313.73  135.620  4461.44  174.106  4085.80  216.272  264.843   5.1766  253.299   6.7234 11.54468 8.485379 
1 1 1  -18    8   21 o   43.441   11.566   83.345   90.238  140.129  122.286   15.457  133.709   48.414   16.550   38.468   16.161 9.946289 23.13164 
1 1 1  -18    8   22 o   52.686   12.097  174.397   95.801  229.928  127.943  103.532  144.533   58.685   16.486   46.686   17.708 11.99953 24.19428 
1 1 1  -18    8   23 o   85.975   9.4771  473.462  103.015  431.938  138.132  525.499  154.631   81.775   13.301   90.174   13.503 -8.399437 18.95417 
1 1 1  -18    8   24 o   42.587   12.208   55.961  101.015   65.421  128.578   40.708  163.272   41.566   16.440   43.609   18.053 -2.042435 24.41671 
1 1 1  -18    8   25 f  418.177   5.4905 11370.08  284.135 14300.46  402.212  8450.88  401.444  473.249   6.6925  363.104   8.7059 110.1448 10.98102 
1 1 1  -18    8   26 o   33.687   11.085 -135.2745  114.423 -117.0335  152.160 -159.0135  173.584   33.125   15.325   34.248   16.021 -1.122887 22.17045 
1 1 1  -18    8   27 o   45.240   13.279   49.061  125.386   67.095  169.488   27.259  186.355   45.666   18.592   44.814   18.966 0.8519249 26.55874 
1 1 1  -18    8   28 o   33.283   15.888 -226.3560  187.624 -226.3560  187.624   0.0000   0.0000   33.283   15.888  ?   ?       ?      ? 
1 1 1  -18    8   29 o  133.514   6.9662  1174.98  108.935  1128.18  193.870  1196.57  131.690  130.845   11.667  136.184   7.6146 -5.339142 13.93239 
1 1 1  -18    8   30 o   92.496   10.067  607.062  106.168  541.711  182.572  640.452  130.502   86.550   17.217   98.442   10.439 -11.89185 20.13409 
1 1 1  -18    8   31 o   30.788   15.647 -761.8611  131.180 -1052.6510  325.772 -705.5856  143.312   30.788   15.647  ?   ?       ?      ? 
1 1 1  -18    8   32 o   55.924   16.899  242.181  130.163   0.0000   0.0000  242.181  130.163  ?   ?    55.924   16.899      ?      ? 
1 1 1  -18   10    1 o  548.778   6.6403 19138.11  462.760 19226.07  656.546 19051.28  652.357  550.030   9.3994  547.525   9.3822 2.505188 13.28060 
1 1 1  -18   10    2 o  183.054   4.6044  2065.54  105.164  1805.24  134.279  2478.47  169.128  168.582   6.2722  197.525   6.7424 -28.94330 9.208701 
1 1 1  -18   10    3 o  408.013   4.5107 10369.03  205.352 10152.50  237.731 11005.49  407.575  399.822   4.6821  416.204   7.7112 -16.38196 9.021377 
1 1 1  -18   10    4 o  309.178   3.9903  5942.56  140.645  5786.21  164.693  6363.77  270.316  301.845   4.2965  316.510   6.7252 -14.66495 7.980509 
1 1 1  -18   10    5 o  454.077   4.7465 13403.02  249.788 13877.87  300.458 12340.38  449.469  467.447   5.0614  440.708   8.0310 26.73886 9.492932 
1 1 1  -18   10    6 o  340.868   4.1237  7234.77  160.991  7051.76  189.127  7716.26  306.773  333.220   4.4694  348.516   6.9313 -15.29633 8.247334 
1 1 1  -18   10    7 o  429.335   4.6018 11767.47  226.857 11846.32  269.016 11573.37  422.085  431.879   4.9050  426.792   7.7877 5.087463 9.203614 
1 1 1  -18   10    8 o  363.434   4.2668  7995.68  173.709  7588.84  200.259  9232.12  349.114  345.671   4.5620  381.197   7.2117 -35.52625 8.533510 
1 1 1  -18   10    9 o  307.807   4.0196  6059.92  145.770  6131.28  176.457  5906.55  258.672  310.704   4.4721  304.910   6.6804 5.794434 8.039107 
1 1 1  -18   10   10 o  418.511   4.5473 11218.09  219.762 11346.82  261.945 10912.10  403.837  422.654   4.8803  414.368   7.6744 8.285736 9.094683 
1 1 1  -18   10   11 o  294.842   3.9818  5510.39  139.288  5487.20  168.952  5559.58  246.100  293.909   4.5266  295.775   6.5520 -1.865906 7.963595 
1 1 1  -18   10   12 o  432.271   4.8722 11805.11  251.868 11660.10  307.214 12102.42  439.879  428.339   5.6477  436.202   7.9409 -7.862976 9.744443 
1 1 1  -18   10   13 o  296.656   4.0322  5619.82  142.179  5667.22  173.306  5522.24  248.649  298.640   4.5697  294.672   6.6446 3.968109 8.064330 
1 1 1  -18   10   14 o  248.795   4.0143  3965.15  119.433  4024.57  146.676  3848.24  205.741  251.643   4.5898  245.947   6.5872 5.695358 8.028569 
1 1 1  -18   10   15 o  308.631   4.1286  5993.15  151.387  5877.79  183.210  6241.45  268.783  304.086   4.7443  313.176   6.7583 -9.090332 8.257287 
1 1 1  -18   10   16 o  166.843   4.6403  1799.72   95.772  1914.69  124.624  1633.89  149.676  173.503   5.6561  160.182   7.3580 13.32060 9.280695 
1 1 1  -18   10   17 o  305.111   4.0865  5961.04  149.152  6039.25  183.152  5807.05  256.998  308.204   4.6795  302.018   6.7007 6.186340 8.172909 
1 1 1  -18   10   18 o  254.143   4.1308  4083.32  129.124  4004.61  162.676  4217.37  212.291  250.921   5.1052  257.365   6.4954 -6.444199 8.261517 
1 1 1  -18   10   19 o  287.738   4.2020  5346.40  148.277  5587.59  189.210  4962.54  238.700  296.374   5.0272  279.102   6.7346 17.27173 8.404028 
1 1 1  -18   10   20 o  105.003   7.3778  716.917   96.831  794.281  130.903  623.437  143.895  111.452   9.2488   98.553   11.497 12.89900 14.75562 
1 1 1  -18   10   21 o  128.391   6.1716  1043.52  100.094  946.324  133.566  1168.02  151.173  121.650   8.6458  135.132   8.8092 -13.48237 12.34312 
1 1 1  -18   10   22 o   69.369   11.229  319.417   96.651  261.864  128.389  394.688  146.829   62.206   16.121   76.532   15.636 -14.32615 22.45784 
1 1 1  -18   10   23 o  115.296   9.7790  718.246  116.754   93.557  139.107  2207.14  214.757   45.057   17.304  185.536   9.1147 -140.4787 19.55801 
1 1 1  -18   10   24 o   34.961   11.282 -98.5422  110.129 -131.2344  145.731 -55.0144  168.156   31.601   14.748   38.320   17.076 -6.718340 22.56301 
1 1 1  -18   10   25 o  140.869   7.0139  1300.07  123.313  1477.97  168.203  1093.36  181.315  151.695   8.7314  130.043   10.979 21.65193 14.02783 
1 1 1  -18   10   26 o   56.404   13.599  204.874  116.940  220.125  163.111  188.746  167.743   57.752   19.108   55.057   19.354 2.695347 27.19734 
1 1 1  -18   10   27 o   66.461   12.897  308.008  114.081  229.846  156.655  396.262  166.460   58.018   18.697   74.904   17.768 -16.88626 25.79337 
1 1 1  -18   10   28 o   60.734   13.251  255.755  122.653  106.881  177.729  391.132  169.481   48.007   19.217   73.461   18.249 -25.45309 26.50154 
1 1 1  -18   10   29 o  ?   ?  -1181.0400  135.180   0.0000   0.0000 -1181.0400  135.180  ?   ?   ?   ?       ?      ? 
1 1 1  -18   10   30 o   30.100   14.008 -86.6793  129.999   0.0000   0.0000 -86.6793  129.999  ?   ?    30.100   14.008      ?      ? 
1 1 1  -18   12    1 o  469.741   4.8686 14146.04  256.996 14287.69  300.979 13764.85  493.754  474.232   4.9977  465.251   8.3569 8.981384 9.737298 
1 1 1  -18   12    2 o  150.298   4.5224  1442.13   79.908  1453.04   96.452  1418.23  142.685  151.234   5.0221  149.362   7.5225 1.872253 9.044850 
1 1 1  -18   12    3 o  495.464   5.1084 15309.37  278.866 15020.52  320.864 16201.19  563.795  486.228   5.1964  504.699   8.7965 -18.47058 10.21673 
1 1 1  -18   12    4 o  314.862   4.0042  6329.27  146.805  6374.58  175.849  6225.05  266.678  316.778   4.3713  312.946   6.7103 3.832062 8.008477 
1 1 1  -18   12    5 o   92.543   6.8440  582.574   71.953  641.663   87.174  456.262  127.454  100.467   6.8326   84.619   11.861 15.84866 13.68797 
1 1 1  -18   12    6 o  358.910   4.3865  7955.75  185.145  7598.76  220.852  8799.86  339.604  345.815   5.0290  372.005   7.1886 -26.19077 8.773083 
1 1 1  -18   12    7 o  138.717   4.8851  1231.91   82.468  1253.27  103.326  1194.42  136.878  140.416   5.7945  137.017   7.8665 3.398743 9.770273 
1 1 1  -18   12    8 o  277.202   3.9335  4799.78  128.350  4664.96  153.771  5109.45  233.051  270.951   4.4690  283.452   6.4743 -12.50079 7.866908 
1 1 1  -18   12    9 o  114.842   5.5702  828.693   80.029  780.419  103.361  900.950  126.457  110.739   7.3498  118.944   8.3718 -8.204826 11.14037 
1 1 1  -18   12   10 o  265.792   3.9580  4512.48  127.157  4559.55  157.745  4425.13  214.869  267.840   4.6377  263.744   6.4152 4.095306 7.916035 
1 1 1  -18   12   11 o  390.254   4.5698  9711.60  215.425  9760.94  266.695  9618.95  365.427  391.806   5.3600  388.701   7.4030 3.104614 9.139695 
1 1 1  -18   12   12 o  191.947   4.2150  2368.82   97.615  2427.22  121.321  2261.60  164.388  195.395   4.8893  188.498   6.8673 6.896774 8.429980 
1 1 1  -18   12   13 f  121.616   5.2943  915.358   79.953  823.942  101.085  1068.11  130.667  113.759   6.9972  129.472   7.9471 -15.71284 10.58855 
1 1 1  -18   12   14 o  116.938   5.5639  837.649   80.979  695.049  103.044  1067.95  130.951  104.435   7.7696  129.442   7.9663 -25.00643 11.12783 
1 1 1  -18   12   15 o   56.260   10.901  210.856   79.316  215.879  102.555  203.381  125.121   56.834   14.239   55.686   16.511 1.148388 21.80238 
1 1 1  -18   12   16 o  204.941   4.2899  2659.63  108.603  2613.77  137.822  2734.75  176.396  202.682   5.3546  207.200   6.7038 -4.517578 8.579791 
1 1 1  -18   12   17 o  128.928   5.7397  1064.16   93.063  1085.31  124.008  1036.88  140.811  130.450   7.4856  127.407   8.7029 3.042778 11.47936 
1 1 1  -18   12   18 o  107.670   6.6659  735.581   90.382  696.118  119.083  789.202  138.811  104.331   8.9879  111.009   9.8466 -6.677605 13.33184 
1 1 1  -18   12   19 o   58.715   11.618  229.792   91.169  180.786  127.590  280.917  130.318   52.980   16.853   64.450   15.997 -11.46990 23.23655 
1 1 1  -18   12   20 o   56.539   10.140  125.649   92.715 -75.4439  117.268  460.934  151.422   30.069   13.743   83.009   14.912 -52.93963 20.27959 
1 1 1  -18   12   21 o  400.433   5.7203  8670.53  262.176  6842.96  301.237 14378.66  532.376  327.243   7.2487  473.624   8.8513 -146.3811 11.44068 
1 1 1  -18   12   22 o   30.773   10.397 -206.2769  113.240 -206.8356  151.889 -205.5779  169.914   29.507   14.142   32.038   15.245 -2.530556 20.79398 
1 1 1  -18   12   23 o  155.545   6.1447  1524.88  120.049  1365.03  156.287  1754.92  187.491  145.838   8.4387  165.253   8.9342 -19.41458 12.28946 
1 1 1  -18   12   24 o  112.181   8.4690  818.347  120.525  782.271  165.947  858.621  175.336  109.582   11.925  114.780   12.029 -5.197739 16.93800 
1 1 1  -18   12   25 o   41.677   12.544   21.086  116.094   23.199  171.154   19.285  157.999   42.519   18.093   40.834   17.380 1.684986 25.08889 
1 1 1  -18   12   26 o   50.659   14.328  120.839  142.225 -134.3866  291.238  200.767  162.981   46.398   21.372   54.921   19.090 -8.523075 28.65666 
1 1 1  -18   12   27 o   38.586   12.911 -167.1818  156.737 -268.5559  285.803 -123.5798  187.437   41.051   19.599   36.122   16.814 4.929752 25.82288 
1 1 1  -18   12   28 f   32.246   11.398 -598.1188  189.719 -518.7893  281.958 -663.7479  256.457   34.543   17.115   29.949   15.058 4.594152 22.79599 
1 1 1  -18   12   29 o   69.750   24.542  444.360  269.775  444.360  269.775   0.0000   0.0000   69.750   24.542  ?   ?       ?      ? 
1 1 1  -18   14    1 o  328.493   4.1486  6869.79  155.243  6877.22  182.902  6850.62  293.608  328.941   4.3785  328.046   7.0478 0.8949890 8.297166 
1 1 1  -18   14    2 o  227.068   3.9362  3276.80  105.122  3273.01  126.658  3285.19  188.452  226.926   4.3951  227.211   6.5312 -0.2850189 7.872341 
1 1 1  -18   14    3 o  413.286   4.5469 10824.24  213.883 10768.80  251.468 10969.26  406.687  411.575   4.8112  414.997   7.7168 -3.422180 9.093785 
1 1 1  -18   14    4 o  119.376   6.2594  904.733   94.154  757.503  128.869  1073.31  137.896  108.977   9.3119  129.776   8.3672 -20.79910 12.51882 
1 1 1  -18   14    5 o  133.784   5.0013  1126.85   80.577  1100.65   98.748  1179.06  139.389  131.536   5.9116  136.032   8.0688 -4.495819 10.00267 
1 1 1  -18   14    6 o  294.216   4.0274  5531.23  139.240  5572.97  168.017  5439.71  248.796  296.096   4.4683  292.335   6.7017 3.760773 8.054711 
1 1 1  -18   14    7 o  282.663   3.9036  5069.95  130.949  5048.37  158.886  5115.66  231.219  281.812   4.4396  283.513   6.4221 -1.700104 7.807250 
1 1 1  -18   14    8 o  263.767   3.9263  4353.96  122.801  4231.21  148.059  4624.56  219.820  257.987   4.5192  269.547   6.4218 -11.56064 7.852517 
1 1 1  -18   14    9 o  434.486   5.2100 11933.02  281.424 11584.48  360.345 12478.03  450.604  426.551   6.6523  442.422   8.0201 -15.87103 10.41994 
1 1 1  -18   14   10 o  281.188   4.0303  5033.05  135.660  5037.10  166.168  5024.97  234.914  281.457   4.6490  280.919   6.5849 0.5372620 8.060640 
1 1 1  -18   14   11 o  230.063   4.0993  3365.58  113.928  3358.98  140.802  3378.10  193.879  229.818   4.8245  230.308   6.6290 -0.4900665 8.198692 
1 1 1  -18   14   12 o  180.471   4.4745  2111.39   98.376  2218.20  124.621  1934.77  160.254  186.719   5.2556  174.224   7.2431 12.49464 8.948960 
1 1 1  -18   14   13 o  159.476   4.7439  1600.79   93.754  1534.48  119.035  1709.14  152.156  155.233   6.0383  163.719   7.3183 -8.486252 9.487819 
1 1 1  -18   14   14 o  171.678   4.6961  1892.34   99.771  1943.40  128.460  1814.71  158.389  174.696   5.7904  168.660   7.3950 6.035873 9.392238 
1 1 1  -18   14   15 o  289.701   4.6157  5353.87  169.486  5408.25  233.272  5293.07  246.667  291.299   6.3059  288.103   6.7419 3.195923 9.231358 
1 1 1  -18   14   16 o   46.916   10.870  126.195   83.937  220.096  111.729   4.5339  127.176   57.183   15.145   36.650   15.596 20.53277 21.73997 
1 1 1  -18   14   17 o   87.266   9.3963  451.007   96.259  301.547  118.063  747.349  166.245   66.931   14.323  107.602   12.166 -40.67104 18.79262 
1 1 1  -18   14   18 f  426.347   8.5915 11644.60  465.168   0.0000   0.0000 11644.60  465.168  ?   ?   426.347   8.5915      ?      ? 
1 1 1  -18   14   19 o  141.539   6.4137  1257.97  113.808  1023.07  149.820  1578.44  174.994  126.208   9.3477  156.870   8.7843 -30.66162 12.82743 
1 1 1  -18   14   20 o  170.323   5.4463  1835.15  116.587  1710.12  152.365  2011.77  181.089  163.476   7.3393  177.170   8.0487 -13.69359 10.89251 
1 1 1  -18   14   21 o  135.121   6.8510  1197.03  115.439  1395.81  159.261  976.984  167.566  147.377   8.5094  122.866   10.739 24.51164 13.70198 
1 1 1  -18   14   22 o   37.100   11.452 -33.2031  104.214 -101.3544  144.028   41.684  150.978   32.474   14.984   41.725   17.324 -9.251286 22.90471 
1 1 1  -18   14   23 o   47.279   13.552   93.919  118.824   13.009  234.822  121.767  137.763   47.954   20.807   46.603   17.370 1.351574 27.10419 
1 1 1  -18   14   24 o   55.772   15.181  163.180  131.983  258.572  276.309  134.982  150.230   63.347   24.374   48.198   18.105 15.14841 30.36197 
1 1 1  -18   14   25 o   72.474   13.421  390.881  124.818  348.786  168.745  441.737  185.476   68.245   18.848   76.703   19.111 -8.458229 26.84215 
1 1 1  -18   14   26 o   33.734   16.273 -586.5354  136.003 -836.5118  179.200 -246.9498  208.864  ?   ?    33.734   16.273      ?      ? 
1 1 1  -18   14   27 o   44.333   19.088   70.309  194.605   70.309  194.605   0.0000   0.0000   44.333   19.088  ?   ?       ?      ? 
1 1 1  -18   16    1 o  175.928   4.5019  1889.26   93.702  1758.75  111.849  2196.45  171.602  166.248   5.2978  185.607   7.2803 -19.35951 9.003873 
1 1 1  -18   16    2 o  250.273   4.0723  3979.29  120.938  3964.69  146.750  4010.22  213.507  249.672   4.6284  250.874   6.7016 -1.201965 8.144530 
1 1 1  -18   16    3 o  335.977   4.2230  7241.34  166.114  7328.99  200.101  7047.02  297.939  339.456   4.6418  332.498   7.0560 6.958710 8.445957 
1 1 1  -18   16    4 o  160.733   4.7241  1596.45   92.340  1484.65  113.418  1816.24  159.028  152.705   5.8486  168.761   7.4203 -16.05635 9.448147 
1 1 1  -18   16    5 o  335.236   4.2659  7098.46  166.899  7010.53  199.322  7304.74  305.290  331.980   4.7279  338.492   7.1021 -6.512787 8.531847 
1 1 1  -18   16    6 o  199.301   4.3029  2479.60  103.510  2375.22  126.662  2689.49  179.602  193.197   5.1626  205.405   6.8853 -12.20853 8.605779 
1 1 1  -18   16    7 o  309.938   4.1678  6101.19  152.058  6073.84  183.202  6161.77  272.623  308.996   4.6687  310.881   6.9054 -1.884735 8.335599 
1 1 1  -18   16    8 o   81.448   8.0005  428.917   80.409  438.864  102.966  413.371  128.731   82.782   9.7944   80.114   12.653 2.667915 16.00098 
1 1 1  -18   16    9 o  246.051   4.0675  3864.70  121.508  3885.70  151.339  3826.61  203.826  247.107   4.8227  244.995   6.5513 2.112381 8.134927 
1 1 1  -18   16   10 o  135.958   5.6828  1190.53   95.124  1221.15  121.430  1141.91  153.038  138.351   6.9114  133.565   9.0226 4.786041 11.36551 
1 1 1  -18   16   11 o  185.803   4.6384  2165.37  105.386  2072.62  131.018  2335.39  177.376  180.360   5.7202  191.246   7.3034 -10.88585 9.276842 
1 1 1  -18   16   12 f  113.219   7.3473  825.781   99.936  830.408  123.080  816.828  171.208  113.905   8.5088  112.532   11.980 1.372818 14.69451 
1 1 1  -18   16   13 o  108.570   9.2067  726.156  113.305  684.371  131.468  846.816  223.404  103.218   10.030  113.921   15.442 -10.70303 18.41344 
1 1 1  -18   16   14 o  334.014   8.4883  7147.37  360.048   0.0000   0.0000  7147.37  360.048  ?   ?   334.014   8.4883      ?      ? 
1 1 1  -18   16   15 o  127.631   7.3214  905.954  110.095  666.516  129.851  1518.19  207.637  101.779   10.046  153.483   10.653 -51.70415 14.64285 
1 1 1  -18   16   16 o   93.568   8.8629  544.041  103.033  445.124  130.707  706.381  167.447   82.831   12.426  104.306   12.641 -21.47517 17.72587 
1 1 1  -18   16   17 o  187.547   5.1174  2216.96  120.605  2025.44  157.321  2489.95  187.827  177.931   6.9624  197.162   7.5016 -19.23166 10.23473 
1 1 1  -18   16   18 o   77.437   11.036  479.064  117.060   54.049  184.250  766.738  151.584   46.154   19.148  108.721   10.979 -62.56752 22.07199 
1 1 1  -18   16   19 o   49.510   11.494  136.463   99.110  273.018  131.306 -44.3527  151.094   62.711   16.328   36.309   16.183 26.40130 22.98853 
1 1 1  -18   16   20 o   56.334   12.402  123.280  112.609  438.233  191.335 -43.6283  139.287   78.067   19.388   34.601   15.471 43.46581 24.80380 
1 1 1  -18   16   21 o   93.571   11.166  580.818  127.000  711.527  211.228  506.816  158.936  101.796   16.340   85.345   15.223 16.45110 22.33189 
1 1 1  -18   16   22 o   47.126   12.348   89.264  114.681 -97.6665  166.462  258.140  158.219   34.782   16.070   59.469   18.751 -24.68628 24.69537 
1 1 1  -18   16   23 o  134.962   11.698  1808.33  158.169  3038.72  209.132  163.921  241.771  215.928   7.6266   53.996   22.119 161.9324 23.39696 
1 1 1  -18   16   24 o   76.655   14.368  479.651  140.954  447.956  226.738  499.616  179.951   72.744   22.369   80.565   18.038 -7.821236 28.73572 
1 1 1  -18   18    1 f  214.213   5.1822  2849.13  135.008  2661.13  165.967  3216.88  232.124  204.224   6.3994  224.201   8.1527 -19.97716 10.36432 
1 1 1  -18   18    2 o   83.331   9.8643  354.422  104.135   42.963  125.390  1046.73  186.944   39.272   15.990  127.390   11.556 -88.11810 19.72859 
1 1 1  -18   18    3 o  171.773   5.8358  1678.49  118.712  1342.02  140.232  2529.41  223.007  144.880   7.6219  198.666   8.8393 -53.78612 11.67160 
1 1 1  -18   18    4 o  303.384   5.1193  5821.00  193.759  5575.67  249.284  6195.39  307.958  295.543   6.6419  311.225   7.7918 -15.68161 10.23856 
1 1 1  -18   18    5 o  390.176   8.1505  9745.69  403.852   0.0000   0.0000  9745.69  403.852  ?   ?   390.176   8.1505      ?      ? 
1 1 1  -18   18    6 o  190.436   9.5032  2329.16  229.825   0.0000   0.0000  2329.16  229.825  ?   ?   190.436   9.5032      ?      ? 
1 1 1  -18   18    7 o  246.761   7.9850  3898.30  250.223   0.0000   0.0000  3898.30  250.223  ?   ?   246.761   7.9850      ?      ? 
1 1 1  -18   18    8 o  200.170   5.1866  2481.89  125.590  2314.12  153.361  2823.50  218.835  190.400   6.3426  209.940   8.2081 -19.53967 10.37316 
1 1 1  -18   18    9 f  253.888   5.5079  4109.83  177.585  4109.83  177.585   0.0000   0.0000  253.888   5.5079  ?   ?       ?      ? 
1 1 1  -18   18   10 f   45.661   10.193  122.291   77.297 -15.4492  118.714  223.662  101.843   33.887   14.749   57.436   14.073 -23.54890 20.38557 
1 1 1  -18   18   11 o  160.209   6.4175  1639.85  130.566   0.0000   0.0000  1639.85  130.566  ?   ?   160.209   6.4175      ?      ? 
1 1 1  -18   18   12 o  140.284   6.9119  1259.28  123.136   0.0000   0.0000  1259.28  123.136  ?   ?   140.284   6.9119      ?      ? 
1 1 1  -18   18   13 o  171.662   4.6133  1883.07  100.286  1915.17  148.001  1855.82  136.365  172.970   6.7378  170.354   6.3033 2.615463 9.226565 
1 1 1  -18   18   14 o   54.424   11.509  194.294   86.815  261.811  130.678  140.953  116.151   61.506   16.422   47.343   16.129 14.16230 23.01828 
1 1 1  -18   18   15 o   90.490   7.6020  531.804   87.209  575.443  127.126  493.012  119.859   94.007   10.649   86.972   10.852 7.035027 15.20399 
1 1 1  -18   18   16 o   79.636   9.4482  447.060   89.024  330.533  135.663  535.188  117.979   68.694   15.871   90.579   10.257 -21.88503 18.89632 
1 1 1  -18   18   17 o  138.069   6.2846  1250.64  100.680  1211.02  182.624  1267.94  120.675  135.803   10.589  140.334   6.7714 -4.531281 12.56928 
1 1 1  -18   18   18 o  156.096   6.7037  1594.72  132.337  1625.92  197.048  1569.08  178.612  157.282   9.8654  154.911   9.0792 2.370728 13.40744 
1 1 1  -18   18   19 o   83.492   12.998  488.719  140.876  272.566  182.990  803.227  220.731   60.387   20.247  106.597   16.306 -46.21044 25.99631 
1 1 1  -18   18   20 o   88.107   12.708  642.961  136.505  355.691  218.261  827.516  174.943   66.278   22.112  109.937   12.531 -43.65865 25.41599 
1 1 1  -18   18   21 o   92.216   11.520  642.056  126.603  574.169  201.288  686.489  162.847   85.244   19.071   99.189   12.928 -13.94520 23.04010 
1 1 1  -18   18   22 o  109.612   14.911  881.561  207.557  881.561  207.557   0.0000   0.0000  109.612   14.911  ?   ?       ?      ? 
1 1 1  -18   20    1 o   92.450   10.044  564.332  106.377  551.533  128.027  592.874  191.180   92.096   10.947   92.804   16.842 -0.7079315 20.08702 
1 1 1  -18   20    2 o  206.478   4.9668  2775.51  122.366  2862.01  150.705  2608.15  209.631  211.639   5.6073  201.318   8.1997 10.32120 9.933594 
1 1 1  -18   20    3 o  161.051   5.8242  1738.29  111.224  1893.78  138.707  1458.24  186.146  171.999   6.3503  150.104   9.7653 21.89574 11.64849 
1 1 1  -18   20    4 o  222.668   5.0837  3226.40  134.873  3317.08  165.748  3048.68  232.037  227.793   5.7297  217.544   8.3991 10.24866 10.16731 
1 1 1  -18   20    5 f  136.141   6.7292  1221.24  106.885  1257.71  129.171  1142.04  190.349  139.958   7.2676  132.324   11.328 7.634689 13.45850 
1 1 1  -18   20    6 o  122.142   7.3004  943.800  110.291  863.526  138.651  1082.11  181.996  115.485   9.4541  128.799   11.127 -13.31407 14.60088 
1 1 1  -18   20    7 o   67.901   12.023  332.369  101.196  360.064  125.199  280.176  171.871   72.551   14.097   63.252   19.480 9.298603 24.04533 
1 1 1  -18   20    8 o   91.618   7.3305  543.807   84.561  571.625  129.518  523.140  111.638   93.522   10.905   89.714   9.7988 3.807899 14.66099 
1 1 1  -18   20    9 o   98.376   7.3858  631.015   91.422  641.334  139.449  623.237  121.070   98.901   11.103   97.852   9.7430 1.049423 14.77157 
1 1 1  -18   20   10 o   65.082   10.729  286.088   88.354  416.082  135.776  190.610  116.363   77.666   14.293   52.498   16.004 25.16749 21.45707 
1 1 1  -18   20   11 o  207.153   4.3258  2760.68  112.799  2728.30  170.643  2785.81  150.325  205.906   6.5259  208.400   5.6801 -2.494675 8.651673 
1 1 1  -18   20   12 o   50.959   11.812  173.363   92.820   92.964  133.042  249.611  129.563   42.978   16.807   58.940   16.602 -15.96223 23.62419 
1 1 1  -18   20   13 o  131.008   6.8640  1137.67  113.284  1216.15  154.658  1046.82  166.402  136.272   8.9369  125.744   10.421 10.52823 13.72803 
1 1 1  -18   20   14 o  215.187   6.5485  3004.02  176.749  2771.56  229.407  3343.56  277.256  205.484   8.7913  224.890   9.7081 -19.40575 13.09706 
1 1 1  -18   20   15 o   99.272   11.605  726.159  134.261  340.511  181.326  1194.19  199.757   65.904   19.953  132.641   11.859 -66.73693 23.21087 
1 1 1  -18   20   16 o   89.114   11.964  601.768  130.534  779.949  184.480  423.110  184.727  105.395   13.783   72.834   19.559 32.56112 23.92740 
1 1 1  -18   20   17 o   81.766   12.434  506.743  123.036  589.783  197.632  454.191  157.219   86.390   18.567   77.142   16.545 9.247658 24.86887 
1 1 1  -18   20   18 o   56.054   13.068  259.231  112.666  174.075  172.483  322.603  148.795   48.985   19.142   63.122   17.795 -14.13713 26.13634 
1 1 1  -18   22    1 f   39.588   12.569 -238.6048  121.100 -392.8459  139.967  220.612  241.511   22.126   11.125   57.049   22.542 -34.92376 25.13729 
1 1 1  -18   22    2 o  106.503   9.6738  737.900  122.215  660.038  145.723  922.536  224.401   98.823   11.612  114.182   15.476 -15.35913 19.34753 
1 1 1  -18   22    3 o   29.383   10.321 -385.1141  119.327 -509.3478  144.599 -119.8970  211.274   20.647   10.486   38.119   17.779 -17.47152 20.64109 
1 1 1  -18   22    4 o   63.391   13.725  235.935  116.768  124.750  136.734  535.447  224.419   45.167   17.201   81.615   21.392 -36.44830 27.45036 
1 1 1  -18   22    5 f  123.492   7.8287  931.592  115.252  765.398  137.089  1332.21  212.844  107.092   10.080  139.891   11.981 -32.79893 15.65742 
1 1 1  -18   22    6 o   43.238   12.727   76.272  117.231  129.907  142.713 -35.0070  205.564   45.759   17.538   40.717   18.448 5.041801 25.45417 
1 1 1  -18   22    7 o  159.666   6.3893  1715.05  123.782  1783.73  155.958  1598.14  203.480  165.143   7.4365  154.188   10.392 10.95546 12.77859 
1 1 1  -18   22    8 o   50.819   12.141  189.439   91.972  199.911  144.030  182.229  119.510   51.869   17.950   49.769   16.351 2.099560 24.28105 
1 1 1  -18   22    9 o   48.629   11.209  128.377   85.864  316.030  143.413   23.525  107.201   63.782   17.278   33.477   14.284 30.30405 22.41801 
1 1 1  -18   22   10 o  103.930   10.304  775.901  133.686  806.057  209.881  755.314  173.417  104.498   15.816  103.363   13.211 1.135727 20.60769 
1 1 1  -18   22   11 o  120.360   9.1606  1023.10  137.709  1270.04  201.506  806.705  188.631  135.064   11.748  105.655   14.059 29.40944 18.32120 
1 1 1  -18   22   12 o  109.146   9.7420  833.021  131.509  1013.74  218.109  729.791  164.843  117.199   14.655  101.093   12.840 16.10608 19.48401 
1 1 1  -17    1    1 o  492.518   4.1961 15361.21  261.908 16139.62  385.830 14695.99  356.674  504.050   6.0276  480.986   5.8393 23.06412 8.392222 
1 1 1  -17    1    2 o  601.701   4.9565 23002.56  378.729 22979.58  534.640 23025.70  536.573  601.400   7.0004  602.002   7.0186 -0.6021729 9.912930 
1 1 1  -17    1    3 o  538.110   4.5229 18389.96  309.003 18152.33  431.436 18640.24  442.776  534.544   6.3556  541.677   6.4367 -7.132690 9.045728 
1 1 1  -17    1    4 o  360.721   3.3910  8245.36  155.142  8656.55  226.411  7881.41  213.011  369.179   4.8293  352.263   4.7616 16.91504 6.781971 
1 1 1  -17    1    5 o  598.058   4.9494 22709.12  375.738 23222.84  541.245 22231.24  522.024  604.580   7.0496  591.536   6.9491 13.04346 9.898836 
1 1 1  -17    1    6 f  161.635   3.0467  1657.77   62.482  1626.04   86.248  1692.81   90.642  160.010   4.2445  163.260   4.3719 -3.250977 6.093348 
1 1 1  -17    1    7 o  860.530   6.8668 47061.90  750.313 47577.24  1071.82 46566.68  1050.70  865.144   9.7557  855.916   9.6665 9.228821 13.73369 
1 1 1  -17    1    8 f  419.296   4.6807 11194.81  236.282 11086.42  403.662 11251.30  291.424  417.715   7.6096  420.877   5.4525 -3.161530 9.361353 
1 1 1  -17    1    9 o  508.746   4.4206 16433.30  285.525 16794.42  409.635 16092.08  398.194  514.178   6.2734  503.313   6.2299 10.86465 8.841233 
1 1 1  -17    1   10 o  421.874   5.5286 11304.68  296.195 11304.68  296.195   0.0000   0.0000  421.874   5.5286  ?   ?       ?      ? 
1 1 1  -17    1   11 o  206.556   3.8167  2696.73   99.856  2523.34  135.450  2903.16  147.792  199.318   5.3512  213.793   5.4435 -14.47420 7.633305 
1 1 1  -17    1   12 o  130.124   5.5771  1075.34   92.131  1093.11  132.312  1058.62  128.365  131.166   7.9433  129.082   7.8308 2.084625 11.15421 
1 1 1  -17    1   13 o  159.080   5.0852  1608.30  102.356  1792.88  146.541  1432.45  143.029  168.000   6.8687  150.160   7.5005 17.83948 10.17035 
1 1 1  -17    1   14 o  303.803   6.2354  5862.49  240.567  5862.49  240.567   0.0000   0.0000  303.803   6.2354  ?   ?       ?      ? 
1 1 1  -17    1   15 o  245.667   5.2020  3824.11  162.075  4038.80  236.672  3634.52  222.410  252.142   7.3913  239.191   7.3220 12.95094 10.40402 
1 1 1  -17    1   16 o  446.933   4.9026 12676.14  278.099 13076.87  401.677 12307.21  385.411  453.709   6.9714  440.157   6.8951 13.55209 9.805240 
1 1 1  -17    1   17 o   88.208   11.138  565.655   95.894  609.018  108.254  407.632  206.655   97.897   8.7076   78.518   20.503 19.37865 22.27551 
1 1 1  -17    1   18 o  194.608   5.5527  2443.04  117.576  2478.34  135.572  2335.93  236.162  197.527   5.4046  191.689   9.7014 5.838120 11.10530 
1 1 1  -17    1   19 o  500.666   5.3725 15874.82  303.147 15804.51  354.337 16066.81  585.511  498.742   5.5945  502.590   9.1737 -3.847656 10.74500 
1 1 1  -17    1   20 o  108.124   5.8223  740.506   78.272  966.177  115.827  550.835  106.188  123.237   7.4010   93.010   8.9902 30.22746 11.64465 
1 1 1  -17    1   21 o  270.734   3.7416  4670.38  128.290  4488.52  186.168  4834.84  177.036  265.689   5.5176  275.780   5.0550 -10.09058 7.483141 
1 1 1  -17    1   22 o  172.103   4.5035  1876.10   97.787  1957.47  148.219  1813.38  130.124  175.375   6.6551  168.830   6.0692 6.545120 9.006991 
1 1 1  -17    1   23 o  168.387   4.5232  1804.06   96.140  1812.13  144.236  1797.60  128.967  168.703   6.7324  168.071   6.0424 0.6325989 9.046340 
1 1 1  -17    1   24 o   72.417   9.6446  380.145   84.821  153.827  124.933  573.672  115.528   50.088   16.730   94.746   9.6017 -44.65877 19.28926 
1 1 1  -17    1   25 o  130.719   6.0095  1088.90   99.404  1119.87  147.780  1063.30  134.335  132.386   8.7902  129.052   8.1969 3.334244 12.01899 
1 1 1  -17    1   26 o   75.967   9.8898  382.556   92.660  449.384  131.087  315.823  130.995   83.506   12.361   68.429   15.441 15.07721 19.77962 
1 1 1  -17    1   27 o   48.310   12.374  127.837   98.879   89.747  143.017  162.716  136.858   45.157   17.490   51.464   17.508 -6.306911 24.74787 
1 1 1  -17    1   28 o  116.548   7.7899  875.793  114.888  976.478  164.951  780.931  160.111  123.127   10.549  109.969   11.465 13.15790 15.57987 
1 1 1  -17    1   29 o   62.753   12.050  255.179  113.427   52.890  161.708  451.098  159.142   44.015   18.067   81.492   15.949 -37.47704 24.09923 
1 1 1  -17    1   30 o   59.836   13.189  238.664  113.750  166.346  159.157  314.177  162.634   52.557   18.812   67.116   18.491 -14.55875 26.37776 
1 1 1  -17    1   31 o   41.661   12.471   29.722  113.275   18.324  172.786   38.312  150.009   42.245   18.083   41.077   17.179 1.168087 24.94192 
1 1 1  -17    1   32 o   34.490   11.121 -81.5951  109.982 -161.0422  162.895 -15.0386  149.095   31.928   15.115   37.052   16.316 -5.124315 22.24114 
1 1 1  -17    1   34 o   55.213   18.651  237.453  155.299   0.0000   0.0000  237.453  155.299  ?   ?    55.213   18.651      ?      ? 
1 1 1  -17    1   35 o   44.232   12.618   90.716  118.873  242.429  171.633 -49.1580  164.800   53.742   19.496   34.723   16.024 19.01965 25.23624 
1 1 1  -17    3    1 o  797.782   6.3820 40451.98  646.578 40447.03  913.844 40456.96  914.957  797.734   9.0206  797.831   9.0305 -0.9710693E-01 12.76408 
1 1 1  -17    3    2 o  419.349   3.7443 11164.90  199.328 10995.08  277.530 11345.84  286.468  416.058   5.2526  422.640   5.3374 -6.582184 7.488524 
1 1 1  -17    3    3 o  293.927   3.0833  5487.15  115.047  5684.48  163.319  5292.78  162.090  299.174   4.2987  288.681   4.4214 10.49341 6.166634 
1 1 1  -17    3    4 o  701.349   5.6948 31223.02  506.779 30487.00  699.430 32036.48  735.304  692.664   7.9514  710.034   8.1547 -17.37042 11.38967 
1 1 1  -17    3    5 o  433.951   3.8734 11961.92  213.445 12029.03  300.741 11893.80  302.983  435.179   5.4419  432.723   5.5135 2.455109 7.746810 
1 1 1  -17    3    6 o   60.823   6.9646  250.363   50.057  327.286   68.939  164.581   72.801   71.771   7.5637   49.875   11.697 21.89579 13.92912 
1 1 1  -17    3    7 f  132.055   3.7863  1111.67   63.148  1245.97   89.317  977.445   89.293  140.061   5.0215  124.049   5.6682 16.01218 7.572585 
1 1 1  -17    3    8 o  424.995   4.8756 11258.85  245.066 12063.00  441.754 10901.34  294.546  435.713   7.9837  414.277   5.5987 21.43597 9.751104 
1 1 1  -17    3    9 o  426.382   4.0030 11551.14  216.684 11753.03  304.593 11344.29  308.316  430.157   5.5759  422.606   5.7449 7.550507 8.005906 
1 1 1  -17    3   10 f  373.810   5.3526  8426.77  211.113  8093.43  237.160  9699.13  463.345  356.968   5.2316  390.653   9.3398 -33.68472 10.70518 
1 1 1  -17    3   11 o  318.860   5.2203  6457.54  211.383  6457.54  211.383   0.0000   0.0000  318.860   5.2203  ?   ?       ?      ? 
1 1 1  -17    3   12 f  252.743   5.6336  4057.27  180.819  4057.27  180.819   0.0000   0.0000  252.743   5.6336  ?   ?       ?      ? 
1 1 1  -17    3   13 o   47.333   10.346   97.036   93.910 -205.8655  154.783  273.491  118.138   30.377   14.481   64.289   14.779 -33.91278 20.69106 
1 1 1  -17    3   14 o  746.716   7.5683 34804.20  666.997 33767.99  800.584 37155.63  1206.00  729.007   8.6476  764.425   12.423 -35.41791 15.13669 
1 1 1  -17    3   15 o  628.263   6.2092 24673.22  427.163 24287.10  490.348 25888.54  869.933  618.348   6.2444  638.177   10.734 -19.82898 12.41831 
1 1 1  -17    3   16 o  422.463   4.7570 11358.03  229.109 11384.16  270.121 11291.04  432.513  423.372   5.0241  421.553   8.0792 1.818817 9.513938 
1 1 1  -17    3   17 o  209.204   4.9947  2768.56  128.627  2732.62  162.476  2828.90  210.537  207.407   6.1686  211.001   7.8572 -3.594177 9.989340 
1 1 1  -17    3   18 o  438.102   4.8794 12171.15  244.134 12139.14  287.809 12253.26  460.979  437.148   5.1844  439.056   8.2677 -1.907471 9.758717 
1 1 1  -17    3   19 o  188.528   4.9428  2274.29  110.360  2300.61  134.191  2219.31  193.988  190.269   5.5536  186.787   8.1781 3.481964 9.885539 
1 1 1  -17    3   20 f  308.557   4.4558  6125.94  163.734  6265.62  200.712  5848.06  283.091  313.967   5.0340  303.147   7.3535 10.81967 8.911512 
1 1 1  -17    3   21 o   97.589   8.7112  607.481  100.451  604.547  121.433  613.841  178.771   97.347   9.8228   97.831   14.389 -0.4839020 17.42245 
1 1 1  -17    3   22 o  182.698   5.1681  2152.74  112.103  2204.55  137.091  2048.16  194.755  186.158   5.7989  179.238   8.5562 6.920670 10.33619 
1 1 1  -17    3   23 o  162.908   4.7378  1696.55   95.736  1658.66  151.828  1721.56  123.349  161.340   7.4102  164.476   5.9055 -3.136200 9.475557 
1 1 1  -17    3   24 o  106.034   6.6381  718.868   88.143  716.553  136.353  720.529  115.525  105.830   10.146  106.238   8.5628 -0.4084091 13.27615 
1 1 1  -17    3   25 o  198.758   4.4562  2496.85  111.539  2667.81  171.200  2370.76  147.025  204.591   6.5893  192.926   6.0010 11.66449 8.912382 
1 1 1  -17    3   26 o  125.347   6.5552  1004.29  103.154  1020.79  158.868  992.265  135.634  126.156   9.9163  124.538   8.5761 1.617935 13.11044 
1 1 1  -17    3   27 o   24.476   8.5684 -305.5731   96.066 -326.5374  126.604 -277.1205  147.492   22.284   11.111   26.669   13.047 -4.385273 17.13680 
1 1 1  -17    3   28 o   32.284   10.358 -162.3681  102.276 -356.0541  145.315   27.760  143.974   24.247   12.060   40.322   16.843 -16.07450 20.71552 
1 1 1  -17    3   29 o  135.421   6.9553  1152.04  115.958  1302.97  193.479  1067.44  144.856  141.973   10.731  128.868   8.8514 13.10504 13.91068 
1 1 1  -17    3   30 o  127.960   7.6796  1073.96  120.440  1023.86  195.287  1104.71  153.004  125.117   12.291  130.802   9.2110 -5.685066 15.35921 
1 1 1  -17    3   31 o   50.693   11.919  136.057  108.306 -66.6100  161.274  302.544  146.172   36.127   16.357   65.258   17.342 -29.13084 23.83883 
1 1 1  -17    3   32 o   81.508   10.822  480.833  107.228  318.490  154.273  632.563  149.144   65.804   17.959   97.212   12.081 -31.40746 21.64484 
1 1 1  -17    3   33 o   28.496   13.727 -401.5121  104.157 -186.4180  147.337 -616.3907  147.263   28.496   13.727  ?   ?       ?      ? 
1 1 1  -17    3   34 o   41.386   11.715   38.782  110.148 -164.7537  163.161  209.217  149.305   30.641   14.678   52.130   18.263 -21.48819 23.42994 
1 1 1  -17    5    1 o  1318.67   12.644 111028.70  2000.01 111490.00  2457.29 110123.40  3442.38  1323.51   14.620  1313.82   20.632 9.684326 25.28702 
1 1 1  -17    5    2 o  315.081   7.0771  6307.16  283.174   0.0000   0.0000  6307.16  283.174  ?   ?   315.081   7.0771      ?      ? 
1 1 1  -17    5    3 o  573.950   4.8247 20919.90  351.531 20659.29  489.374 21197.74  505.287  570.261   6.7575  577.639   6.8882 -7.377930 9.649426 
1 1 1  -17    5    4 o  169.248   4.4353  1819.24   95.328  1819.24   95.328   0.0000   0.0000  169.248   4.4353  ?   ?       ?      ? 
1 1 1  -17    5    5 o  477.622   4.2458 14479.14  257.248 14257.25  354.483 14726.00  373.901  473.763   5.8919  481.481   6.1151 -7.718048 8.491676 
1 1 1  -17    5    6 o  106.801   4.1788  719.848   56.491  655.291   76.496  797.284   83.780  101.569   5.9306  112.034   5.8886 -10.46543 8.357504 
1 1 1  -17    5    7 o  608.375   5.1651 23509.54  398.828 23361.41  554.040 23668.85  574.578  606.392   7.1947  610.358   7.4129 -3.966492 10.33023 
1 1 1  -17    5    8 o  647.316   6.8503 27008.73  529.365 27780.49  651.418 25508.13  908.352  661.239   7.7575  633.393   11.293 27.84558 13.70065 
1 1 1  -17    5    9 o  419.227   4.4617 10637.71  200.502 10215.01  226.709 12155.43  429.587  401.053   4.4513  437.400   7.7338 -36.34729 8.923368 
1 1 1  -17    5   10 o  463.120   4.7228 13572.41  244.538 13515.16  284.534 13734.21  478.316  461.305   4.8570  464.935   8.1011 -3.630524 9.445549 
1 1 1  -17    5   11 o  645.700   6.1365 26700.42  445.138 26944.75  521.112 26040.93  856.148  651.309   6.3004  640.091   10.532 11.21838 12.27304 
1 1 1  -17    5   12 o  417.707   4.7246 11306.70  243.906 12260.94  319.057  9964.88  378.343  439.363   5.7183  396.051   7.5224 43.31244 9.449102 
1 1 1  -17    5   13 o  335.242   4.9492  6982.12  207.309  6321.17  265.871  8007.23  331.108  315.457   6.6367  355.028   7.3439 -39.57141 9.898467 
1 1 1  -17    5   14 o  179.619   5.3522  2036.74  115.963  2008.96  142.670  2090.83  199.066  177.840   6.3172  181.397   8.6415 -3.557327 10.70434 
1 1 1  -17    5   15 o  264.396   4.2483  4446.57  136.141  4461.32  169.106  4419.41  229.509  265.035   5.0243  263.758   6.8520 1.276733 8.496688 
1 1 1  -17    5   16 o  318.590   4.2026  6549.02  158.807  6743.16  194.296  6158.31  275.633  325.839   4.6955  311.341   6.9714 14.49792 8.405213 
1 1 1  -17    5   17 f  118.418   6.0034  910.694   88.319  1033.41  118.942  759.878  131.860  127.519   7.3448  109.317   9.4983 18.20245 12.00686 
1 1 1  -17    5   18 o  210.557   4.3857  2796.66  113.042  2740.11  141.402  2896.80  188.167  207.657   5.3620  213.457   6.9416 -5.800079 8.771358 
1 1 1  -17    5   19 o  277.339   4.3449  4891.86  145.545  4893.25  179.941  4889.22  247.520  277.460   5.1068  277.217   7.0309 0.2427979 8.689852 
1 1 1  -17    5   20 o  307.634   4.3550  6021.61  160.468  6024.66  196.652  6015.53  277.604  307.844   5.0303  307.425   7.1106 0.4183960 8.710031 
1 1 1  -17    5   21 o  278.221   4.4001  4880.90  149.077  4772.78  185.121  5080.38  251.445  273.955   5.3211  282.487   7.0092 -8.531464 8.800137 
1 1 1  -17    5   22 o  315.829   4.5798  6233.88  172.985  6016.76  209.950  6692.85  305.254  307.551   5.3755  324.108   7.4164 -16.55670 9.159674 
1 1 1  -17    5   23 o   68.753   12.117  299.493  106.957  196.298  138.508  451.919  168.336   55.375   17.554   82.132   16.708 -26.75688 24.23405 
1 1 1  -17    5   24 o  145.179   6.6914  1327.22  119.895  1263.69  150.996  1435.61  197.235  140.658   8.4532  149.699   10.375 -9.040894 13.38270 
1 1 1  -17    5   25 f  172.006   5.0779  1933.64  104.662  1743.70  175.782  2037.95  130.270  165.148   8.3816  178.864   5.7351 -13.71674 10.15589 
1 1 1  -17    5   26 o   27.763   9.2966 -148.2897   87.385 -107.5911  126.774 -185.1319  120.618   29.909   13.890   25.616   12.360 4.292915 18.59320 
1 1 1  -17    5   27 o   67.421   17.449  310.926  150.553   0.0000   0.0000  310.926  150.553  ?   ?    67.421   17.449      ?      ? 
1 1 1  -17    5   28 o   52.796   12.035  174.763   99.569   56.923  150.214  267.113  132.980   43.081   17.517   62.510   16.507 -19.42879 24.06919 
1 1 1  -17    5   29 o   39.055   12.149 -27.3698  109.227   6.2082  192.580 -43.2940  132.621   44.125   18.994   33.984   15.153 10.14069 24.29744 
1 1 1  -17    5   30 o  117.483   8.1463  896.481  115.304  927.219  198.227  880.762  141.752  118.443   13.179  116.523   9.5794 1.920250 16.29251 
1 1 1  -17    5   31 o   42.848   12.510   63.228  108.006   45.661  178.404   73.392  135.700   43.921   18.571   41.776   16.768 2.144772 25.02081 
1 1 1  -17    5   32 o  182.698   6.0887  2299.19  131.669  1409.35  189.982  3121.67  182.651  145.696   10.268  219.699   6.5466 -74.00362 12.17746 
1 1 1  -17    5   33 o   29.104   9.8519 -159.0442  103.516 -173.7552  151.414 -146.1347  141.840   29.209   14.030   28.998   13.834 0.2107277 19.70379 
1 1 1  -17    5   34 o   32.600   10.640 -57.5334  102.928 -71.2997  145.927 -43.9036  145.201   31.996   14.874   33.203   15.219 -1.206839 21.28029 
1 1 1  -17    7    1 o  792.139   7.7502 40255.07  746.084 41187.46  934.654 38617.50  1238.66  805.047   9.1422  779.232   12.517 25.81482 15.50037 
1 1 1  -17    7    2 o  521.562   5.5048 16741.68  334.098 15987.42  395.220 18630.33  625.396  501.682   6.2034  541.440   9.0955 -39.75803 11.00958 
1 1 1  -17    7    3 o  1019.05   9.2323 66868.09  1055.50 67820.81  1236.42 64308.46  2026.62  1033.02   9.4250  1005.07   15.878 27.94751 18.46463 
1 1 1  -17    7    4 o  299.711   3.6105  5814.25  125.162  5978.53  150.030  5438.20  226.992  306.825   3.8504  292.598   6.1089 14.22699 7.221096 
1 1 1  -17    7    5 f  144.373   3.8188  1251.37   63.016  1166.79   73.303  1490.88  123.352  135.545   4.2585  153.201   6.3403 -17.65556 7.637681 
1 1 1  -17    7    6 o  347.234   3.9221  7751.90  156.094  7880.11  185.356  7439.23  289.454  352.254   4.1435  342.214   6.6605 10.04050 7.844147 
1 1 1  -17    7    7 o  258.480   3.5247  4291.00  105.769  4363.41  126.732  4124.81  192.001  262.126   3.8071  254.834   5.9329 7.291733 7.049387 
1 1 1  -17    7    8 o  371.716   4.1619  8644.61  173.734  8499.05  202.042  9057.63  340.335  365.827   4.3490  377.605   7.0973 -11.77817 8.323758 
1 1 1  -17    7    9 o  513.401   5.1840 16756.08  299.655 16769.72  350.493 16719.02  577.692  513.846   5.3712  512.955   8.8683 0.8910522 10.36801 
1 1 1  -17    7   10 o  473.073   4.9230 14364.99  265.717 14559.75  314.348 13877.52  497.318  478.796   5.1699  467.351   8.3794 11.44482 9.845939 
1 1 1  -17    7   11 o  674.069   6.4243 29346.15  494.693 29984.65  586.997 27781.18  918.987  687.045   6.7278  661.093   10.946 25.95233 12.84858 
1 1 1  -17    7   12 o  381.936   4.8250  9264.57  234.026  9264.57  234.026   0.0000   0.0000  381.936   4.8250  ?   ?       ?      ? 
1 1 1  -17    7   13 o  268.987   4.0859  4590.34  131.869  4579.33  161.763  4612.15  227.683  268.521   4.7438  269.452   6.6538 -0.9310608 8.171704 
1 1 1  -17    7   14 o  846.227   7.8162 45979.31  744.222 46510.66  872.613 44561.58  1425.36  855.554   8.0315  836.901   13.411 18.65259 15.63235 
1 1 1  -17    7   15 o   67.709   9.7109  302.535   80.402  304.475  109.232  300.242  118.778   68.021   13.121   67.396   14.320 0.6246414 19.42180 
1 1 1  -17    7   16 o  242.715   4.0452  3761.96  119.603  3810.90  149.859  3676.11  198.506  244.924   4.8181  240.505   6.4994 4.419250 8.090461 
1 1 1  -17    7   17 o  345.448   4.2681  7599.10  174.192  7621.19  210.888  7551.67  309.025  346.316   4.7951  344.579   7.0620 1.736267 8.536107 
1 1 1  -17    7   18 o  321.392   4.1920  6560.98  161.380  6545.10  197.633  6592.77  279.565  320.892   4.8498  321.892   6.8390 -1.001038 8.384091 
1 1 1  -17    7   19 f  301.440   4.1815  5818.65  152.983  5915.48  191.016  5645.44  255.481  305.041   4.9310  297.839   6.7546 7.202179 8.362967 
1 1 1  -17    7   20 o  274.381   4.2056  4841.39  142.508  5028.31  183.454  4556.97  226.297  281.200   5.1373  267.562   6.6600 13.63843 8.411161 
1 1 1  -17    7   21 o  236.370   4.4646  3523.46  131.384  3396.46  168.471  3720.59  209.895  231.037   5.7421  241.704   6.8382 -10.66667 8.929282 
1 1 1  -17    7   22 o  147.706   5.8931  1405.38  109.267  1501.75  147.147  1286.91  163.140  153.471   7.5500  141.942   9.0505 11.52919 11.78618 
1 1 1  -17    7   23 o  169.352   5.5209  1837.97  118.012  1911.17  160.313  1751.39  174.357  173.103   7.2927  165.601   8.2908 7.501846 11.04179 
1 1 1  -17    7   24 f  169.844   5.6632  1823.47  121.232  1690.58  159.981  2002.70  185.798  162.689   7.7434  176.999   8.2660 -14.30923 11.32635 
1 1 1  -17    7   25 o   43.927   12.475   66.345  103.062   69.059  128.689   61.490  172.101   41.880   16.484   45.974   18.728 -4.093979 24.94908 
1 1 1  -17    7   26 o   81.613   13.244  432.444  137.263   0.0000   0.0000  432.444  137.263  ?   ?    81.613   13.244      ?      ? 
1 1 1  -17    7   27 f  112.483   7.5584  881.896   96.124  658.423  168.271  990.144  117.113  100.582   13.174  124.384   7.4142 -23.80170 15.11685 
1 1 1  -17    7   28 o   48.884   12.579  138.801   99.065   94.040  173.667  160.392  120.614   47.897   19.055   49.872   16.428 -1.974468 25.15897 
1 1 1  -17    7   29 o   41.190   11.986 -40.2536  101.953  181.809  183.302 -139.7240  122.681   54.891   20.112   27.489   13.043 27.40224 23.97140 
1 1 1  -17    7   30 o   49.240   11.630  159.696   98.930 -60.4002  181.038  253.403  118.127   38.557   17.405   59.923   15.430 -21.36565 23.25998 
1 1 1  -17    7   31 o   24.138   12.193 -690.6287  103.364 -551.9159  179.299 -759.6744  126.499   24.138   12.193  ?   ?       ?      ? 
1 1 1  -17    7   32 o   33.770   11.413 -125.3119  119.305 -369.1362  269.629 -65.9526  133.037   36.082   17.649   31.458   14.474 4.624516 22.82516 
1 1 1  -17    7   33 f   24.475   12.010 -215.2910  127.918   0.0000   0.0000 -215.2910  127.918  ?   ?    24.475   12.010      ?      ? 
1 1 1  -17    9    1 o  410.686   4.5030 10805.68  209.622 10920.41  246.788 10508.48  397.202  414.669   4.6865  406.703   7.6905 7.965912 9.005947 
1 1 1  -17    9    2 o  484.344   4.9723 14928.56  268.753 14957.39  312.866 14847.38  524.943  485.291   5.0767  483.397   8.5513 1.893921 9.944680 
1 1 1  -17    9    3 o  651.667   6.2593 26780.58  448.607 26579.60  517.079 27392.30  902.090  646.876   6.2944  656.457   10.821 -9.580994 12.51852 
1 1 1  -17    9    4 o  541.666   5.6812 18355.74  361.920 17904.41  433.612 19392.29  657.130  530.914   6.4313  552.417   9.3671 -21.50299 11.36243 
1 1 1  -17    9    5 o  470.009   4.8978 14014.72  259.666 13993.44  303.875 14072.34  499.910  469.395   5.0978  470.624   8.3645 -1.229309 9.795519 
1 1 1  -17    9    6 o  663.744   6.9465 25938.31  517.251 23868.08  593.710 32459.01  1053.69  612.943   7.6274  714.544   11.612 -101.6000 13.89297 
1 1 1  -17    9    7 o  314.040   4.3472  6485.93  167.336  7794.59  226.100  4900.93  248.828  350.324   5.0822  277.756   7.0544 72.56799 8.694421 
1 1 1  -17    9    8 o  489.582   5.0712 15305.04  284.390 15409.33  336.710 15045.48  531.198  492.559   5.3829  486.605   8.5961 5.954041 10.14245 
1 1 1  -17    9    9 o  456.823   4.8148 13298.59  252.249 13354.60  298.698 13159.33  470.998  458.549   5.1294  455.096   8.1496 3.453217 9.629511 
1 1 1  -17    9   10 o  725.951   7.3428 33617.48  651.247 33937.29  818.381 33065.27  1075.39  730.787   8.8183  721.115   11.743 9.672668 14.68550 
1 1 1  -17    9   11 f  369.836   4.3148  8767.05  187.006  8896.08  225.558  8483.37  334.459  374.258   4.7458  365.414   7.2074 8.843933 8.629564 
1 1 1  -17    9   12 o  219.055   3.9913  3075.35  105.631  3139.15  131.328  2958.46  177.776  222.316   4.6517  215.794   6.4872 6.521652 7.982552 
1 1 1  -17    9   13 o  288.582   3.9550  5286.68  135.615  5279.08  164.833  5302.61  238.583  288.289   4.5024  288.875   6.5036 -0.5862732 7.909959 
1 1 1  -17    9   14 o  585.915   5.7578 21878.98  383.026 21933.33  450.486 21737.19  727.662  587.455   6.0385  584.375   9.8053 3.080444 11.51552 
1 1 1  -17    9   15 o  439.048   4.7626 12301.71  243.914 12366.71  292.445 12153.14  442.124  441.103   5.2207  436.993   7.9670 4.110443 9.525112 
1 1 1  -17    9   16 o   70.148   9.1992  320.595   78.905  321.120  102.921  319.846  122.896   70.907   11.430   69.389   14.417 1.517693 18.39845 
1 1 1  -17    9   17 o  295.706   4.0744  5551.02  144.386  5530.11  176.853  5592.81  250.038  294.953   4.7215  296.459   6.6415 -1.506348 8.148732 
1 1 1  -17    9   18 o  315.887   4.1075  6373.10  155.772  6426.46  191.735  6269.50  267.166  317.938   4.7488  313.837   6.7035 4.100555 8.215075 
1 1 1  -17    9   19 o  117.902   6.1820  888.205   92.159  902.388  125.221  871.443  136.126  118.958   8.2891  116.845   9.1739 2.113564 12.36405 
1 1 1  -17    9   20 o  157.630   5.1902  1603.06  102.486  1743.59  138.187  1431.26  152.783  165.460   6.5765  149.799   8.0313 15.66101 10.38039 
1 1 1  -17    9   21 o   70.395   10.706  331.166   92.919  291.861  128.360  374.440  134.684   65.877   15.587   74.912   14.682 -9.035728 21.41296 
1 1 1  -17    9   22 o   78.621   9.7022  406.801   93.750  329.205  130.303  490.077  134.986   69.983   15.104   87.260   12.181 -17.27715 19.40445 
1 1 1  -17    9   23 o   82.431   9.9940  466.398   98.368  597.674  135.070  318.136  143.543   96.401   11.033   68.460   16.667 27.94061 19.98803 
1 1 1  -17    9   24 o   25.841   9.1211 -377.5471  107.623 -421.3474  134.691 -300.1958  178.992   21.382   10.772   30.299   14.722 -8.917141 18.24213 
1 1 1  -17    9   25 o   43.493   12.267 -47.5285  117.838 -233.4576  155.027  206.894  181.348   29.048   14.015   57.937   20.137 -28.88881 24.53381 
1 1 1  -17    9   26 o   42.860   12.697   8.2085  120.181 -80.7711  165.890  106.494  174.348   36.624   16.585   49.096   19.229 -12.47260 25.39322 
1 1 1  -17    9   27 o   42.244   12.497   6.0044  119.030 -111.7585  171.040  116.598  165.753   35.660   16.409   48.829   18.853 -13.16903 24.99321 
1 1 1  -17    9   28 o  136.080   6.9833  1210.74  107.758  1186.31  203.660  1220.24  126.990  134.404   11.932  137.757   7.2590 -3.353104 13.96666 
1 1 1  -17    9   29 o   63.450   12.322  255.281   96.746  405.413  177.938  192.274  115.272   74.426   18.816   52.473   15.914 21.95280 24.64305 
1 1 1  -17    9   30 o  ?   ?  -1670.9091  344.111 -1670.9091  344.111   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -17    9   31 o   37.962   15.855   50.526  127.544   0.0000   0.0000   50.526  127.544  ?   ?    37.962   15.855      ?      ? 
1 1 1  -17   11    1 o  266.471   3.9271  4535.28  120.110  4569.37  142.423  4451.32  223.507  268.234   4.1811  264.708   6.6488 3.525757 7.854205 
1 1 1  -17   11    2 o  430.739   5.5528 11784.32  303.676 11590.45  424.010 11988.51  435.132  427.104   7.8174  434.374   7.8882 -7.269684 11.10569 
1 1 1  -17   11    3 o  133.046   5.0909  1106.12   77.504  1082.86   91.083  1167.13  147.545  130.570   5.4931  135.523   8.5730 -4.953598 10.18188 
1 1 1  -17   11    4 o  584.733   5.7327 21627.43  373.300 21521.98  433.356 21930.78  734.985  582.083   5.8625  587.383   9.8532 -5.299622 11.46539 
1 1 1  -17   11    5 f  140.226   4.7077  1238.74   79.625  1216.52   97.859  1282.27  136.973  138.391   5.5682  142.060   7.5925 -3.668762 9.415428 
1 1 1  -17   11    6 o  416.868   4.5424 11021.61  217.496 10997.24  257.392 11082.45  406.711  416.107   4.8709  417.628   7.6687 -1.520233 9.084840 
1 1 1  -17   11    7 o  484.557   4.9985 14919.06  275.045 14919.65  323.305 14917.51  523.295  484.647   5.2530  484.467   8.5056 0.1794434 9.996966 
1 1 1  -17   11    8 o  459.286   4.8193 13474.99  256.638 13579.90  306.496 13228.88  469.432  462.362   5.2199  456.210   8.1027 6.151886 9.638556 
1 1 1  -17   11    9 o   99.954   6.0718  595.926   74.643  460.067   93.217  838.697  124.610   85.060   8.6296  114.848   8.5438 -29.78806 12.14358 
1 1 1  -17   11   10 o  535.795   5.4136 18077.45  326.780 17874.31  381.254 18639.87  634.378  530.356   5.6607  541.235   9.2296 -10.87988 10.82727 
1 1 1  -17   11   11 o  206.616   4.0720  2759.80  102.276  2885.89  129.003  2546.43  167.815  213.112   4.7667  200.119   6.6034 12.99287 8.144037 
1 1 1  -17   11   12 o  180.792   4.2472  2077.99   94.208  2076.75  118.770  2080.09  154.703  180.753   5.1742  180.831   6.7367 -0.7814026E-01 8.494434 
1 1 1  -17   11   13 o   72.018   8.3858  323.707   73.771  268.596   94.149  411.356  118.733   63.796   12.063   80.240   11.652 -16.44480 16.77159 
1 1 1  -17   11   14 o  203.733   4.1278  2685.82  103.359  2843.91  132.872  2443.57  164.479  211.505   4.9469  195.961   6.6094 15.54416 8.255683 
1 1 1  -17   11   15 o  264.473   3.9203  4490.19  124.383  4578.92  153.447  4320.17  212.400  268.393   4.5020  260.552   6.4192 7.840332 7.840563 
1 1 1  -17   11   16 o  139.489   5.0933  1269.56   87.215  1382.05  113.040  1104.12  137.089  147.374   6.0400  131.604   8.2027 15.76935 10.18653 
1 1 1  -17   11   17 o  182.855   4.4534  2113.11  101.561  2050.00  130.872  2208.68  161.031  179.488   5.7416  186.223   6.8092 -6.735748 8.906840 
1 1 1  -17   11   18 o  289.401   4.1717  5381.69  145.381  5494.76  180.132  5170.42  246.225  293.923   4.8259  284.879   6.8060 9.044006 8.343355 
1 1 1  -17   11   19 o   58.671   11.404  229.618   87.490  218.864  120.002  241.821  127.827   57.268   15.924   60.074   16.328 -2.805805 22.80716 
1 1 1  -17   11   20 o  136.802   5.7389  1185.89   99.293  1069.52  133.760  1328.73  148.190  129.385   8.1408  144.219   8.0913 -14.83418 11.47785 
1 1 1  -17   11   21 o  173.687   4.9710  1918.56  108.569  1877.62  143.134  1974.03  166.604  171.571   6.5694  175.804   7.4624 -4.233566 9.942024 
1 1 1  -17   11   22 o   77.702   11.387  361.735  110.881  195.843  138.656  656.010  184.672   54.973   17.577  100.430   14.480 -45.45686 22.77339 
1 1 1  -17   11   23 o  159.117   6.6857  1529.34  130.682  1127.67  164.541  2215.57  215.067  132.442   9.7830  185.793   9.1152 -53.35107 13.37142 
1 1 1  -17   11   24 o   41.172   12.003   38.160  102.538   73.584  141.070  -1.5194  149.303   43.402   17.203   38.942   16.743 4.459869 24.00560 
1 1 1  -17   11   25 o   51.645   12.996  148.542  113.858  239.633  155.387   42.934  167.311   59.549   18.552   43.740   18.205 15.80864 25.99229 
1 1 1  -17   11   26 o   55.781   13.539  194.088  117.334  265.967  173.764  133.846  159.078   62.093   19.659   49.469   18.621 12.62344 27.07758 
1 1 1  -17   11   27 o   87.878   11.285  533.323  123.111  559.685  172.286  505.816  175.984   91.087   14.894   84.668   16.958 6.418449 22.57043 
1 1 1  -17   11   28 o   50.749   14.713  101.514  164.395 -401.0852  363.634  230.625  184.304   44.114   21.327   57.384   20.275 -13.26997 29.42677 
1 1 1  -17   11   29 o  ?   ?  -1065.1350  144.130   0.0000   0.0000 -1065.1350  144.130  ?   ?   ?   ?       ?      ? 
1 1 1  -17   13    1 o  404.874   4.4711 10492.24  206.101 10580.24  243.184 10267.88  388.301  408.038   4.6931  401.709   7.6116 6.328918 8.942144 
1 1 1  -17   13    2 o   67.100   9.0521  299.661   67.958  308.267   80.427  278.181  127.066   69.573   9.1030   64.627   15.649 4.946167 18.10416 
1 1 1  -17   13    3 o  219.615   3.9845  3077.79  101.546  3095.18  121.286  3037.04  185.699  220.709   4.3273  218.522   6.6917 2.187073 7.968952 
1 1 1  -17   13    4 o  439.461   4.6835 12163.55  231.664 12027.36  270.144 12542.10  450.370  435.024   4.8899  443.898   7.9893 -8.874115 9.366978 
1 1 1  -17   13    5 o  478.591   4.9814 14738.51  275.479 14980.42  328.963 14170.65  504.017  485.443   5.3362  471.738   8.4133 13.70486 9.962852 
1 1 1  -17   13    6 o  115.447   5.4339  779.616   74.680  666.547   88.823  1052.31  137.941  102.355   6.8335  128.539   8.4505 -26.18415 10.86773 
1 1 1  -17   13    7 o  236.985   3.9061  3514.78  110.227  3414.17  133.396  3731.36  195.714  231.775   4.5321  242.194   6.3633 -10.41824 7.812241 
1 1 1  -17   13    8 o  234.259   3.8854  3481.88  108.585  3467.47  132.396  3511.50  189.787  233.576   4.4634  234.941   6.3610 -1.365097 7.770785 
1 1 1  -17   13    9 o  168.549   4.4071  1823.17   90.213  1863.49  112.895  1751.94  150.049  171.199   5.1927  165.899   7.1222 5.300034 8.814205 
1 1 1  -17   13   10 o   65.901   8.8842  291.922   70.097  318.420   89.458  249.776  112.823   70.633   9.9732   61.169   14.705 9.463879 17.76832 
1 1 1  -17   13   11 o  177.262   4.6562  1999.06  104.070  2332.27  150.410  1693.03  144.145  191.452   6.1864  163.072   6.9605 28.37947 9.312380 
1 1 1  -17   13   12 o  313.362   4.0469  6369.42  151.683  6634.12  187.717  5871.44  257.474  323.035   4.5759  303.689   6.6761 19.34647 8.093803 
1 1 1  -17   13   13 o  158.006   4.5820  1596.94   89.767  1625.22  115.669  1554.10  142.340  159.821   5.6991  156.191   7.1762 3.629913 9.163910 
1 1 1  -17   13   14 o  193.397   4.2168  2343.90  101.338  2213.52  129.001  2554.04  163.770  186.521   5.4461  200.274   6.4392 -13.75311 8.433514 
1 1 1  -17   13   15 o  183.605   4.3413  2113.55   99.192  1991.84  126.601  2307.06  159.631  176.905   5.6353  190.305   6.6052 -13.40039 8.682511 
1 1 1  -17   13   16 o  273.800   4.0471  4777.69  133.582  4788.24  164.890  4757.56  227.857  274.356   4.7326  273.243   6.5665 1.112793 8.094254 
1 1 1  -17   13   17 o  119.233   6.0714  902.986   91.145  866.778  120.247  951.881  139.733  116.484   8.1289  121.983   9.0203 -5.499329 12.14272 
1 1 1  -17   13   18 f  242.356   4.2183  3727.80  125.628  3683.14  158.327  3803.72  206.419  240.512   5.1837  244.200   6.6562 -3.687714 8.436576 
1 1 1  -17   13   19 o   89.628   8.6161  522.519   96.157  540.679  125.621  496.824  149.430   91.682   10.790   87.575   13.436 4.106773 17.23220 
1 1 1  -17   13   20 o  519.823   5.9051 17553.57  383.376 19140.37  513.683 15558.38  576.006  547.203   7.3921  492.444   9.2107 54.75906 11.81019 
1 1 1  -17   13   21 o   64.477   12.478  273.998  106.337  199.630  140.994  372.100  161.938   55.318   17.729   73.636   17.563 -18.31802 24.95577 
1 1 1  -17   13   22 o  225.247   4.8021  3164.84  134.508  2881.74  170.730  3628.10  218.403  212.393   6.3298  238.100   7.2231 -25.70622 9.604115 
1 1 1  -17   13   23 o  119.425   7.6874  925.075  116.565  903.469  164.755  946.730  164.941  118.001   10.995  120.850   10.747 -2.849625 15.37488 
1 1 1  -17   13   24 o   50.862   12.752  152.176  104.493  213.761  154.878  100.721  141.569   56.509   18.616   45.216   17.433 11.29335 25.50411 
1 1 1  -17   13   25 o   56.648   14.508  214.409  130.845   23.120  289.155  263.663  146.727   52.346   22.894   60.949   17.827 -8.603722 29.01601 
1 1 1  -17   13   26 o  114.497   11.523  946.946  146.000  847.174  262.286  991.740  175.745  106.839   20.068  122.156   11.329 -15.31669 23.04537 
1 1 1  -17   13   27 o  252.827   9.1178  4173.40  241.889  8243.79  389.879  1626.11  308.426  354.289   8.6655  151.366   16.045 202.9221 18.23563 
1 1 1  -17   13   28 o   40.262   18.646 -78.7571  226.081 -78.7571  226.081   0.0000   0.0000   40.262   18.646  ?   ?       ?      ? 
1 1 1  -17   15    1 o  281.775   3.9755  4989.52  130.340  4900.20  155.095  5204.27  240.486  277.638   4.3989  285.911   6.6234 -8.272766 7.951058 
1 1 1  -17   15    2 o   88.978   8.1496  504.721   92.087  504.721   92.087   0.0000   0.0000   88.978   8.1496  ?   ?       ?      ? 
1 1 1  -17   15    3 o  155.639   4.7055  1564.36   85.192  1599.02  102.390  1486.41  153.577  158.567   5.0847  152.710   7.9191 5.856079 9.411029 
1 1 1  -17   15    4 o   44.712   10.717  105.468   69.649   74.159   84.785  170.445  122.141   37.597   13.693   51.826   16.490 -14.22892 21.43387 
1 1 1  -17   15    5 o  157.875   4.4997  1564.97   84.665  1525.55  102.629  1648.98  149.798  154.870   5.2183  160.880   7.3321 -6.009933 8.999425 
1 1 1  -17   15    6 o  234.992   4.0687  3473.63  115.565  3386.53  142.139  3643.49  198.496  230.768   4.8502  239.216   6.5341 -8.447861 8.137488 
1 1 1  -17   15    7 o  140.055   8.4697  1251.43  150.641   0.0000   0.0000  1251.43  150.641  ?   ?   140.055   8.4697      ?      ? 
1 1 1  -17   15    8 o  332.893   4.2723  7068.09  173.117  7103.51  216.271  7004.93  288.826  334.176   5.0962  331.609   6.8585 2.566620 8.544624 
1 1 1  -17   15    9 o  434.342   4.0136 12006.32  221.311 12012.97  317.063 12000.00  309.052  434.447   5.7469  434.237   5.6044 0.2094116 8.027186 
1 1 1  -17   15   10 o   55.890   8.9933  223.524   65.999   96.723  103.466  310.514   85.697   42.096   15.157   69.683   9.6842 -27.58691 17.98664 
1 1 1  -17   15   11 o  221.204   3.5533  3098.49   99.123  3233.99  150.581  2994.87  131.675  225.430   5.2599  216.978   4.7787 8.451981 7.106552 
1 1 1  -17   15   12 o   84.924   6.8610  463.329   73.611  442.807  108.316  480.941  100.343   83.130   10.260   86.719   9.1117 -3.588699 13.72209 
1 1 1  -17   15   13 o   96.370   6.3404  593.123   77.002  602.505  116.716  585.893  102.465   97.001   9.4749   95.738   8.4278 1.262604 12.68079 
1 1 1  -17   15   14 o  152.585   4.4455  1483.70   84.965  1488.00  131.541  1480.63  111.298  152.725   6.7823  152.447   5.7490 0.2780914 8.891036 
1 1 1  -17   15   15 o   93.737   6.9643  580.592   80.326  471.365  121.962  664.268  106.748   85.571   11.223  101.902   8.2490 -16.33131 13.92867 
1 1 1  -17   15   16 o  148.682   7.3059  1412.40  137.945  1412.40  137.945   0.0000   0.0000  148.682   7.3059  ?   ?       ?      ? 
1 1 1  -17   15   17 o  322.396   4.0456  6454.12  163.002  7626.55  260.402  5698.74  209.017  345.791   5.9300  299.001   5.5047 46.78928 8.091103 
1 1 1  -17   15   18 o  126.973   6.1853  1087.70   92.924  868.060  153.614  1214.45  116.696  116.066   10.422  137.881   6.6646 -21.81441 12.37068 
1 1 1  -17   15   19 o   42.365   11.383   87.626   81.909   83.812  138.324   89.686  101.646   43.927   17.149   40.804   14.973 3.122326 22.76556 
1 1 1  -17   15   20 o  211.736   5.0144  2899.25  133.437  3282.39  185.479  2488.22  192.113  226.536   6.4473  196.936   7.6816 29.59973 10.02872 
1 1 1  -17   15   21 o   75.994   10.646  410.886  102.053  647.107  144.409  175.219  144.240   99.611   11.416   52.377   17.973 47.23381 21.29180 
1 1 1  -17   15   22 o   56.507   13.730  198.150  115.733  277.372  193.521  154.041  144.402   63.044   20.811   49.969   17.915 13.07459 27.46026 
1 1 1  -17   15   23 o   61.631   13.975  188.141  117.159  491.708  235.079   87.823  135.138   80.349   22.268   42.913   16.892 37.43655 27.94971 
1 1 1  -17   15   24 o   37.633   11.876 -65.2181  125.096   64.569  156.076 -298.3872  209.197   42.505   17.628   32.762   15.918 9.742363 23.75135 
1 1 1  -17   15   25 o   36.785   12.055 -170.0417  135.962 -326.0548  178.004   48.447  210.651   28.249   13.921   45.322   19.686 -17.07302 24.11080 
1 1 1  -17   17    1 o  139.723   5.6784  1242.23   89.987  1236.20  105.602  1258.22  171.952  139.296   5.9697  140.150   9.6613 -0.8537445 11.35690 
1 1 1  -17   17    2 o  187.832   4.7286  2204.39  103.379  2139.50  122.738  2362.79  191.776  183.321   5.2722  192.343   7.8513 -9.021912 9.457190 
1 1 1  -17   17    3 o  301.045   4.2838  5817.19  149.946  5882.12  179.637  5668.00  272.295  304.051   4.6523  298.040   7.1943 6.010986 8.567500 
1 1 1  -17   17    4 o  256.475   4.3451  4183.98  132.762  4168.96  161.702  4215.04  232.556  255.931   4.9753  257.020   7.1250 -1.088760 8.690147 
1 1 1  -17   17    5 o  104.599   6.8601  652.558   87.174  544.758  106.029  877.436  153.140   92.254   9.0503  116.943   10.312 -24.68900 13.72015 
1 1 1  -17   17    6 o  126.827   4.7708  1032.62   76.288  954.349  112.042  1100.27  104.164  122.276   7.2154  131.378   6.2433 -9.101768 9.541552 
1 1 1  -17   17    7 o  222.536   3.5618  3149.71  100.508  3206.22  146.733  3099.75  137.951  224.401   5.1490  220.670   4.9227 3.731171 7.123603 
1 1 1  -17   17    8 o  121.106   4.8684  920.760   74.115  1127.29  112.514  762.453   98.506  132.926   6.6653  109.285   7.0978 23.64117 9.736770 
1 1 1  -17   17    9 o  130.695   4.8361  1083.96   79.667  1139.57  121.471  1041.98  105.534  133.587   7.1603  127.802   6.5024 5.784309 9.672214 
1 1 1  -17   17   10 o  106.842   6.2820  731.676   85.109  726.283  123.517  736.550  117.437  106.439   9.1379  107.245   8.6228 -0.8056641 12.56399 
1 1 1  -17   17   12 o  213.222   4.4242  2904.21  119.580  3111.58  169.408  2698.27  168.819  220.852   6.0402  205.592   6.4660 15.26019 8.848382 
1 1 1  -17   17   13 o  289.221   5.4938  5332.81  201.780  5332.81  201.780   0.0000   0.0000  289.221   5.4938  ?   ?       ?      ? 
1 1 1  -17   17   14 o  163.602   4.5881  1710.71   95.256  1675.76  136.417  1743.96  133.069  161.948   6.6331  165.255   6.3408 -3.306793 9.176238 
1 1 1  -17   17   15 f  265.245   3.7636  4487.59  126.280  4479.79  186.913  4494.13  171.281  264.982   5.5545  265.509   5.0799 -0.5272827 7.527138 
1 1 1  -17   17   16 o  118.757   5.9949  906.898   90.205  905.075  131.993  908.494  123.563  118.595   8.7641  118.920   8.1819 -0.3252335 11.98971 
1 1 1  -17   17   17 o   62.476   9.5306  237.652   83.186  494.536  128.928   54.442  108.881   87.085   11.658   37.867   15.080 49.21753 19.06121 
1 1 1  -17   17   18 o   37.590   10.758   36.210   84.810 -72.4111  138.709  101.060  107.178   33.023   15.037   42.157   15.389 -9.133652 21.51568 
1 1 1  -17   17   19 o  108.680   8.7060  754.146  116.245  891.952  196.129  679.521  144.328  115.672   13.352  101.688   11.176 13.98441 17.41206 
1 1 1  -17   17   20 o  118.330   8.5610  919.589  127.061  1020.16  199.225  850.635  164.967  123.416   12.711  113.244   11.471 10.17223 17.12204 
1 1 1  -17   17   21 o  ?   ?  -760.8295  112.456 -808.2625  144.661 -688.3868  178.776  ?   ?   ?   ?       ?      ? 
1 1 1  -17   17   22 o   49.401   11.448 -133.5192  129.111 -603.4117  173.091  455.830  193.848   22.530   11.445   76.273   19.829 -53.74246 22.89507 
1 1 1  -17   17   23 o   36.785   17.423 -153.5441  216.966 -153.5441  216.966   0.0000   0.0000   36.785   17.423  ?   ?       ?      ? 
1 1 1  -17   19    1 o   38.678   11.679   12.187   95.643   22.774  115.036 -11.5158  172.126   36.203   15.084   41.153   17.835 -4.950562 23.35808 
1 1 1  -17   19    2 o  239.112   4.8050  3695.84  138.556  3794.12  172.256  3515.71  233.205  243.920   5.5610  234.304   7.8376 9.615845 9.609981 
1 1 1  -17   19    3 o  215.719   4.7325  2985.75  125.105  3021.87  158.016  2925.08  204.796  217.656   5.7168  213.781   7.5435 3.874939 9.465006 
1 1 1  -17   19    4 o   89.579   6.8018  509.586   76.817  573.221  117.581  462.200  101.464   94.372   9.8111   84.786   9.4234 9.586067 13.60360 
1 1 1  -17   19    5 o  173.381   4.2498  1914.58   93.366  1977.90  137.502  1860.42  127.179  176.013   6.1516  170.748   5.8652 5.265182 8.499563 
1 1 1  -17   19    6 o  128.646   5.5005  1067.84   88.783  1005.13  134.097  1116.79  118.467  125.159   8.4368  132.134   7.0600 -6.975403 11.00108 
1 1 1  -17   19    7 o  129.109   5.4180  1069.39   88.256  1054.83  132.059  1081.14  118.642  128.245   8.1087  129.973   7.1880 -1.728500 10.83594 
1 1 1  -17   19    8 f   95.021   7.3095  583.044   88.194  589.973  125.873  576.362  123.610   95.571   10.371   94.472   10.303 1.098404 14.61907 
1 1 1  -17   19    9 o   88.720   8.0050  510.379   89.362  513.104  135.964  508.307  118.569   88.801   12.057   88.639   10.533 0.1621780 16.00991 
1 1 1  -17   19   10 o  205.977   4.3157  2709.97  112.394  2737.60  167.316  2687.26  151.724  206.871   6.3689  205.084   5.8256 1.786911 8.631374 
1 1 1  -17   19   11 o   71.322   10.167  346.643   88.408  348.711  132.947  345.003  118.374   71.284   15.153   71.359   13.558 -0.7596588E-01 20.33317 
1 1 1  -17   19   12 f   49.201   10.443  133.611   87.403 -46.8528  126.903  296.467  120.553   32.818   14.714   65.583   14.823 -32.76522 20.88582 
1 1 1  -17   19   13 o  113.079   6.3633  836.952   90.322  736.250  132.415  924.575  123.517  106.446   9.7956  119.712   8.1248 -13.26630 12.72658 
1 1 1  -17   19   14 o  208.092   4.1899  2770.29  110.590  2657.19  151.925  2897.76  161.291  203.600   5.8759  212.584   5.9745 -8.983200 8.379797 
1 1 1  -17   19   15 o   99.720   7.1889  632.546   89.623  804.161  140.860  515.820  116.170  110.792   10.012   88.648   10.319 22.14382 14.37773 
1 1 1  -17   19   16 f  173.898   6.4203  1977.85  141.238  1757.79  196.811  2211.52  202.806  163.704   9.4670  184.092   8.6750 -20.38872 12.84056 
1 1 1  -17   19   17 o  161.204   7.0801  1690.38  143.408  1399.34  190.194  2073.86  218.323  145.201   10.315  177.208   9.7015 -32.00754 14.16013 
1 1 1  -17   19   18 o   81.744   8.8640  499.412  129.676 -353.5813  192.903  1202.68  175.157   29.287   14.445  134.201   10.278 -104.9134 17.72803 
1 1 1  -17   19   19 o   28.123   9.8491 -339.2767  127.013 -339.1516  200.435 -339.3607  164.186   30.138   14.837   26.107   12.957 4.030708 19.69818 
1 1 1  -17   19   20 f   42.816   12.082   78.319  114.870 -155.5537  194.975  202.651  142.161   34.254   16.308   51.378   17.831 -17.12383 24.16360 
1 1 1  -17   21    1 o  170.840   5.8284  1888.47  117.149  1886.25  141.336  1893.35  209.403  171.307   6.4968  170.374   9.6784 0.9332275 11.65675 
1 1 1  -17   21    2 o  214.238   4.9315  3000.28  126.539  3098.39  156.535  2815.28  214.958  219.898   5.6055  208.579   8.1153 11.31856 9.863041 
1 1 1  -17   21    3 o  185.353   5.5603  2257.21  125.313  2358.52  158.244  2086.83  205.210  191.543   6.5055  179.163   9.0193 12.37970 11.12067 
1 1 1  -17   21    4 o  121.935   5.9142  973.675   89.881  905.823  138.243  1023.36  118.298  117.945   9.2297  125.925   7.3975 -7.980003 11.82838 
1 1 1  -17   21    5 o  210.921   6.0663  2856.87  162.488  2856.87  162.488   0.0000   0.0000  210.921   6.0663  ?   ?       ?      ? 
1 1 1  -17   21    6 o  143.847   5.3015  1333.53   96.373  1378.05  144.517  1297.88  129.329  145.897   7.8000  141.797   7.1821 4.100296 10.60292 
1 1 1  -17   21    7 o   90.946   7.6529  548.386   86.867  532.168  134.622  559.956  113.706   89.443   11.852   92.449   9.6851 -3.006294 15.30586 
1 1 1  -17   21    8 o  141.700   5.7276  1304.17  102.911  1322.55  150.148  1287.89  141.328  142.562   8.2935  140.838   7.9019 1.723175 11.45521 
1 1 1  -17   21    9 o   93.819   8.6698  587.381  102.395  622.258  157.073  561.606  135.030   95.951   12.891   91.686   11.597 4.265610 17.33957 
1 1 1  -17   21   10 o  ?   ?  -917.3442  110.730 -909.8810  157.662 -924.6090  155.552  ?   ?   ?   ?       ?      ? 
1 1 1  -17   21   12 o  106.041   11.392  909.496  127.232  560.522  219.007  1087.28  156.317   84.116   20.654  127.965   9.6191 -43.84909 22.78381 
1 1 1  -17   21   13 o   56.891   14.623  239.291  136.421  309.766  207.684  185.804  180.929   61.978   21.549   51.803   19.773 10.17458 29.24605 
1 1 1  -17   21   14 o   48.254   13.639  145.976  127.561  101.034  193.839  180.305  169.414   46.092   19.416   50.416   19.160 -4.324005 27.27794 
1 1 1  -17   21   15 o  107.835   9.6161  830.829  131.299  906.182  187.276  757.984  184.133  113.132   13.035  102.538   14.141 10.59467 19.23214 
1 1 1  -17   21   16 o   34.417   11.217 -97.7295  118.770   51.940  170.430 -239.0440  165.605   40.534   17.656   28.300   13.840 12.23370 22.43426 
1 1 1  -17   23    1 o   46.983   12.605  107.846  102.802   21.339  125.015  288.503  180.662   35.059   15.197   58.906   20.116 -23.84659 25.21069 
1 1 1  -17   23    2 o   48.284   12.971  153.007   99.504  130.679  115.824  215.918  194.417   43.530   15.982   53.039   20.435 -9.509705 25.94192 
1 1 1  -17   23    3 o  127.887   7.7167  1123.82  121.891  1128.34  156.013  1116.72  195.284  129.386   9.4950  126.389   12.167 2.997002 15.43338 
1 1 1  -17   23    4 o  169.481   6.0751  1903.94  127.173  1860.65  161.444  1974.71  206.438  167.880   7.5726  171.082   9.5018 -3.201614 12.15028 
1 1 1  -17   23    5 o   36.807   10.921   48.044   88.569 -33.9044  147.546   94.207  110.740   34.120   15.525   39.495   15.365 -5.375233 21.84258 
1 1 1  -17   23    6 o   79.622   10.238  490.681   96.830  358.279  148.522  588.564  127.701   66.890   17.340   92.354   10.888 -25.46420 20.47553 
1 1 1  -17   23    7 o  104.682   7.6472  748.430  100.299  815.114  157.407  702.849  130.139  108.021   11.475  101.343   10.112 6.678574 15.29439 
1 1 1  -17   23    8 o   40.344   12.338   29.004  105.660  176.032  199.156 -28.5903  124.648   49.180   20.103   31.508   14.311 17.67241 24.67599 
1 1 1  -16    0    1 f  593.984   4.8936 22418.75  521.873 22418.75  521.873 22418.75  521.873  593.984   6.9206  593.984   6.9206 -0.000000 0.000000 
1 1 1  -16    0    2 o  648.195   5.2872 26698.89  615.308 26698.89  615.308 26698.89  615.308  648.195   7.4772  648.195   7.4772 -0.000000 0.000000 
1 1 1  -16    0    3 o   90.298   3.6559  522.897   58.843  522.897   58.843  522.897   58.843   90.298   5.1702   90.298   5.1702 -0.000000 0.000000 
1 1 1  -16    0    4 o  664.674   5.4112 28073.92  645.752 28073.92  645.752 28073.92  645.752  664.674   7.6526  664.674   7.6526 -0.000000 0.000000 
1 1 1  -16    0    6 o  244.026   2.9078  3784.74  127.353  3784.74  127.353  3784.74  127.353  244.026   4.1122  244.026   4.1122 -0.000000 0.000000 
1 1 1  -16    0    7 o   74.993   4.9346  366.388   65.138  366.388   65.138  366.388   65.138   74.993   6.9786   74.993   6.9786 -0.000000 0.000000 
1 1 1  -16    0    8 o   27.659   10.447   69.520   70.770   69.520   70.770   69.520   70.770   27.659   14.774   27.659   14.774 -0.000000 0.000000 
1 1 1  -16    0    9 o  356.984   4.8419  8102.84  310.171  8102.84  310.171  8102.84  310.171  356.984   6.8476  356.984   6.8476 -0.000000 0.000000 
1 1 1  -16    0   10 o   41.654   11.954  153.606   87.633  153.606   87.633  153.606   87.633   41.654   16.906   41.654   16.906 -0.000000 0.000000 
1 1 1  -16    0   12 o  188.468   3.9302  2261.63  132.767  2261.63  132.767  2261.63  132.767  188.468   5.5582  188.468   5.5582 -0.000000 0.000000 
1 1 1  -16    0   13 o  337.194   3.9786  7226.62  240.785  7226.62  240.785  7226.62  240.785  337.194   5.6266  337.194   5.6266 -0.000000 0.000000 
1 1 1  -16    0   14 o  268.287   4.2632  4577.98  205.178  4577.98  205.178  4577.98  205.178  268.287   6.0290  268.287   6.0290 -0.000000 0.000000 
1 1 1  -16    0   15 o   99.358   10.814  670.385  179.364  670.385  179.364  670.385  179.364   99.358   15.293   99.358   15.293 -0.000000 0.000000 
1 1 1  -16    0   16 f  428.888   4.9441 11691.80  380.596 11691.80  380.596 11691.80  380.596  428.888   6.9920  428.888   6.9920 -0.000000 0.000000 
1 1 1  -16    0   17 o  189.624   6.1814  2298.53  209.492  2298.53  209.492  2298.53  209.492  189.624   8.7419  189.624   8.7419 -0.000000 0.000000 
1 1 1  -16    0   18 o   46.095   12.975  186.637  103.823  186.637  103.823  186.637  103.823   46.095   18.349   46.095   18.349 -0.000000 0.000000 
1 1 1  -16    0   19 o   69.392   9.5504  338.662  106.086  338.662  106.086  338.662  106.086   69.392   13.506   69.392   13.506 -0.000000 0.000000 
1 1 1  -16    0   20 o   21.557   10.104 -27.3194  103.101 -27.3194  103.101 -27.3194  103.101   21.557   14.289   21.557   14.289 -0.000000 0.000000 
1 1 1  -16    0   21 o  104.805   6.1375  712.814  113.700  712.814  113.700  712.814  113.700  104.805   8.6798  104.805   8.6798 -0.000000 0.000000 
1 1 1  -16    0   22 o  251.178   3.8001  4014.44  171.248  4014.44  171.248  4014.44  171.248  251.178   5.3742  251.178   5.3742 -0.000000 0.000000 
1 1 1  -16    0   23 o  105.913   6.9344  732.346  129.303  732.346  129.303  732.346  129.303  105.913   9.8068  105.913   9.8068 -0.000000 0.000000 
1 1 1  -16    0   24 f   41.107   14.062  159.682  120.983  159.682  120.983  159.682  120.983   41.107   19.887   41.107   19.887 -0.000000 0.000000 
1 1 1  -16    0   25 o   33.433   13.118   98.746  116.008   98.746  116.008   98.746  116.008   33.433   18.552   33.433   18.552 -0.000000 0.000000 
1 1 1  -16    0   26 o   62.583   13.832  315.237  136.366  315.237  136.366  315.237  136.366   62.583   19.561   62.583   19.561 -0.000000 0.000000 
1 1 1  -16    0   27 o  185.513   5.0692  2201.12  168.318  2201.12  168.318  2201.12  168.318  185.513   7.1689  185.513   7.1689 -0.000000 0.000000 
1 1 1  -16    0   29 o   35.624   14.960   94.582  166.774   94.582  166.774   94.582  166.774   35.624   21.157   35.624   21.157 -0.000000 0.000000 
1 1 1  -16    0   30 o   54.163   16.726  277.055  169.211  277.055  169.211  277.055  169.211   54.163   23.654   54.163   23.654 -0.000000 0.000000 
1 1 1  -16    0   31 o   20.237   10.256 -270.2181  174.824 -270.2181  174.824 -270.2181  174.824   20.237   14.504   20.237   14.504 -0.000000 0.000000 
1 1 1  -16    0   32 o   26.206   12.395 -42.9569  161.337 -42.9569  161.337 -42.9569  161.337   26.206   17.530   26.206   17.530 -0.000000 0.000000 
1 1 1  -16    0   33 o  222.698   4.4996  3184.75  179.632  3184.75  179.632  3184.75  179.632  222.698   6.3634  222.698   6.3634 -0.000000 0.000000 
1 1 1  -16    0   34 o  114.945   7.9135  892.258  159.806  892.258  159.806  892.258  159.806  114.945   11.191  114.945   11.191 -0.000000 0.000000 
1 1 1  -16    0   35 o   22.423   11.056 -115.9855  161.334 -115.9855  161.334 -115.9855  161.334   22.423   15.636   22.423   15.636 -0.000000 0.000000 
1 1 1  -16    2    1 o  1099.66   8.6389 76862.70  1205.57 78690.52  1744.62 75192.21  1667.84  1112.14   12.353  1087.19   12.080 24.95532 17.27773 
1 1 1  -16    2    2 o  738.573   5.9461 34659.15  557.602 35131.95  797.729 34207.46  779.716  743.493   8.4489  733.652   8.3689 9.841309 11.89212 
1 1 1  -16    2    3 o  533.770   4.4910 18099.27  304.407 18021.84  428.013 18178.51  433.023  532.616   6.3280  534.924   6.3744 -2.308167 8.982021 
1 1 1  -16    2    4 o  275.794   2.9916  4828.28  104.734  5032.71  149.828  4632.94  146.461  281.500   4.1912  270.088   4.2701 11.41275 5.983293 
1 1 1  -16    2    5 o  459.212   4.0176 13314.21  233.447 14349.47  348.737 12473.63  314.238  475.286   5.7778  443.139   5.5840 32.14761 8.035167 
1 1 1  -16    2    6 o  432.976   3.8645 11892.09  212.271 11580.19  292.333 12239.97  308.732  426.980   5.3913  438.971   5.5382 -11.99091 7.729001 
1 1 1  -16    2    7 o  280.465   4.3624  4995.76  155.375  4995.76  155.375   0.0000   0.0000  280.465   4.3624  ?   ?       ?      ? 
1 1 1  -16    2    8 o  830.273   6.6622 43689.21  700.829 42070.21  952.931 45596.53  1034.31  813.586   9.2232  846.961   9.6163 -33.37555 13.32443 
1 1 1  -16    2    9 o  710.223   11.534 32076.05  1040.28 32076.05  1040.28   0.0000   0.0000  710.223   11.534  ?   ?       ?      ? 
1 1 1  -16    2   10 o  490.456   5.3393 15098.28  310.800 15800.45  553.573 14775.06  375.582  498.630   8.7422  482.282   6.1323 16.34830 10.67853 
1 1 1  -16    2   11 o  530.934   4.6532 17856.14  312.994 17210.33  425.428 18618.18  462.127  520.504   6.4361  541.364   6.7219 -20.85999 9.306350 
1 1 1  -16    2   12 o  440.943   4.3058 12323.84  240.372 12031.56  325.767 12673.16  356.133  435.221   5.8941  446.664   6.2785 -11.44305 8.611607 
1 1 1  -16    2   13 o  338.982   4.0071  7302.65  172.385  7579.73  243.118  7022.49  244.466  345.455   5.5418  332.510   5.7894 12.94513 8.014286 
1 1 1  -16    2   14 o  414.084   6.3704 10891.33  334.989 10891.33  334.989   0.0000   0.0000  414.084   6.3704  ?   ?       ?      ? 
1 1 1  -16    2   15 o  418.760   5.2909 10937.19  271.910 10393.94  339.287 11912.51  454.615  404.513   6.6048  433.008   8.2674 -28.49530 10.58175 
1 1 1  -16    2   16 o  194.200   5.6722  2393.59  122.967  2390.80  143.068  2401.50  240.576  194.012   5.8068  194.388   9.7455 -0.3767090 11.34434 
1 1 1  -16    2   17 o  192.172   5.2779  2250.97  113.963  2149.80  131.762  2551.38  227.049  183.973   5.6398  200.371   8.9229 -16.39835 10.55581 
1 1 1  -16    2   18 o  194.748   5.1106  2318.67  114.952  2200.64  135.087  2628.43  218.852  186.129   5.7151  203.368   8.4740 -17.23906 10.22114 
1 1 1  -16    2   19 o  124.730   6.9480  1004.93   99.976  1027.12  119.432  952.956  182.752  127.118   7.3984  122.342   11.763 4.775284 13.89595 
1 1 1  -16    2   20 o  316.908   4.6574  6433.75  171.258  6504.79  204.820  6268.68  312.220  319.932   5.0412  313.883   7.8327 6.048828 9.314832 
1 1 1  -16    2   21 o  166.896   4.4154  1768.28   93.094  1805.04  139.589  1738.83  124.935  168.441   6.5257  165.350   5.9498 3.091141 8.830879 
1 1 1  -16    2   22 o  294.992   5.5104  5534.23  206.429  5534.23  206.429   0.0000   0.0000  294.992   5.5104  ?   ?       ?      ? 
1 1 1  -16    2   23 o  166.253   4.5703  1796.22   93.842  1576.32  145.592  1952.51  122.741  157.309   7.2880  175.196   5.5168 -17.88710 9.140551 
1 1 1  -16    2   24 o   42.721   11.085   93.632   80.397   41.942  125.958  129.170  104.439   39.505   16.049   45.937   15.295 -6.431419 22.16968 
1 1 1  -16    2   25 o   70.337   10.251  308.639   91.139  519.848  142.940  163.956  118.306   89.911   12.519   50.764   16.237 39.14759 20.50260 
1 1 1  -16    2   26 f  116.211   6.4906  858.396   95.307  924.470  143.809  806.646  127.270  120.145   9.4255  112.278   8.9259 7.867561 12.98121 
1 1 1  -16    2   27 o   45.040   11.882   81.225   95.804  178.836  142.504   0.7232  129.414   53.426   17.867   36.654   15.669 16.77251 23.76439 
1 1 1  -16    2   28 o   49.779   11.807   8.5182  122.276  344.324  173.766 -320.8584  172.095   70.776   18.954   28.782   14.083 41.99329 23.61349 
1 1 1  -16    2   29 o  265.203   4.7346  4501.75  159.059  4393.13  231.625  4598.67  218.809  262.102   6.9589  268.304   6.4218 -6.202179 9.469199 
1 1 1  -16    2   30 o   50.195   12.576  112.453  117.633 -86.5223  175.719  274.035  158.349   37.401   16.989   62.989   18.547 -25.58787 25.15172 
1 1 1  -16    2   31 o   53.274   12.904  184.720  108.523  108.368  167.429  240.040  142.514   47.837   18.811   58.711   17.670 -10.87453 25.80809 
1 1 1  -16    2   32 o   37.266   11.735 -30.8100  111.966 -60.1192  169.503  -8.1217  149.134   37.060   16.775   37.472   16.414 -0.4123993 23.46936 
1 1 1  -16    2   34 f   36.873   11.467 -11.8764  107.741   79.231  152.469 -102.7445  152.268   41.864   17.397   31.883   14.943 9.980911 22.93366 
1 1 1  -16    2   35 o   64.035   11.441  324.764  118.727   45.054  172.433  576.907  163.716   40.014   17.585   88.055   14.641 -48.04041 22.88213 
1 1 1  -16    4    1 o  242.437   2.9049  3721.26   89.235  3570.63  121.368  3898.51  131.653  237.114   4.0306  247.760   4.1843 -10.64584 5.809824 
1 1 1  -16    4    2 o  719.211   5.8235 32847.38  531.635 33616.83  766.234 32133.13  738.239  727.323   8.2958  711.099   8.1750 16.22314 11.64692 
1 1 1  -16    4    3 o  600.943   4.9829 22942.99  380.247 22862.68  534.374 23025.35  541.191  599.880   7.0146  602.007   7.0790 -2.127136 9.965788 
1 1 1  -16    4    4 o  333.714   3.3230  7072.18  140.733  7049.11  195.353  7097.08  202.916  333.150   4.6175  334.278   4.7800 -1.128601 6.646027 
1 1 1  -16    4    5 o  237.126   3.0978  3577.72   93.089  3703.59  129.016  3441.04  134.446  241.487   4.2070  232.766   4.5483 8.720718 6.195645 
1 1 1  -16    4    6 o  386.775   4.3209  9563.96  203.273  9720.99  254.439  9286.91  337.970  391.216   5.1214  382.334   6.9608 8.882416 8.641827 
1 1 1  -16    4    7 o  608.406   6.1805 23552.30  454.587 23430.07  770.728 23617.51  562.929  607.114   9.9966  609.698   7.2705 -2.583984 12.36090 
1 1 1  -16    4    8 o  204.877   3.3768  2611.63   86.950  2264.71  113.725  3099.78  134.901  188.833   4.7424  220.921   4.8084 -32.08714 6.753619 
1 1 1  -16    4    9 o  973.461   7.7469 60249.86  957.685 60395.23  1353.16 60103.97  1355.59  974.640   10.933  972.282   10.979 2.358215 15.49384 
1 1 1  -16    4   10 o  240.743   3.7924  3683.51  115.835  3501.34  163.848  3865.53  163.784  234.787   5.4953  246.700   5.2279 -11.91238 7.584766 
1 1 1  -16    4   11 o  569.662   5.5720 20184.25  345.081 19793.30  394.423 21460.09  712.527  558.237   5.5637  581.087   9.6557 -22.84991 11.14393 
1 1 1  -16    4   12 o  275.955   4.0890  4836.04  143.297  4836.04  143.297   0.0000   0.0000  275.955   4.0890  ?   ?       ?      ? 
1 1 1  -16    4   13 o   88.656   8.5239  553.024   83.641  645.016  104.130  385.756  140.414  100.759   8.1380   76.553   14.980 24.20657 17.04774 
1 1 1  -16    4   14 o  219.037   4.8770  3088.63  132.882  3808.42  188.098  2371.52  187.749  244.865   6.0489  193.208   7.6520 51.65710 9.754096 
1 1 1  -16    4   15 o   99.744   9.2645  620.153  109.467  598.992  131.695  667.454  196.899   97.073   10.683  102.414   15.139 -5.341095 18.52902 
1 1 1  -16    4   16 o  435.526   4.8432 11909.21  241.340 11730.58  283.996 12373.50  457.858  429.760   5.2036  441.292   8.1701 -11.53162 9.686498 
1 1 1  -16    4   17 o  252.636   4.3427  3942.41  131.907  3725.38  160.306  4397.42  232.120  242.183   5.2123  263.090   6.9475 -20.90697 8.685410 
1 1 1  -16    4   18 o  182.487   4.8820  2135.09  108.846  2188.22  137.348  2045.40  178.469  185.587   5.8277  179.387   7.8342 6.200226 9.764041 
1 1 1  -16    4   19 o  276.155   4.3702  4929.91  145.878  5133.70  182.531  4569.64  242.693  284.238   5.0568  268.072   7.1290 16.16635 8.740383 
1 1 1  -16    4   20 o  152.365   5.6793  1471.71  105.016  1456.58  130.223  1499.85  177.596  151.310   6.7771  153.420   9.1153 -2.110031 11.35859 
1 1 1  -16    4   21 o  232.713   4.4657  3426.82  128.815  3362.04  164.377  3529.91  207.366  229.925   5.6296  235.500   6.9338 -5.574722 8.931359 
1 1 1  -16    4   22 o  144.382   6.1415  1344.91  108.498  1391.38  137.594  1268.53  176.422  147.805   7.3305  140.958   9.8557 6.847870 12.28291 
1 1 1  -16    4   23 o   68.540   9.4047  308.453   77.951  303.081  126.014  311.783   99.211   67.291   15.116   69.788   11.194 -2.497047 18.80940 
1 1 1  -16    4   24 o   43.478   10.575   89.620   85.443 -112.5791  145.050  197.063  105.735   32.567   15.031   54.389   14.878 -21.82168 21.14901 
1 1 1  -16    4   25 o  142.929   5.4022  1305.34   92.560  1299.47  159.653  1308.31  113.601  142.564   8.8184  143.294   6.2427 -0.7299652 10.80442 
1 1 1  -16    4   26 o   41.035   11.198   53.622   91.122 -77.1557  143.760  141.451  117.812   34.015   15.418   48.054   16.245 -14.03969 22.39664 
1 1 1  -16    4   27 o  146.928   9.3666  1384.90  174.768   0.0000   0.0000  1384.90  174.768  ?   ?   146.928   9.3666      ?      ? 
1 1 1  -16    4   28 o   31.532   10.363 -128.8400  100.151 -71.7518  148.403 -176.5845  135.716   34.821   15.735   28.243   13.490 6.577574 20.72602 
1 1 1  -16    4   29 o   99.233   8.9001  624.688  109.953  725.064  178.026  562.786  139.806  105.365   13.305   93.100   11.825 12.26480 17.80018 
1 1 1  -16    4   30 o  144.519   7.1310  1380.37  123.558  1268.91  208.012  1441.14  153.589  139.391   11.751  149.647   8.0819 -10.25610 14.26194 
1 1 1  -16    4   31 o  122.329   7.8406  980.291  118.898  994.979  190.326  970.891  152.265  122.641   12.220  122.016   9.8266 0.6251068 15.68118 
1 1 1  -16    4   32 o   48.606   12.529  145.892  104.139   73.776  152.557  208.818  142.505   42.960   17.581   54.253   17.856 -11.29286 25.05872 
1 1 1  -16    4   33 o   29.404   9.9019 -160.1250  103.204 -89.7962  143.991 -234.4193  147.995   31.815   14.785   26.993   13.176 4.821732 19.80384 
1 1 1  -16    4   34 o   37.998   11.681   29.090  105.467   2.3064  148.488   56.358  149.827   36.291   16.116   39.704   16.913 -3.413136 23.36187 
1 1 1  -16    6    1 o  678.949   5.5666 29243.16  479.313 28443.50  657.698 30148.95  699.980  669.074   7.7406  688.825   8.0020 -19.75104 11.13324 
1 1 1  -16    6    2 o  290.350   3.2540  5335.71  119.591  5139.67  161.594  5573.11  177.824  284.476   4.4730  296.225   4.7271 -11.74875 6.507915 
1 1 1  -16    6    3 o  582.411   6.1498 21672.60  425.120 21888.14  517.705 21226.33  744.920  586.969   6.9453  577.853   10.151 9.116211 12.29968 
1 1 1  -16    6    4 o  404.551   4.4892 10414.90  220.145 10458.60  273.548 10334.57  370.878  405.785   5.3084  403.318   7.2411 2.466980 8.978452 
1 1 1  -16    6    5 o  581.426   5.9066 21392.25  409.004 21226.23  497.421 21738.78  718.650  578.034   6.7763  584.818   9.6765 -6.784241 11.81327 
1 1 1  -16    6    6 o  792.051   7.7919 39605.60  731.661 39112.99  885.146 40668.28  1300.06  784.513   8.8846  799.589   12.803 -15.07642 15.58387 
1 1 1  -16    6    7 o  339.821   4.0178  7187.90  160.960  6952.59  192.884  7727.60  292.113  330.865   4.5906  348.777   6.5952 -17.91229 8.035517 
1 1 1  -16    6    8 o  737.912   6.9434 34016.04  553.950 33494.36  632.155 35741.83  1149.78  726.119   6.8555  749.705   12.077 -23.58661 13.88678 
1 1 1  -16    6    9 o  410.904   4.3846 10464.68  198.424 10213.76  227.984 11248.43  402.930  401.030   4.4766  420.778   7.5405 -19.74765 8.769211 
1 1 1  -16    6   10 f  419.555   5.3916 11179.97  287.266 11179.97  287.266   0.0000   0.0000  419.555   5.3916  ?   ?       ?      ? 
1 1 1  -16    6   11 o  431.071   5.0617 11619.81  266.533 11160.08  331.064 12466.71  449.339  419.166   6.2194  442.976   7.9876 -23.81015 10.12337 
1 1 1  -16    6   12 o  139.199   5.6128  1285.82   93.218  1422.31  117.453  1053.52  153.227  149.640   6.1807  128.758   9.3710 20.88179 11.22569 
1 1 1  -16    6   13 o  583.585   7.0888 21635.20  525.357 21635.20  525.357   0.0000   0.0000  583.585   7.0888  ?   ?       ?      ? 
1 1 1  -16    6   14 f  756.000   7.0603 36924.52  608.311 37718.30  720.686 34957.71  1134.42  770.529   7.3651  741.471   12.048 29.05750 14.12061 
1 1 1  -16    6   15 o  643.611   6.2653 25818.13  441.961 25339.20  507.223 27328.33  900.695  631.584   6.3240  655.638   10.818 -24.05481 12.53059 
1 1 1  -16    6   16 o  306.291   4.1098  5934.45  149.209  5890.43  180.693  6028.80  264.546  304.537   4.6722  308.046   6.7625 -3.509247 8.219577 
1 1 1  -16    6   17 o  488.719   5.0618 15359.30  286.704 15626.90  343.171 14740.84  521.702  495.951   5.4487  481.486   8.5322 14.46484 10.12358 
1 1 1  -16    6   18 o  305.329   4.1521  5882.47  152.647  5791.71  187.361  6061.67  263.253  301.902   4.8869  308.756   6.7140 -6.853271 8.304194 
1 1 1  -16    6   19 o  195.524   4.6032  2390.93  112.464  2218.67  144.555  2655.07  179.007  186.775   6.0945  204.273   6.9005 -17.49789 9.206495 
1 1 1  -16    6   20 o  189.143   4.7178  2271.94  112.255  2243.19  148.460  2310.33  171.534  187.775   6.2258  190.510   7.0901 -2.735062 9.435564 
1 1 1  -16    6   21 o  224.099   4.5022  3202.68  126.970  3246.99  169.239  3145.62  192.039  225.912   5.8991  222.286   6.8030 3.626450 9.004419 
1 1 1  -16    6   22 o  247.546   4.5642  3926.44  141.233  4054.44  185.841  3751.46  217.294  252.416   5.7976  242.675   7.0509 9.741257 9.128387 
1 1 1  -16    6   23 o  142.667   6.1238  1300.48  110.578  1310.67  150.698  1288.60  162.761  143.307   8.2806  142.027   9.0240 1.279129 12.24752 
1 1 1  -16    6   24 o   90.138   9.8751  524.808  109.396  431.142  146.590  642.542  164.348   80.409   14.904   99.866   12.959 -19.45703 19.75027 
1 1 1  -16    6   25 o   40.721   11.108   66.144   86.330 -81.4095  158.189  128.730  103.025   35.822   16.211   45.620   15.191 -9.798168 22.21589 
1 1 1  -16    6   26 o   30.727   9.9998 -128.3018   92.558 -19.4130  136.444 -221.1230  125.976   36.261   15.796   25.193   12.266 11.06840 19.99950 
1 1 1  -16    6   27 o  120.829   7.1263  990.235  103.271  673.452  154.206  1247.84  139.059  102.037   11.901  139.621   7.8428 -37.58397 14.25251 
1 1 1  -16    6   28 o   85.851   9.8809  489.152   99.892  488.484  168.640  489.513  123.984   84.734   16.263   86.968   11.226 -2.233620 19.76170 
1 1 1  -16    6   29 o  138.591   6.8343  1267.73  113.160  1159.80  191.658  1325.49  140.207  133.515   11.304  143.666   7.6849 -10.15092 13.66856 
1 1 1  -16    6   30 o   37.724   11.861 -27.4472  103.946 -18.3495  193.869 -31.1177  123.142   42.362   18.631   33.086   14.685 9.276646 23.72288 
1 1 1  -16    6   31 o   33.727   11.032 -94.9441  105.616 -63.6422  178.101 -111.9225  131.169   37.813   17.148   29.642   13.885 8.170950 22.06459 
1 1 1  -16    6   32 o   54.009   18.477  211.194  152.435   0.0000   0.0000  211.194  152.435  ?   ?    54.009   18.477      ?      ? 
1 1 1  -16    6   33 o   48.473   11.391   90.338  104.765  358.148  156.678 -126.2386  140.896   67.424   17.972   29.523   14.000 37.90038 22.78114 
1 1 1  -16    6   34 o   34.866   15.779 -16.2268  149.918   0.0000   0.0000 -16.2268  149.918  ?   ?    34.866   15.779      ?      ? 
1 1 1  -16    8    1 o  427.411   4.4473 11590.41  210.126 11576.48  243.198 11631.42  417.349  426.945   4.4855  427.877   7.6807 -0.9318542 8.894564 
1 1 1  -16    8    2 o  1140.67   10.311 83409.44  1309.31 84095.49  1524.85 81484.16  2554.45  1150.23   10.439  1131.10   17.783 19.12598 20.62106 
1 1 1  -16    8    3 o  208.672   3.8189  2671.29   98.319  2397.83  122.796  3159.70  164.110  194.305   4.9765  223.038   5.7940 -28.73311 7.637756 
1 1 1  -16    8    4 o  833.673   7.6868 44351.60  711.089 44535.34  825.786 43824.54  1398.61  837.252   7.7667  830.094   13.268 7.157471 15.37364 
1 1 1  -16    8    5 o  992.161   8.9862 63572.60  1006.53 64774.23  1184.79 60456.10  1908.06  1009.62   9.2408  974.704   15.415 34.91394 17.97249 
1 1 1  -16    8    6 o  686.080   6.5109 29452.62  485.536 29036.32  555.591 30798.17  998.860  676.108   6.4709  696.053   11.300 -19.94489 13.02173 
1 1 1  -16    8    7 o  593.987   5.7600 22482.62  383.695 22558.93  448.076 22272.84  742.947  595.963   5.9205  592.011   9.8821 3.952026 11.51991 
1 1 1  -16    8    8 o  978.293   8.9748 60754.42  967.178 60649.42  1117.33 61068.23  1931.60  976.966   9.0059  979.621   15.527 -2.655090 17.94955 
1 1 1  -16    8    9 o  410.907   4.9502 10700.03  252.661 10604.06  324.402 10848.01  402.835  408.588   6.2520  413.225   7.6765 -4.636414 9.900315 
1 1 1  -16    8   10 o  681.497   6.8440 29741.24  564.457 30280.08  702.634 28760.68  947.846  690.360   8.0145  672.633   11.096 17.72681 13.68803 
1 1 1  -16    8   11 o  436.590   5.1745 12147.46  282.571 12337.91  370.512 11882.70  436.867  440.713   6.6202  432.466   7.9546 8.246643 10.34903 
1 1 1  -16    8   12 o  296.449   4.1076  5551.27  144.074  5498.19  174.102  5666.59  256.622  294.231   4.6595  298.667   6.7659 -4.436066 8.215155 
1 1 1  -16    8   13 o  271.808   4.0610  4652.06  131.524  4577.22  159.713  4809.75  231.835  268.457   4.6848  275.159   6.6347 -6.701721 8.121919 
1 1 1  -16    8   14 o  304.902   4.0225  5821.87  146.018  5672.00  176.785  6143.61  259.024  298.836   4.6584  310.968   6.5591 -12.13223 8.045051 
1 1 1  -16    8   15 o  195.613   4.2116  2479.28  101.560  2665.48  131.865  2207.79  159.227  204.837   5.0693  186.389   6.7270 18.44835 8.423164 
1 1 1  -16    8   16 o  201.095   4.1733  2574.95  104.246  2592.70  134.381  2548.11  165.197  201.989   5.2388  200.201   6.4977 1.787918 8.346554 
1 1 1  -16    8   17 o  200.652   4.3190  2601.51  106.878  2754.64  138.136  2373.13  168.700  208.168   5.2253  193.137   6.8782 15.03177 8.637915 
1 1 1  -16    8   18 o   94.830   7.2780  589.073   85.173  715.055  117.204  448.082  123.989  105.927   8.7127   83.733   11.660 22.19444 14.55591 
1 1 1  -16    8   19 o  286.648   4.0911  5217.01  144.093  5188.72  181.843  5264.76  236.220  285.670   5.0125  287.627   6.4671 -1.957275 8.182215 
1 1 1  -16    8   20 o  132.307   5.8121  1117.80   97.496  1159.71  135.827  1073.25  140.030  134.888   7.9293  129.726   8.4999 5.162064 11.62424 
1 1 1  -16    8   21 o  293.167   4.3177  5547.12  155.706  5804.50  199.663  5147.64  248.741  302.069   5.2049  284.266   6.8904 17.80280 8.635345 
1 1 1  -16    8   22 o   85.012   9.3435  471.349   97.955  403.970  135.926  544.150  141.289   77.977   14.252   92.047   12.087 -14.06985 18.68699 
1 1 1  -16    8   23 o   58.348   12.263  225.483   98.806  178.468  142.782  268.687  136.872   53.568   17.885   63.128   16.784 -9.559444 24.52685 
1 1 1  -16    8   24 o   38.983   11.770   0.5562  103.499   27.037  145.946 -26.2349  146.797   40.669   16.971   37.298   16.312 3.371140 23.53949 
1 1 1  -16    8   25 o   99.477   15.106 -144.9114  115.021 -595.7287  144.147  645.200  190.831  ?   ?    99.477   15.106      ?      ? 
1 1 1  -16    8   26 o   30.640   9.9702 -113.8791   85.813 -16.9436  143.615 -167.7068  107.019   37.298   16.228   23.981   11.588 13.31743 19.94032 
1 1 1  -16    8   27 o   63.700   12.169  249.492   93.530  365.196  176.496  204.313  110.289   72.505   18.955   54.894   15.266 17.61131 24.33854 
1 1 1  -16    8   28 o   66.920   11.917  327.521   98.914  240.051  175.342  368.349  119.795   59.945   19.811   73.895   13.253 -13.95052 23.83477 
1 1 1  -16    8   29 o   92.135   10.363  610.467  101.706  502.946  191.556  652.677  120.021   84.021   18.457  100.250   9.4275 -16.22890 20.72560 
1 1 1  -16    8   30 o   82.186   10.892  412.446  105.981  698.639  191.784  286.630  127.160  101.057   14.944   63.315   15.851 37.74170 21.78486 
1 1 1  -16    8   31 o  151.332   8.2591  1499.34  158.724   0.0000   0.0000  1499.34  158.724  ?   ?   151.332   8.2591      ?      ? 
1 1 1  -16    8   32 o   47.892   17.641  161.042  141.284   0.0000   0.0000  161.042  141.284  ?   ?    47.892   17.641      ?      ? 
1 1 1  -16   10    1 o  700.284   11.497 31176.77  1022.44   0.0000   0.0000 31176.77  1022.44  ?   ?   700.284   11.497      ?      ? 
1 1 1  -16   10    2 o  1176.89   11.559 84001.49  1536.39 79467.01  1778.70 97326.34  3049.08  1117.90   12.529  1235.89   19.427 -117.9891 23.11711 
1 1 1  -16   10    3 o  764.196   12.406 37135.12  1203.94   0.0000   0.0000 37135.12  1203.94  ?   ?   764.196   12.406      ?      ? 
1 1 1  -16   10    4 o  338.573   4.2114  7137.65  163.238  6957.74  191.717  7611.88  311.270  330.992   4.5611  346.153   7.0810 -15.16132 8.422777 
1 1 1  -16   10    5 o  579.771   6.0111 21011.89  409.389 20471.14  489.884 22263.92  745.419  567.677   6.7954  591.865   9.9174 -24.18823 12.02219 
1 1 1  -16   10    6 o  737.319   6.9724 34383.36  568.178 34212.04  656.945 34891.95  1131.88  733.859   7.0492  740.779   12.032 -6.920349 13.94477 
1 1 1  -16   10    7 o  984.659   9.0102 61998.36  989.480 62372.21  1152.80 60952.25  1928.41  990.704   9.1629  978.615   15.517 12.08936 18.02048 
1 1 1  -16   10    8 o  183.195   4.2550  2198.94   91.943  2328.77  112.909  1943.41  158.404  191.488   4.6431  174.902   7.1317 16.58543 8.509992 
1 1 1  -16   10    9 o  144.912   4.7539  1331.94   84.580  1325.88  106.633  1342.23  138.889  144.477   5.8118  145.347   7.5246 -0.8699646 9.507705 
1 1 1  -16   10   10 o  971.214   8.9198 60062.57  961.168 60122.09  1115.30 59890.79  1894.90  972.597   9.0298  969.832   15.386 2.765198 17.83964 
1 1 1  -16   10   11 o  337.491   4.1168  7250.68  165.299  7278.64  201.415  7192.99  289.300  338.519   4.6852  336.464   6.7707 2.055267 8.233681 
1 1 1  -16   10   12 o  127.943   5.1232  1051.04   81.335  1094.68  105.667  987.589  127.409  131.251   6.3396  124.636   8.0497 6.614784 10.24635 
1 1 1  -16   10   13 o  198.025   4.0935  2413.72   99.532  2207.45  123.591  2794.37  167.894  186.384   5.2216  209.667   6.3056 -23.28313 8.186901 
1 1 1  -16   10   14 o   63.960   9.7696  270.268   76.041  264.905   98.873  278.034  118.970   63.283   12.744   64.637   14.811 -1.353779 19.53913 
1 1 1  -16   10   15 o  167.500   4.4770  1796.41   92.419  1835.19  117.995  1734.87  148.650  169.892   5.4691  165.107   7.0896 4.784851 8.953942 
1 1 1  -16   10   16 o  166.321   4.4501  1750.89   92.917  1702.74  121.741  1818.08  143.808  163.617   5.8591  169.024   6.6997 -5.406891 8.900280 
1 1 1  -16   10   17 o  279.179   3.9870  4932.44  134.335  4877.85  165.478  5037.96  230.052  276.998   4.7042  281.359   6.4385 -4.360535 7.973983 
1 1 1  -16   10   18 o  139.406   5.2169  1232.16   90.895  1205.65  117.894  1271.02  142.728  137.604   6.7466  141.207   7.9593 -3.603531 10.43389 
1 1 1  -16   10   19 o   61.151   10.630  254.238   85.395  352.778  118.394  147.380  123.289   73.007   13.258   49.295   16.619 23.71140 21.25928 
1 1 1  -16   10   20 o   26.320   8.9321 -175.3675   86.386 -165.8316  121.934 -184.9770  122.404   26.653   12.746   25.988   12.517 0.6652184 17.86426 
1 1 1  -16   10   21 o   96.992   7.8512  605.657   96.032  620.604  129.385  587.324  143.297   98.397   10.354   95.587   11.805 2.809311 15.70243 
1 1 1  -16   10   22 o  143.458   5.8306  1313.24  106.001  1277.89  144.549  1354.36  155.911  141.397   8.0500  145.519   8.4368 -4.121933 11.66117 
1 1 1  -16   10   23 o   57.746   12.392  188.968  102.171   92.247  129.362  349.341  166.577   44.007   16.738   71.485   18.278 -27.47846 24.78399 
1 1 1  -16   10   24 o   50.087   11.068   25.657  121.897  359.065  156.878 -482.3517  193.647   72.431   17.294   27.744   13.819 44.68737 22.13682 
1 1 1  -16   10   25 o  176.717   5.6988  2009.40  127.047  2082.85  172.067  1921.35  188.384  180.389   7.5112  173.044   8.5725 7.344086 11.39765 
1 1 1  -16   10   26 o   88.475   10.845  523.432  118.505  447.692  163.488  607.282  172.020   80.782   16.494   96.168   14.085 -15.38594 21.69027 
1 1 1  -16   10   27 o   98.747   9.4635  644.349  118.378  667.525  163.836  619.034  171.232  100.765   12.803   96.730   13.939 4.034821 18.92709 
1 1 1  -16   10   28 o  128.342   6.9751  1032.26  100.609  1168.51  199.599  985.851  116.490  133.044   11.814  123.641   7.4191 9.403229 13.95011 
1 1 1  -16   10   29 o   47.518   13.660  119.450  115.100 -418.6892  383.787  172.636  120.654   45.093   21.827   49.943   16.430 -4.850250 27.31972 
1 1 1  -16   10   30 f  ?   ?  -671.8026  134.483   0.0000   0.0000 -671.8026  134.483  ?   ?   ?   ?       ?      ? 
1 1 1  -16   12    1 f  392.417   4.4253  9805.57  197.559  9833.50  232.646  9733.36  374.093  393.471   4.6559  391.364   7.5270 2.106934 8.850600 
1 1 1  -16   12    2 o  648.721   6.2703 26234.78  441.453 25771.77  504.382 27750.73  912.662  636.909   6.2360  660.533   10.880 -23.62463 12.54060 
1 1 1  -16   12    3 o  459.158   5.8000 13396.71  338.129 13246.62  472.668 13554.03  483.904  456.527   8.1529  461.788   8.2516 -5.261292 11.59995 
1 1 1  -16   12    4 o  402.059   4.4415 10230.56  204.150 10179.16  240.686 10362.38  385.429  400.319   4.7344  403.798   7.5163 -3.479248 8.883074 
1 1 1  -16   12    5 o  253.760   3.9160  4106.66  116.424  4132.03  140.085  4050.00  209.346  255.058   4.3249  252.462   6.5297 2.595764 7.832079 
1 1 1  -16   12    6 o  116.096   5.3360  888.485   74.435  971.955   94.080  748.783  121.713  123.680   5.9899  108.512   8.8324 15.16771 10.67194 
1 1 1  -16   12    7 o  312.411   4.1063  6185.33  154.361  6150.05  189.765  6254.33  265.383  311.136   4.8027  313.686   6.6619 -2.549866 8.212653 
1 1 1  -16   12    8 o  133.309   4.8741  1140.42   79.357  1170.01  100.124  1090.44  130.147  135.681   5.8109  130.937   7.8270 4.744507 9.748239 
1 1 1  -16   12    9 o   50.886   10.078  174.450   69.055  211.841   89.312  118.868  108.891   56.499   12.750   45.274   15.611 11.22504 20.15656 
1 1 1  -16   12   10 o  243.924   3.9655  3722.92  118.031  3576.61  146.413  3994.51  199.473  237.225   4.8601  250.624   6.2673 -13.39915 7.930934 
1 1 1  -16   12   11 f  163.634   3.7102  1707.55   76.478  1658.15  114.801  1746.96  102.546  161.486   5.5980  165.782   4.8708 -4.296707 7.420428 
1 1 1  -16   12   12 o  368.380   3.6299  8561.33  168.866  9238.75  255.703  8037.38  224.879  381.191   5.2822  355.570   4.9802 25.62051 7.259767 
1 1 1  -16   12   13 o  179.505   3.4882  2041.11   78.918  2107.35  119.983  1990.60  104.771  182.051   5.1898  176.960   4.6622 5.091232 6.976373 
1 1 1  -16   12   14 o  124.404   6.3365  984.897  100.106  984.897  100.106   0.0000   0.0000  124.404   6.3365  ?   ?       ?      ? 
1 1 1  -16   12   15 o   89.890   5.8487  506.781   65.330  554.999  105.661  476.940   83.123   93.264   8.9212   86.516   7.5656 6.747948 11.69731 
1 1 1  -16   12   16 o  224.695   3.3561  3188.98   94.899  3365.67  145.852  3059.26  124.971  230.038   4.9927  219.352   4.4863 10.68590 6.712218 
1 1 1  -16   12   17 o  158.425   4.0976  1588.61   81.230  1649.02  127.211  1547.02  105.551  160.923   6.2248  155.926   5.3305 4.996979 8.195295 
1 1 1  -16   12   18 o  127.859   5.8505  1046.86   94.222  1068.74  126.239  1019.35  141.575  129.421   7.6809  126.297   8.8271 3.123734 11.70096 
1 1 1  -16   12   19 o   43.037   10.823   70.461   84.740 -48.6382  119.083  192.641  120.613   31.974   14.300   54.100   16.249 -22.12630 21.64543 
1 1 1  -16   12   20 o  139.184   5.5289  1235.93   97.098  1220.15  129.781  1256.00  146.342  138.223   7.3935  140.144   8.2227 -1.920837 11.05790 
1 1 1  -16   12   21 o   61.974   10.284  117.088  105.547 -119.8306  129.885  577.712  181.106   29.803   13.914   94.145   15.148 -64.34173 20.56836 
1 1 1  -16   12   22 o   82.053   12.288  463.072  123.679  499.737  167.866  419.538  182.917   86.055   15.948   78.052   18.700 8.002426 24.57666 
1 1 1  -16   12   23 o   55.547   12.803  197.238  103.641  167.717  139.721  233.353  154.538   51.905   17.690   59.189   18.512 -7.283646 25.60527 
1 1 1  -16   12   24 o   73.638   12.457  374.712  116.357  472.310  167.578  283.855  161.687   83.070   16.467   64.207   18.695 18.86285 24.91309 
1 1 1  -16   12   25 f  147.465   6.6542  1406.07  124.610  1415.00  176.202  1397.13  176.249  147.943   9.3786  146.988   9.4421 0.9549866 13.30832 
1 1 1  -16   12   26 o  135.482   10.975  1176.39  147.071  1346.65  347.027  1139.11  162.374  138.654   19.708  132.309   9.6638 6.345474 21.95022 
1 1 1  -16   12   27 o   65.388   17.541  274.524  163.818  328.393  411.605  264.384  178.570   70.252   28.829   60.525   19.992 9.727139 35.08236 
1 1 1  -16   12   28 o  246.570   7.7953  4069.56  243.907  4265.93  346.464  3876.62  343.429  252.728   10.795  240.412   11.249 12.31592 15.59061 
1 1 1  -16   14    1 o  350.364   4.2590  7927.34  172.889  8108.10  207.206  7513.11  313.667  357.167   4.5683  343.562   7.1893 13.60504 8.517935 
1 1 1  -16   14    2 o  531.308   5.3663 17960.39  321.381 17945.43  376.055 18000.90  618.916  531.231   5.5743  531.385   9.1716 -0.1540527 10.73270 
1 1 1  -16   14    3 f  196.127   4.6089  2444.91  114.791  2444.91  114.791   0.0000   0.0000  196.127   4.6089  ?   ?       ?      ? 
1 1 1  -16   14    4 o  266.979   4.0173  4575.73  129.897  4680.23  162.054  4387.91  217.255  271.349   4.7028  262.609   6.5145 8.739349 8.034616 
1 1 1  -16   14    5 o  183.124   4.2703  2135.80   94.136  2141.55  116.029  2124.74  161.024  183.537   4.9781  182.710   6.9398 0.8269348 8.540664 
1 1 1  -16   14    6 o  286.250   3.2989  5209.75  119.870  5163.51  171.596  5253.83  167.521  285.004   4.7411  287.497   4.5884 -2.492157 6.597827 
1 1 1  -16   14    7 o  241.094   3.2367  3687.10   98.962  3838.00  144.683  3554.44  135.660  245.717   4.6366  236.472   4.5174 9.244507 6.473474 
1 1 1  -16   14    8 o  253.914   3.2331  4098.73  104.111  4092.04  151.135  4104.78  143.622  253.709   4.6908  254.119   4.4505 -0.4096985 6.466130 
1 1 1  -16   14    9 o  231.745   3.3584  3393.06   98.346  3621.66  148.263  3213.45  131.418  238.663   4.8918  224.828   4.6029 13.83470 6.716871 
1 1 1  -16   14   10 o  483.583   4.2916 14860.70  263.240 15296.11  383.619 14473.24  361.886  490.251   6.1617  476.915   5.9752 13.33652 8.583125 
1 1 1  -16   14   11 f  138.328   4.1251  1216.36   72.206  1232.33  107.027  1203.02   97.822  139.149   6.0567  137.507   5.6019 1.641739 8.250154 
1 1 1  -16   14   12 o  441.747   4.0576 12419.31  227.609 12315.43  322.796 12522.04  320.988  439.903   5.7782  443.591   5.6981 -3.688629 8.115156 
1 1 1  -16   14   13 o  141.286   5.7056  1270.52  102.371   0.0000   0.0000  1270.52  102.371  ?   ?   141.286   5.7056      ?      ? 
1 1 1  -16   14   14 o  235.475   3.5057  3540.54  104.362  3361.11  152.604  3698.18  143.040  229.824   5.2287  241.125   4.6713 -11.30180 7.011429 
1 1 1  -16   14   15 o  155.831   4.1872  1545.49   81.679  1553.48  126.805  1539.82  106.782  156.136   6.3952  155.527   5.4065 0.6087189 8.374312 
1 1 1  -16   14   16 o  130.186   4.7086  1071.18   76.487  1131.14  121.332  1031.64   98.531  133.137   7.1763  127.235   6.0980 5.902428 9.417277 
1 1 1  -16   14   17 o  123.755   5.1744  959.160   80.317  1099.08  126.272  864.089  104.087  131.163   7.5809  116.348   7.0447 14.81541 10.34875 
1 1 1  -16   14   18 o  127.652   5.6573  1053.94   90.638  900.224  131.131  1194.56  125.422  118.553   8.7099  136.751   7.2221 -18.19771 11.31464 
1 1 1  -16   14   20 o   78.907   8.6358  392.808   84.207  449.040  139.269  360.404  105.722   83.108   13.196   74.706   11.144 8.402527 17.27168 
1 1 1  -16   14   21 o  183.850   4.3959  2145.30   99.685  2216.39  162.694  2102.57  126.135  186.149   6.8823  181.550   5.4709 4.599136 8.791879 
1 1 1  -16   14   22 f   42.609   11.327   94.833   82.997   44.676  140.663  121.621  102.799   40.861   16.820   44.357   15.174 -3.496063 22.65314 
1 1 1  -16   14   23 o   45.116   12.123  101.203   96.481  141.726  141.908   66.371  131.567   48.897   17.729   41.336   16.539 7.561043 24.24592 
1 1 1  -16   14   24 o   51.271   14.522   10.085  125.210  347.346  277.636 -76.0229  140.286   69.680   24.856   32.862   15.024 36.81799 29.04409 
1 1 1  -16   14   25 o  106.980   12.288  948.852  143.816  394.920  224.199  1336.15  187.469   71.644   22.279  142.315   10.373 -70.67092 24.57532 
1 1 1  -16   14   26 o  173.063   11.186  2415.39  178.124  3980.09  248.616  765.056  255.329  246.884   7.9297   99.242   20.919 147.6420 22.37134 
1 1 1  -16   16    1 o  140.305   5.4534  1268.27   90.172  1291.15  109.389  1219.75  159.282  142.413   6.0484  138.196   9.0760 4.217834 10.90679 
1 1 1  -16   16    2 o  245.342   4.2368  3787.14  122.452  3714.55  147.105  3950.92  220.971  241.671   4.7932  249.013   6.9877 -7.341919 8.473652 
1 1 1  -16   16    3 o   82.463   6.9897  479.390   64.717  302.348  100.937  602.978   84.333   67.640   12.200   97.287   6.8260 -29.64684 13.97946 
1 1 1  -16   16    4 o  275.572   3.3641  4827.75  117.664  4608.85  164.707  5055.90  168.151  269.189   4.8181  281.954   4.6961 -12.76520 6.728150 
1 1 1  -16   16    5 o  225.699   3.4030  3239.97   97.504  3128.58  137.256  3353.44  138.536  221.778   4.8734  229.620   4.7509 -7.841339 6.805962 
1 1 1  -16   16    6 o  309.375   3.4649  6085.73  135.920  6136.85  198.143  6040.29  186.799  310.587   5.0236  308.162   4.7733 2.424530 6.929729 
1 1 1  -16   16    7 o  271.803   3.3897  4693.07  116.832  4810.33  170.686  4589.70  160.257  274.983   4.8878  268.622   4.6978 6.361023 6.779397 
1 1 1  -16   16    8 o  114.891   4.8738  845.166   70.757  792.129  103.231  892.162   97.174  111.449   7.2938  118.332   6.4665 -6.883064 9.747556 
1 1 1  -16   16    9 o  100.716   10.827  650.615  138.474   0.0000   0.0000  650.615  138.474  ?   ?   100.716   10.827      ?      ? 
1 1 1  -16   16   10 o  128.529   4.6660  1054.16   75.313  1046.18  115.193  1060.11   99.533  128.065   7.0830  128.993   6.0761 -0.9281769 9.332078 
1 1 1  -16   16   11 o  214.387   3.6391  2931.45   98.779  2845.67  144.167  3007.35  135.614  211.400   5.3701  217.373   4.9127 -5.972565 7.278259 
1 1 1  -16   16   12 o   64.274   8.9592  272.810   70.306  314.601  105.140  239.009   94.557   68.813   12.491   59.734   12.847 9.079388 17.91846 
1 1 1  -16   16   13 o  119.188   5.2125  893.445   78.134  1008.73  121.223  811.513  102.195  125.641   7.5976  112.734   7.1384 12.90743 10.42495 
1 1 1  -16   16   14 o   70.695   9.8176  349.091   87.884  130.992  123.989  569.294  124.586   47.296   16.638   94.094   10.426 -46.79740 19.63527 
1 1 1  -16   16   16 o  160.218   4.6848  1649.85   94.407  1553.81  141.228  1727.44  126.935  155.902   7.1333  164.535   6.0750 -8.632874 9.369634 
1 1 1  -16   16   17 o  231.318   3.9080  3406.70  114.227  3470.82  170.962  3355.00  153.525  233.234   5.7720  229.402   5.2699 3.832565 7.815914 
1 1 1  -16   16   18 o   99.107   6.7798  621.855   83.897  693.248  133.923  575.739  107.635  103.612   10.178   94.602   8.9594 9.010834 13.55964 
1 1 1  -16   16   19 o  110.037   6.4831  770.878   89.064  835.943  141.643  728.332  114.540  113.701   9.8097  106.373   8.4790 7.327614 12.96626 
1 1 1  -16   16   20 o   65.352   10.535  275.898   83.301  383.008  140.501  217.839  103.442   74.491   15.363   56.214   14.420 18.27708 21.07008 
1 1 1  -16   16   21 o  105.882   9.2817  764.088  118.458  678.813  194.418  814.437  149.390  100.211   15.277  111.552   10.546 -11.34029 18.56333 
1 1 1  -16   16   22 o   38.631   12.040 -16.2441  115.738 -148.8713  202.987   47.642  140.882   37.062   17.333   40.199   16.716 -3.136089 24.08000 
1 1 1  -16   16   23 o  121.146   9.0435  554.387  138.615 -175.0833  158.031  2987.78  288.632   30.485   14.560  211.807   10.731 -181.3218 18.08701 
1 1 1  -16   16   24 o   40.094   18.129 -33.2796  197.389 -33.2796  197.389   0.0000   0.0000   40.094   18.129  ?   ?       ?      ? 
1 1 1  -16   18    1 o   77.103   9.7984  404.746   89.533  440.880  113.869  346.229  144.908   82.784   10.831   71.423   16.332 11.36050 19.59689 
1 1 1  -16   18    2 o  169.271   4.0037  1828.14   85.764  1797.23  126.086  1854.75  117.001  167.911   5.9130  170.632   5.3995 -2.721069 8.007384 
1 1 1  -16   18    3 o   60.438   9.7620  252.600   74.293  182.373  117.362  299.559   95.970   52.661   16.076   68.216   11.078 -15.55415 19.52393 
1 1 1  -16   18    4 o  111.382   5.6754  792.290   79.999  887.338  115.576  704.868  110.843  117.815   7.7248  104.949   8.3167 12.86630 11.35083 
1 1 1  -16   18    5 o  106.375   8.2634  724.159  111.629   0.0000   0.0000  724.159  111.629  ?   ?   106.375   8.2634      ?      ? 
1 1 1  -16   18    6 o   41.898   10.329   62.279   80.835  196.309  112.722 -79.6162  115.983   54.179   15.562   29.616   13.585 24.56283 20.65721 
1 1 1  -16   18    7 o  271.963   5.5584  4713.91  191.971  4713.91  191.971   0.0000   0.0000  271.963   5.5584  ?   ?       ?      ? 
1 1 1  -16   18    9 o  130.045   5.8246  1085.88   95.837  1048.93  140.272  1118.22  131.245  127.910   8.6356  132.181   7.8187 -4.271576 11.64925 
1 1 1  -16   18   11 o  138.273   6.6840  1221.63  117.369   0.0000   0.0000  1221.63  117.369  ?   ?   138.273   6.6840      ?      ? 
1 1 1  -16   18   12 o  269.449   4.6222  4640.55  151.562  4643.26  189.110  4635.68  253.423  269.805   5.5193  269.094   7.4159 0.7113953 9.244400 
1 1 1  -16   18   13 o   78.633   9.0488  409.958   87.546  396.756  131.229  420.546  117.520   76.745   13.980   80.521   11.493 -3.776611 18.09755 
1 1 1  -16   18   14 o  124.299   5.8245  1000.68   91.044  926.608  135.400  1061.80  123.002  119.944   8.8892  128.654   7.5286 -8.709984 11.64893 
1 1 1  -16   18   15 o  235.116   3.8781  3537.78  115.352  3451.66  169.531  3612.01  157.407  232.378   5.7448  237.854   5.2112 -5.476242 7.756239 
1 1 1  -16   18   16 f  107.160   6.3683  741.089   86.552  786.922  126.146  700.319  118.975  110.282   9.0072  104.037   9.0051 6.244827 12.73665 
1 1 1  -16   18   17 o  219.778   3.9456  3095.41  109.364  3073.78  164.268  3112.62  146.569  218.976   5.9071  220.580   5.2324 -1.604202 7.891266 
1 1 1  -16   18   18 o  168.882   6.1198  1863.51  129.623  1797.11  197.397  1913.84  171.872  165.879   9.3707  171.885   7.8739 -6.006012 12.23956 
1 1 1  -16   18   19 o   43.265   12.905   51.498  121.939   19.763  174.308   81.913  170.647   41.489   17.964   45.042   18.532 -3.552956 25.80974 
1 1 1  -16   18   20 o  153.820   9.1759  1859.22  146.962  2660.13  194.683  798.232  224.074  202.044   7.5876  105.595   16.710 96.44855 18.35175 
1 1 1  -16   18   21 o   63.035   13.928  320.352  135.347  155.191  207.225  443.227  178.739   50.740   20.595   75.331   18.756 -24.59115 27.85602 
1 1 1  -16   20    1 o  171.528   5.8551  1875.72  119.343  1847.43  144.678  1935.97  211.115  169.883   6.7062  173.173   9.5998 -3.290955 11.71018 
1 1 1  -16   20    2 o  243.144   3.7611  3764.19  115.804  3885.68  171.391  3662.14  157.085  246.710   5.4705  239.579   5.1631 7.130936 7.522188 
1 1 1  -16   20    3 o  190.196   4.1265  2301.33   99.222  2411.48  148.811  2213.16  133.136  194.235   6.0330  186.156   5.6317 8.078903 8.253039 
1 1 1  -16   20    4 o   93.918   7.2191  573.171   84.891  556.669  130.372  585.319  111.853   92.579   11.089   95.257   9.2464 -2.677521 14.43820 
1 1 1  -16   20    5 o   54.871   9.7157  204.519   81.892   14.449  124.892  347.871  108.463   36.668   15.523   73.074   11.688 -36.40589 19.43144 
1 1 1  -16   20    6 o  126.876   5.5463  1029.81   88.621  1069.67  135.351  999.894  117.248  128.932   8.2665  124.820   7.3968 4.111237 11.09270 
1 1 1  -16   20    7 o  187.990   4.2422  2273.25  100.623  2116.16  147.625  2409.56  137.517  181.796   6.3944  194.184   5.5765 -12.38757 8.484438 
1 1 1  -16   20    8 o   54.602   10.625  184.206   81.713  329.436  126.301   79.656  107.162   69.194   14.820   40.011   15.230 29.18298 21.25077 
1 1 1  -16   20    9 o   97.705   7.1856  624.890   88.116  590.645  132.964  651.708  117.665   95.102   11.009  100.309   9.2370 -5.207291 14.37116 
1 1 1  -16   20   10 o   49.648   11.653  162.678   84.320  151.358  138.902  169.284  106.107   49.395   17.585   49.902   15.295 -0.5068626 23.30648 
1 1 1  -16   20   11 f  251.203   3.8801  4047.43  123.264  3961.24  181.706  4120.91  167.770  248.616   5.7552  253.790   5.2055 -5.174210 7.760122 
1 1 1  -16   20   12 o  126.422   5.9305  1043.92   94.533  928.537  136.110  1151.44  131.396  119.432   8.9741  133.413   7.7554 -13.98071 11.86090 
1 1 1  -16   20   13 o   34.264   10.690 -19.1328   91.230 -42.0486  132.460   1.5474  125.833   33.348   14.986   35.180   15.248 -1.832214 21.37907 
1 1 1  -16   20   14 o   30.510   10.469 -257.6124  124.206 -301.6254  164.683 -199.5453  189.157   27.543   13.538   33.477   15.972 -5.933924 20.93790 
1 1 1  -16   20   15 o  288.615   5.8825  5486.82  213.935  6136.77  299.034  4805.39  306.193  306.882   7.6731  270.349   8.9185 36.53238 11.76506 
1 1 1  -16   20   16 o   30.802   10.440 -182.8011  116.801 -223.3944  177.186 -151.6063  155.326   30.899   14.926   30.705   14.600 0.1940575 20.87969 
1 1 1  -16   20   17 o   50.061   13.348  170.317  122.381   58.328  191.685  247.376  159.006   43.704   18.881   56.419   18.874 -12.71464 26.69613 
1 1 1  -16   20   18 o   62.165   13.692  314.639  119.428  364.204  179.238  275.063  160.161   66.084   19.799   58.246   18.919 7.838440 27.38480 
1 1 1  -16   20   19 o   50.123   18.430  196.983  154.115  196.983  154.115   0.0000   0.0000   50.123   18.430  ?   ?       ?      ? 
1 1 1  -16   22    1 o  122.171   9.8889  950.966  144.533  603.093  181.539  1553.20  238.858   92.860   15.394  151.481   12.417 -58.62027 19.77775 
1 1 1  -16   22    2 o  123.793   9.4658  299.646  114.926 -750.8242  180.913  1010.39  148.810  ?   ?   123.793   9.4658      ?      ? 
1 1 1  -16   22    3 o   32.834   15.670 -191.1490  182.357 -191.1490  182.357   0.0000   0.0000   32.834   15.670  ?   ?       ?      ? 
1 1 1  -16   22    4 o  193.422   8.3336  2447.74  204.700  2447.74  204.700   0.0000   0.0000  193.422   8.3336  ?   ?       ?      ? 
1 1 1  -16   22    6 o   28.884   13.906 -190.6416  150.776   0.0000   0.0000 -190.6416  150.776  ?   ?    28.884   13.906      ?      ? 
1 1 1  -16   22    7 o  209.880   4.8545  2874.09  128.430  2738.03  190.801  2986.81  173.662  204.988   7.3295  214.772   6.3672 -9.784210 9.708909 
1 1 1  -16   22    8 o   89.552   8.2320  544.158   93.379  554.092  137.471  535.648  127.238   90.121   12.012   88.983   11.260 1.137993 16.46408 
1 1 1  -16   22    9 o  102.415   7.1251  706.283   92.049  622.087  130.945  788.531  129.421   95.984   10.743  108.847   9.3629 -12.86356 14.25028 
1 1 1  -16   22   10 o  130.491   7.2194  1132.31  111.906  1192.48  198.053  1104.09  135.631  131.697   11.842  129.285   8.2610 2.411667 14.43882 
1 1 1  -16   22   11 o   67.322   12.814  370.866  125.649  163.755  184.095  551.485  171.918   49.397   19.629   85.246   16.477 -35.84888 25.62777 
1 1 1  -16   22   12 o   56.942   14.201  265.229  128.150  310.590  187.489  225.456  175.561   60.504   20.493   53.380   19.664 7.123608 28.40143 
1 1 1  -16   22   13 o   59.195   14.255  304.187  135.229  194.396  202.663  392.302  181.557   50.858   20.464   67.533   19.852 -16.67549 28.51099 
1 1 1  -15    1    1 o  349.104   3.2661  7728.35  144.667  8029.74  210.180  7457.01  199.422  355.561   4.6548  342.647   4.5830 12.91339 6.532296 
1 1 1  -15    1    2 o  354.197   3.3072  7948.31  148.544  7603.82  203.490  8341.29  217.338  346.003   4.6311  362.391   4.7226 -16.38840 6.614388 
1 1 1  -15    1    3 o  149.291   2.8407  1414.97   53.843  1370.79   75.413  1460.91   76.900  146.914   4.0421  151.667   3.9926 -4.752625 5.681477 
1 1 1  -15    1    4 o  248.321   2.8243  3897.66   88.838  3651.09  120.558  4190.65  131.416  239.768   3.9594  256.874   4.0286 -17.10532 5.648541 
1 1 1  -15    1    5 o  406.069   3.6563 10473.82  188.544 10529.84  266.572 10417.74  266.710  407.156   5.1556  404.982   5.1859 2.173981 7.312562 
1 1 1  -15    1    6 o  722.769   5.8472 33165.81  536.320 34066.71  776.199 32342.75  741.906  732.146   8.3483  713.392   8.1892 18.75378 11.69433 
1 1 1  -15    1    7 o  439.411   3.9088 12264.20  218.105 12234.96  306.570 12294.16  310.359  438.882   5.5005  439.940   5.5551 -1.058899 7.817605 
1 1 1  -15    1    8 o  478.577   4.1837 14538.17  254.120 14247.44  352.263 14853.63  366.946  473.594   5.8571  483.560   5.9755 -9.966034 8.367325 
1 1 1  -15    1    9 o  191.401   3.2602  2323.03   79.180  2227.81  109.415  2427.73  114.728  187.289   4.6003  195.512   4.6208 -8.223007 6.520330 
1 1 1  -15    1   10 o  147.875   3.8002  1387.95   71.260  1495.40  102.223  1286.38   99.389  153.440   5.2461  142.311   5.4995 11.12891 7.600368 
1 1 1  -15    1   11 o  817.011   8.0621 42416.14  788.576 42529.84  1366.78 42359.40  965.478  817.638   13.163  816.385   9.3126 1.253418 16.12428 
1 1 1  -15    1   12 o  389.388   3.9603  9625.24  195.777  9912.88  280.635  9352.52  273.255  395.052   5.5938  383.723   5.6075 11.32852 7.920577 
1 1 1  -15    1   13 o  305.980   3.9069  5946.23  151.798  5924.68  213.087  5968.44  216.298  305.418   5.4940  306.542   5.5563 -1.124786 7.813825 
1 1 1  -15    1   14 o  345.205   4.0714  7567.62  178.424  7523.31  248.757  7614.57  256.060  344.166   5.6915  346.245   5.8235 -2.078827 8.142863 
1 1 1  -15    1   15 o  233.329   5.0431  3456.79  149.359  3614.05  213.610  3306.37  208.920  238.519   7.0521  228.138   7.2111 10.38116 10.08628 
1 1 1  -15    1   16 o  730.894   12.119 33966.40  1124.87   0.0000   0.0000 33966.40  1124.87  ?   ?   730.894   12.119      ?      ? 
1 1 1  -15    1   17 o  547.706   5.6812 18988.29  345.338 18913.33  400.254 19206.60  683.095  545.682   5.7759  549.729   9.7849 -4.047485 11.36240 
1 1 1  -15    1   18 o  226.655   5.2881  3414.76  131.985  3584.53  154.595  2958.31  253.485  237.563   5.1243  215.746   9.2519 21.81726 10.57623 
1 1 1  -15    1   19 o  113.859   5.7396  814.512   82.349  972.457  123.440  687.852  110.541  123.694   7.8583  104.024   8.3678 19.67029 11.47929 
1 1 1  -15    1   20 o  256.734   3.6516  4151.70  118.392  4532.08  179.374  3858.07  157.596  267.058   5.2890  246.410   5.0363 20.64809 7.303270 
1 1 1  -15    1   21 o  164.139   4.2884  1725.28   88.766  1558.04  128.921  1876.03  122.400  156.505   6.4866  171.773   5.6111 -15.26840 8.576781 
1 1 1  -15    1   22 o  158.409   4.5821  1596.52   91.266  1597.71  139.208  1595.63  120.866  158.437   6.9188  158.380   6.0093 0.5712891E-01 9.164143 
1 1 1  -15    1   23 o  127.530   5.2658  1039.20   84.399  1012.49  128.048  1059.72  112.227  126.045   7.9996  129.015   6.8498 -2.969460 10.53155 
1 1 1  -15    1   24 o  146.182   5.0807  1361.12   93.671  1365.05  141.065  1358.02  125.277  146.342   7.5905  146.023   6.7557 0.3196564 10.16150 
1 1 1  -15    1   25 o  122.283   6.0122  950.889   93.172  1025.58  136.956  886.535  127.123  126.735   8.5096  117.831   8.4954 8.903076 12.02438 
1 1 1  -15    1   26 o   63.421   11.788  273.777   96.859  228.553  143.067  312.046  131.607   58.810   17.705   68.033   15.570 -9.223286 23.57696 
1 1 1  -15    1   27 o   37.596   11.413  -9.2818   97.148   30.194  149.429 -38.1822  127.856   41.297   17.197   33.895   15.008 7.402508 22.82521 
1 1 1  -15    1   29 o   79.341   11.865  436.953  118.264  569.108  163.026  290.153  171.822   93.432   13.740   65.250   19.348 28.18214 23.73060 
1 1 1  -15    1   30 o  171.843   5.9398  1892.35  129.398  2002.48  189.950  1796.99  176.754  176.474   8.4758  167.212   8.3239 9.262589 11.87965 
1 1 1  -15    1   31 o   56.328   13.329  207.620  113.507  157.339  157.340  262.187  163.909   51.255   18.656   61.400   19.042 -10.14522 26.65769 
1 1 1  -15    1   32 o   40.296   12.211   17.668  112.571 -27.8963  168.224   54.616  151.486   38.667   17.163   41.925   17.375 -3.257355 24.42288 
1 1 1  -15    1   33 o  230.702   4.6049  3441.67  134.855  3446.40  193.546  3437.20  188.004  230.797   6.6035  230.607   6.4197 0.1904297 9.209760 
1 1 1  -15    1   34 o   39.214   11.841   21.876  108.935 -72.2921  153.904  116.420  154.212   33.524   15.476   44.904   17.927 -11.38065 23.68275 
1 1 1  -15    1   35 o   50.795   13.464  203.533  117.386  208.059  166.248  199.033  165.770   51.173   19.080   50.417   19.002 0.7567902 26.92824 
1 1 1  -15    3    1 o  715.114   5.7749 32499.14  524.440 32567.17  742.618 32431.46  740.725  715.860   8.1688  714.367   8.1650 1.492798 11.54978 
1 1 1  -15    3    2 o  589.448   4.8777 22074.48  365.106 21992.64  513.549 22158.13  519.173  588.344   6.8734  590.551   6.9227 -2.206848 9.755399 
1 1 1  -15    3    3 o  634.930   5.2066 25614.45  419.792 25515.03  590.211 25716.23  597.201  633.685   7.3342  636.175   7.3921 -2.489990 10.41316 
1 1 1  -15    3    4 o  733.263   8.3626 34170.51  778.715 34170.51  778.715   0.0000   0.0000  733.263   8.3626  ?   ?       ?      ? 
1 1 1  -15    3    5 o  324.723   3.2607  6694.51  134.347  6637.24  185.820  6757.24  194.466  323.270   4.5264  326.176   4.6948 -2.906006 6.521398 
1 1 1  -15    3    6 o  172.553   3.0734  1888.48   67.173  1857.50   91.430  1924.82   99.016  171.019   4.2098  174.088   4.4788 -3.069077 6.146720 
1 1 1  -15    3    7 f  579.706   4.8724 21345.43  358.653 21700.45  511.858 21003.01  502.690  584.440   6.8966  574.972   6.8846 9.467896 9.744718 
1 1 1  -15    3    8 o  355.746   3.5256  8024.27  158.958  7833.08  216.993  8245.68  233.518  351.183   4.8656  360.309   5.1035 -9.125671 7.051193 
1 1 1  -15    3    9 o  246.272   5.8606  3852.52  183.288  3852.52  183.288   0.0000   0.0000  246.272   5.8606  ?   ?       ?      ? 
1 1 1  -15    3   10 o  816.946   6.5936 42413.87  683.992 42158.63  959.253 42677.87  975.573  814.450   9.2745  819.442   9.3748 -4.991821 13.18728 
1 1 1  -15    3   11 o  558.664   4.8890 19827.79  346.761 19835.48  484.915 19819.75  496.062  558.778   6.8336  558.549   6.9935 0.2282715 9.777908 
1 1 1  -15    3   12 o  318.398   3.9129  6456.51  144.192  6481.61  171.803  6396.69  265.209  319.469   4.2347  317.328   6.5812 2.140656 7.825893 
1 1 1  -15    3   13 o  251.706   3.7818  3951.26  110.463  3849.67  130.939  4202.06  205.729  246.208   4.1878  257.204   6.2985 -10.99597 7.563680 
1 1 1  -15    3   14 o  338.659   4.3774  7250.36  171.110  7202.69  202.958  7367.52  318.172  336.767   4.7457  340.551   7.3570 -3.783936 8.754838 
1 1 1  -15    3   15 o  260.666   4.4412  4316.04  137.368  4316.35  166.820  4315.39  242.108  260.697   5.0389  260.635   7.3147 0.6146240E-01 8.882324 
1 1 1  -15    3   16 o  519.708   6.8566 17157.80  452.527 17157.80  452.527   0.0000   0.0000  519.708   6.8566  ?   ?       ?      ? 
1 1 1  -15    3   17 o  375.068   4.6165  9053.08  200.540  9227.61  240.033  8649.67  364.928  381.167   4.9588  368.969   7.7883 12.19855 9.232915 
1 1 1  -15    3   18 o  367.757   4.6149  8571.71  197.283  8541.59  235.377  8642.82  361.707  366.713   5.0543  368.801   7.7230 -2.087982 9.229886 
1 1 1  -15    3   19 f  326.064   4.4889  6774.38  170.911  6802.53  205.008  6710.21  309.485  327.231   4.9333  324.898   7.5009 2.333221 8.977845 
1 1 1  -15    3   20 f  325.757   4.4650  6852.35  173.670  7069.88  213.949  6432.10  297.370  333.535   5.0511  317.979   7.3641 15.55658 8.929973 
1 1 1  -15    3   21 o  152.764   4.6285  1491.50   86.783  1457.92  141.494  1511.75  109.877  151.339   7.3622  154.188   5.6115 -2.848923 9.256948 
1 1 1  -15    3   22 o   48.346   10.157  155.267   72.861   46.406  118.510  221.420   92.383   39.014   15.666   57.677   12.932 -18.66230 20.31414 
1 1 1  -15    3   23 o  277.901   3.8054  4940.29  133.232  4654.92  197.921  5176.77  180.166  270.485   5.7620  285.318   4.9724 -14.83261 7.610861 
1 1 1  -15    3   24 o  135.426   5.7063  1179.41   94.539  1133.24  154.600  1206.98  119.483  133.205   9.1393  137.646   6.8354 -4.441879 11.41265 
1 1 1  -15    3   25 o  247.145   4.1371  3864.16  128.061  4037.31  200.153  3744.15  166.631  251.752   6.2605  242.538   5.4100 9.213882 8.274213 
1 1 1  -15    3   26 o  143.202   5.6654  1316.46  101.612  1271.04  155.728  1350.13  134.090  140.960   8.6994  145.443   7.2599 -4.482285 11.33075 
1 1 1  -15    3   27 o   79.773   10.486  433.194  101.922  330.154  149.827  521.950  139.054   69.630   17.075   89.916   12.178 -20.28577 20.97228 
1 1 1  -15    3   28 o   35.847   11.526 -98.2098  116.203 -159.8409  167.111 -40.5089  161.695   33.400   15.654   38.295   16.921 -4.895557 23.05125 
1 1 1  -15    3   29 o   67.001   12.411  303.801  107.672  381.153  159.848  239.556  145.678   74.448   17.246   59.554   17.851 14.89477 24.82117 
1 1 1  -15    3   30 o   58.575   13.640  210.349  116.094  310.750  189.779  150.308  146.758   66.863   20.449   50.286   18.057 16.57765 27.28063 
1 1 1  -15    3   31 o   95.439   9.8868  602.624  117.966  630.646  185.304  583.528  152.967   96.936   15.053   93.942   12.822 2.994110 19.77357 
1 1 1  -15    3   32 o   41.768   12.185   57.260  104.976   31.431  145.141   85.594  152.015   39.487   16.727   44.049   17.723 -4.561546 24.36997 
1 1 1  -15    3   33 o   62.126   12.376  285.342  110.163  426.967  156.184  145.122  155.408   76.104   16.626   48.148   18.338 27.95571 24.75249 
1 1 1  -15    3   34 o   30.248   10.218 -160.5071  110.566 -209.8296  155.225 -109.7092  157.529   28.339   13.756   32.156   15.112 -3.817183 20.43515 
1 1 1  -15    3   35 o   47.739   14.501  114.408  139.576   61.929  161.651  268.152  276.684   40.119   17.335   55.359   23.252 -15.24025 29.00286 
1 1 1  -15    5    1 o  304.790   3.2028  5884.82  123.600  5715.21  167.474  6087.73  183.174  299.981   4.3962  309.599   4.6589 -9.617767 6.405628 
1 1 1  -15    5    2 o  355.523   3.4611  7965.28  155.364  7480.23  206.712  8595.02  235.535  343.184   4.7431  367.863   5.0419 -24.67871 6.922236 
1 1 1  -15    5    3 o  997.489   7.8910 63232.56  999.186 64485.03  1437.99 62063.34  1389.38  1007.02   11.245  987.955   11.074 19.06830 15.78208 
1 1 1  -15    5    4 o  211.037   3.0649  2810.03   81.841  2613.17  110.175  3052.38  122.246  202.845   4.2770  219.229   4.3910 -16.38371 6.129711 
1 1 1  -15    5    5 o  261.580   4.4154  4345.62  146.675  4345.62  146.675   0.0000   0.0000  261.580   4.4154  ?   ?       ?      ? 
1 1 1  -15    5    6 o  945.088   7.5247 56785.28  903.071 56676.42  1271.36 56896.14  1282.99  944.178   10.603  945.998   10.680 -1.819824 15.04933 
1 1 1  -15    5    7 o  130.691   3.5549  1129.76   53.620  1201.97   64.847  973.657   95.342  137.575   3.7117  123.806   6.0641 13.76966 7.109872 
1 1 1  -15    5    8 o  497.436   5.2328 15693.99  314.416 15633.66  388.332 15808.81  535.722  496.096   6.1639  498.776   8.4578 -2.679443 10.46558 
1 1 1  -15    5    9 o  1010.10   9.2280 64575.76  1020.00 64259.20  1173.59 65553.32  2062.33  1005.53   9.1906  1014.67   16.005 -9.135742 18.45608 
1 1 1  -15    5   10 o  191.714   3.5277  2374.53   79.927  2448.71   97.520  2222.73  139.504  196.363   3.9107  187.065   5.8724 9.298706 7.055433 
1 1 1  -15    5   11 o  742.578   6.9209 35265.88  575.066 35515.31  671.353 34578.57  1114.43  747.704   7.0704  737.453   11.900 10.25122 13.84184 
1 1 1  -15    5   12 o  223.105   3.7453  3144.37   99.092  3114.41  119.988  3208.64  175.730  221.452   4.2666  224.757   6.1568 -3.305389 7.490661 
1 1 1  -15    5   13 o  452.223   4.8201 12978.18  248.582 12962.10  292.875 13019.60  470.111  451.764   5.1050  452.681   8.1777 -0.9165039 9.640285 
1 1 1  -15    5   14 o  712.008   6.9677 32204.01  630.014 32204.01  630.014   0.0000   0.0000  712.008   6.9677  ?   ?       ?      ? 
1 1 1  -15    5   15 o   49.779   11.904  140.153   94.784  211.649  126.161   47.500  143.619   57.074   16.484   42.483   17.180 14.59121 23.80888 
1 1 1  -15    5   16 o  111.366   6.7533  763.414   93.948  619.120  121.519  977.799  148.121   98.696   9.6954  124.037   9.4035 -25.34055 13.50651 
1 1 1  -15    5   17 o  190.601   4.5551  2281.40  107.565  2193.02  136.568  2425.81  174.576  185.805   5.7878  195.398   7.0354 -9.593353 9.110170 
1 1 1  -15    5   18 o  149.801   5.3599  1419.50  100.005  1391.73  128.776  1461.69  158.731  147.980   6.8526  151.623   8.2437 -3.642532 10.71989 
1 1 1  -15    5   19 o   84.074   8.7572  447.958   92.358  432.031  120.577  470.567  143.663   82.306   11.536   85.842   13.179 -3.535294 17.51435 
1 1 1  -15    5   20 o  120.196   6.7367  929.890  101.376  983.115  134.982  861.026  153.537  124.226   8.5563  116.165   10.408 8.060722 13.47341 
1 1 1  -15    5   21 o  436.492   4.8975 11998.32  249.663 11803.88  298.054 12455.57  457.076  430.832   5.4476  442.151   8.1403 -11.31894 9.794954 
1 1 1  -15    5   22 o   46.198   11.409  106.386   93.705  205.298  119.232 -53.3916  151.539   55.788   15.999   36.609   16.268 19.17915 22.81726 
1 1 1  -15    5   23 o  235.081   3.7718  3518.12  111.077  3501.23  171.579  3530.30  145.738  234.558   5.7602  235.605   4.8709 -1.046707 7.543576 
1 1 1  -15    5   24 f   95.347   7.1939  559.424   81.336  644.664  147.998  522.539   97.356  100.232   11.627   90.462   8.4746 9.769585 14.38779 
1 1 1  -15    5   25 f  203.339   4.5481  2662.60  113.298  2528.64  184.055  2744.33  143.764  199.069   7.2806  207.609   5.4529 -8.539856 9.096202 
1 1 1  -15    5   26 o  100.070   8.8876  744.576   92.981  458.166  162.296  884.514  113.444   82.481   16.072  117.660   7.5924 -35.17855 17.77525 
1 1 1  -15    5   27 o  431.465   6.2010 11876.37  339.769   0.0000   0.0000 11876.37  339.769  ?   ?   431.465   6.2010      ?      ? 
1 1 1  -15    5   28 o   59.890   12.046  251.326  101.363  129.538  160.860  331.530  130.540   49.897   18.736   69.883   15.147 -19.98652 24.09249 
1 1 1  -15    5   29 o   68.893   12.795  319.255  107.968  359.070  190.577  300.435  131.023   71.652   20.118   66.135   15.814 5.516869 25.58976 
1 1 1  -15    5   30 o   53.259   13.004  170.074  103.288  234.357  174.672  135.511  128.080   59.124   19.781   47.394   16.885 11.72975 26.00787 
1 1 1  -15    5   31 o   32.989   10.788 -185.8469  104.721   32.200  174.901 -307.6979  130.747   42.918   18.277   23.060   11.464 19.85797 21.57543 
1 1 1  -15    5   32 o  ?   ?  -993.9437  106.110 -776.7015  157.566 -1174.2220  143.536  ?   ?   ?   ?       ?      ? 
1 1 1  -15    5   33 o   35.490   11.016 -61.4662  105.891   99.936  147.924 -231.1076  151.652   43.501   17.490   27.480   13.397 16.02052 22.03137 
1 1 1  -15    5   34 o   49.641   12.940  186.966  107.411  186.153  158.370  187.659  146.168   49.675   18.602   49.607   17.993 0.6797028E-01 25.88015 
1 1 1  -15    7    1 o  690.256   6.5011 29928.01  487.028 29607.78  557.371 30961.91  1001.51  682.702   6.4289  697.810   11.302 -15.10846 13.00218 
1 1 1  -15    7    2 o  392.168   4.1356  9748.00  180.491  9725.41  209.579  9812.87  355.122  391.325   4.2173  393.010   7.1153 -1.685242 8.271239 
1 1 1  -15    7    3 o  536.971   5.2457 18063.35  306.497 17828.78  350.987 18816.69  628.994  529.813   5.2166  544.129   9.1026 -14.31586 10.49148 
1 1 1  -15    7    4 o  714.815   6.7186 32459.91  609.887 32459.91  609.887   0.0000   0.0000  714.815   6.7186  ?   ?       ?      ? 
1 1 1  -15    7    5 o  525.759   5.2206 17556.88  348.565 17556.88  348.565   0.0000   0.0000  525.759   5.2206  ?   ?       ?      ? 
1 1 1  -15    7    6 o  272.639   3.6564  4673.20  118.592  4587.01  143.714  4857.16  209.954  268.751   4.2109  276.526   5.9787 -7.774689 7.312773 
1 1 1  -15    7    7 o  832.867   7.6797 44225.80  709.230 44361.46  823.092 43834.70  1397.56  835.597   7.7566  830.136   13.257 5.460815 15.35945 
1 1 1  -15    7    8 o  717.221   7.1058 33104.99  626.749 34467.26  802.011 30968.00  1004.50  736.506   8.5748  697.935   11.333 38.57086 14.21170 
1 1 1  -15    7    9 o  588.157   6.0889 21971.05  434.354 21950.21  539.389 22009.51  732.585  587.818   7.2257  588.495   9.8025 -0.6769409 12.17786 
1 1 1  -15    7   10 o  542.954   5.3922 18618.56  327.521 18498.06  381.005 18959.67  641.030  539.673   5.5593  546.235   9.2410 -6.562195 10.78439 
1 1 1  -15    7   11 o  449.759   4.9936 12950.91  271.612 13189.35  337.852 12515.18  456.710  455.690   5.8382  443.827   8.1031 11.86337 9.987193 
1 1 1  -15    7   13 o  715.583   6.8739 31823.94  537.031 31161.39  614.856 33955.43  1102.83  700.383   6.9129  730.784   11.883 -30.40045 13.74786 
1 1 1  -15    7   14 o  826.943   7.6875 43698.35  711.843 43953.54  831.119 42995.71  1379.10  831.736   7.8686  822.150   13.209 9.585938 15.37498 
1 1 1  -15    7   15 o  183.691   4.3645  2148.94   98.888  2166.85  125.962  2120.17  159.645  184.701   5.3702  182.681   6.8815 2.019943 8.728982 
1 1 1  -15    7   16 o  623.005   6.0359 24753.96  426.193 24852.24  500.886 24496.17  811.230  625.418   6.3065  620.592   10.293 4.825989 12.07176 
1 1 1  -15    7   17 o  349.143   4.2783  7498.60  174.749  7136.36  207.435  8384.10  324.324  335.144   4.8739  363.142   7.0327 -27.99850 8.556515 
1 1 1  -15    7   18 o  284.159   4.1582  5107.16  142.546  5049.37  175.503  5219.17  244.354  281.867   4.9030  286.451   6.7173 -4.583771 8.316310 
1 1 1  -15    7   19 o  400.762   4.5737 10222.16  216.412 10228.92  261.716 10207.55  384.832  401.117   5.1378  400.407   7.5682 0.7099609 9.147390 
1 1 1  -15    7   20 o  235.039   4.2399  3535.13  124.663  3643.88  164.233  3387.29  191.489  239.371   5.4027  230.707   6.5359 8.664368 8.479808 
1 1 1  -15    7   21 o  133.760   5.9385  1141.95  100.782  1185.63  141.574  1097.07  143.499  136.371   8.1749  131.150   8.6159 5.221237 11.87705 
1 1 1  -15    7   22 o  265.328   4.5296  4440.88  148.968  4298.39  189.554  4671.04  240.904  259.888   5.7434  270.769   7.0060 -10.88144 9.059263 
1 1 1  -15    7   23 o  165.707   5.6072  1752.29  117.288  1752.52  157.516  1752.00  175.713  165.764   7.4827  165.650   8.3529 0.1145935 11.21430 
1 1 1  -15    7   24 o  118.218   7.4644  895.126  110.120  687.247  150.681  1133.43  161.331  103.399   11.475  133.037   9.5492 -29.63833 14.92882 
1 1 1  -15    7   25 o   75.407   9.8205  406.984   81.716  304.053  148.817  451.417   97.775   66.880   17.367   83.935   9.1729 -17.05499 19.64101 
1 1 1  -15    7   27 f   39.640   11.237   46.237   90.389 -88.5873  159.904  109.546  109.574   35.526   16.164   43.753   15.614 -8.226963 22.47410 
1 1 1  -15    7   28 o   46.144   12.485  105.281   93.149   88.584  185.597  110.903  107.695   48.684   19.585   43.604   15.489 5.079853 24.96941 
1 1 1  -15    7   29 o   44.724   12.622   85.100   97.629   61.049  197.727   92.853  112.269   47.576   19.795   41.872   15.666 5.703751 25.24402 
1 1 1  -15    7   30 o   38.995   11.923   13.794   97.745   5.4440  189.726   16.811  114.045   42.972   18.674   35.017   14.830 7.954628 23.84590 
1 1 1  -15    7   31 o   77.086   11.496  397.019  104.282  542.793  183.551  327.540  126.719   86.425   17.327   67.746   15.113 18.67886 22.99225 
1 1 1  -15    7   32 o   46.050   11.976  124.365  105.563 -63.4180  176.584  228.792  131.683   36.743   16.820   55.357   17.051 -18.61436 23.95125 
1 1 1  -15    7   33 o   54.479   13.889  113.207  118.363  507.241  242.840  -9.5720  135.555   74.662   23.182   34.296   15.303 40.36626 27.77734 
1 1 1  -15    9    1 o  412.621   7.5873 10816.05  397.571   0.0000   0.0000 10816.05  397.571  ?   ?   412.621   7.5873      ?      ? 
1 1 1  -15    9    2 o  983.338   9.5262 61492.31  1121.04 61486.33  1372.44 61504.30  1943.27  983.527   10.988  983.149   15.565 0.3777466 19.05247 
1 1 1  -15    9    3 o  637.110   6.3791 26128.51  495.705 27073.85  626.119 24540.76  811.439  652.820   7.5524  621.400   10.283 31.42059 12.75825 
1 1 1  -15    9    4 o  235.082   3.7655  3436.39  105.001  3311.74  126.408  3713.79  188.581  228.359   4.3589  241.804   6.1412 -13.44498 7.530926 
1 1 1  -15    9    5 o  681.376   6.5023 29170.94  485.999 28851.82  558.989 30159.15  983.672  673.954   6.5312  688.798   11.246 -14.84363 13.00459 
1 1 1  -15    9    6 o  975.149   8.8558 61555.86  980.936 62969.85  1160.24 58011.93  1836.83  995.462   9.1779  954.835   15.148 40.62695 17.71167 
1 1 1  -15    9    7 o  498.714   5.3182 15679.21  315.388 15460.17  382.447 16144.81  557.589  493.356   6.1043  504.073   8.7105 -10.71735 10.63649 
1 1 1  -15    9    8 f  393.762   4.6398  9701.20  217.051  9442.89  262.219 10263.35  386.833  385.587   5.3551  401.937   7.5786 -16.34991 9.279634 
1 1 1  -15    9    9 o  211.497   4.2949  2864.14  106.269  2901.01  127.942  2782.08  190.836  213.725   4.7139  209.269   7.1809 4.456223 8.589887 
1 1 1  -15    9   10 o  115.334   7.7754  922.880  104.033  579.890  162.501  1161.09  135.423   95.483   13.401  135.185   7.8884 -39.70239 15.55073 
1 1 1  -15    9   11 o  743.469   7.4698 35489.05  686.544 36786.22  884.712 33525.44  1088.50  760.823   9.1567  726.115   11.804 34.70758 14.93959 
1 1 1  -15    9   12 o  113.389   5.5755  791.627   77.355  729.148   95.651  909.735  131.513  107.131   7.0307  119.648   8.6554 -12.51650 11.15107 
1 1 1  -15    9   13 o  341.043   4.1854  7160.85  167.096  6826.78  198.510  7973.00  309.515  327.845   4.7680  354.242   6.8802 -26.39725 8.370879 
1 1 1  -15    9   14 o   93.422   6.6837  550.536   78.878  512.685  105.174  599.194  119.248   89.786   9.2241   97.058   9.6748 -7.272209 13.36737 
1 1 1  -15    9   15 o  356.727   4.2082  8180.52  179.964  8377.42  222.104  7804.13  307.078  363.110   4.8166  350.345   6.9020 12.76581 8.416494 
1 1 1  -15    9   16 o  101.890   6.5287  657.138   84.106  618.095  112.699  706.218  126.359   98.504   9.0092  105.275   9.4515 -6.771042 13.05743 
1 1 1  -15    9   17 o  499.177   5.1266 15947.00  296.966 16075.36  354.938 15647.49  542.196  502.796   5.5588  495.557   8.6156 7.239014 10.25324 
1 1 1  -15    9   18 o  132.166   5.1831  1116.17   86.544  1157.79  117.933  1067.61  127.399  134.866   6.8858  129.465   7.7488 5.401352 10.36619 
1 1 1  -15    9   19 o   45.246   10.810  114.759   77.827  180.335  108.895   46.291  111.271   52.458   15.362   38.034   15.213 14.42460 21.61954 
1 1 1  -15    9   20 o  126.198   5.9722  1014.68   95.644  966.923  132.692  1066.31  137.984  123.109   8.4874  129.288   8.4042 -6.178604 11.94431 
1 1 1  -15    9   21 o   94.139   7.9013  570.690   93.953  627.498  131.446  511.352  134.340   99.006   10.455   89.272   11.850 9.734329 15.80250 
1 1 1  -15    9   22 o   71.875   10.735  346.527   94.961  383.907  135.749  310.707  132.886   75.835   14.626   67.915   15.719 7.920624 21.47078 
1 1 1  -15    9   23 o   47.488   12.142  117.167   95.011  171.997  142.070   72.804  127.794   52.804   17.839   42.172   16.478 10.63212 24.28494 
1 1 1  -15    9   24 o   56.017   12.596  195.242  101.102  145.136  133.076  263.643  155.485   49.427   17.246   62.608   18.362 -13.18183 25.19122 
1 1 1  -15    9   25 o   90.030   12.405  430.253  158.540  1188.97  265.454   9.5638  197.665  134.766   15.511   45.294   19.363 89.47208 24.80964 
1 1 1  -15    9   26 o   79.510   11.575  419.301  116.008  244.051  156.041  635.856  173.458   60.304   18.559   98.717   13.837 -38.41309 23.14937 
1 1 1  -15    9   27 o   46.179   12.503  108.071   94.416   67.295  189.501  121.536  108.894   47.534   19.540   44.825   15.603 2.708584 25.00510 
1 1 1  -15    9   28 o   42.315   12.316   59.682   96.839   26.796  193.352   70.693  111.883   45.019   19.196   39.610   15.434 5.408451 24.63118 
1 1 1  -15    9   29 o  103.299   8.3292  725.029   98.644  656.632  178.608  755.049  118.328   98.747   14.243  107.852   8.6394 -9.105728 16.65839 
1 1 1  -15    9   30 o   28.213   13.849 -624.4604  102.716 -303.3382  170.533 -807.2896  128.676   28.213   13.849  ?   ?       ?      ? 
1 1 1  -15    9   31 o   30.874   14.186 -63.5824  127.207   0.0000   0.0000 -63.5824  127.207  ?   ?    30.874   14.186      ?      ? 
1 1 1  -15   11    1 o  803.100   7.9184 41457.36  779.270 42833.27  989.718 39212.98  1264.05  820.966   9.4931  785.234   12.676 35.73132 15.83681 
1 1 1  -15   11    2 o  324.362   4.0411  6666.15  152.554  6641.61  182.166  6723.79  279.134  323.386   4.4358  325.339   6.7561 -1.953247 8.082173 
1 1 1  -15   11    3 f  236.825   3.9546  3607.97  110.298  3687.74  133.839  3439.12  194.725  240.971   4.3736  232.679   6.5900 8.292297 7.909277 
1 1 1  -15   11    4 o  276.241   3.8618  4711.51  123.993  4523.75  146.706  5181.03  231.993  266.891   4.3285  285.591   6.3966 -18.69986 7.723514 
1 1 1  -15   11    5 o  198.080   3.8807  2443.78   92.576  2346.26  113.045  2642.34  161.313  192.206   4.6313  203.955   6.2281 -11.74896 7.761373 
1 1 1  -15   11    6 f  446.999   4.6958 12855.79  242.764 13096.07  290.231 12296.06  442.964  454.086   5.0330  439.911   7.9291 14.17545 9.391612 
1 1 1  -15   11    7 o  482.265   5.1820 14817.54  300.528 14904.82  370.295 14649.10  514.404  484.398   6.0196  480.132   8.4366 4.266235 10.36395 
1 1 1  -15   11    8 o  305.440   3.3688  5927.57  130.596  5691.37  184.615  6164.16  184.766  299.345   4.8564  311.534   4.6702 -12.18890 6.737661 
1 1 1  -15   11    9 f  230.064   4.9013  3361.95  143.197  3361.95  143.197   0.0000   0.0000  230.064   4.9013  ?   ?       ?      ? 
1 1 1  -15   11   11 o   71.617   6.7421  325.783   60.864  331.272   92.191  321.543   81.034   72.142   10.063   71.093   8.9756 1.049591 13.48418 
1 1 1  -15   11   12 o  416.008   3.8592 10998.11  203.863 10793.57  286.820 11206.94  289.816  412.098   5.4806  419.918   5.4348 -7.820251 7.718424 
1 1 1  -15   11   13 o  302.763   3.3968  5819.34  130.314  5920.49  191.454  5732.02  177.877  305.203   4.9397  300.323   4.6639 4.880920 6.793572 
1 1 1  -15   11   14 o  225.077   3.3292  3203.83   94.748  3387.01  142.108  3057.23  127.128  230.833   4.8478  219.321   4.5644 11.51190 6.658426 
1 1 1  -15   11   15 o   74.313   7.3809  376.791   63.672  286.678  100.962  436.300   82.046   65.861   12.529   82.766   7.8060 -16.90472 14.76185 
1 1 1  -15   11   16 o   40.283   9.8577   92.210   60.972  109.035   93.456   79.742   80.451   42.734   14.469   37.832   13.392 4.901951 19.71541 
1 1 1  -15   11   17 o  149.241   4.2098  1429.00   77.517  1366.38  123.969  1469.20   99.332  146.493   6.6638  151.989   5.1463 -5.496078 8.419667 
1 1 1  -15   11   18 o  220.253   3.5296  3088.46   97.044  3069.66  151.661  3101.49  126.280  219.650   5.4371  220.856   4.5024 -1.205887 7.059277 
1 1 1  -15   11   19 o   87.847   6.5365  487.126   69.557  513.367  118.992  473.504   85.730   89.541   10.464   86.152   7.8358 3.388855 13.07306 
1 1 1  -15   11   20 o   97.272   7.8552  617.213   94.626  462.426  133.964  771.344  133.679   84.767   12.445  109.777   9.5890 -25.01016 15.71050 
1 1 1  -15   11   21 o  100.971   7.4398  655.764   94.754  562.126  132.467  753.873  135.593   93.507   11.155  108.435   9.8467 -14.92796 14.87951 
1 1 1  -15   11   22 o  128.479   6.5637  1036.90  102.815  985.641  127.180  1133.59  174.674  124.139   8.0674  132.820   10.356 -8.680412 13.12738 
1 1 1  -15   11   23 o  396.056   8.3008 10046.38  417.499   0.0000   0.0000 10046.38  417.499  ?   ?   396.056   8.3008      ?      ? 
1 1 1  -15   11   24 o   50.750   11.929  115.991  105.296 -49.2665  145.570  297.340  152.492   35.630   15.882   65.871   17.805 -30.24112 23.85867 
1 1 1  -15   11   25 o  114.491   8.3407  858.237  120.081  972.342  167.527  737.662  172.211  122.596   10.760  106.385   12.747 16.21116 16.68140 
1 1 1  -15   11   26 o   42.158   12.525   34.054  112.453   19.796  175.215   44.041  146.639   42.923   18.287   41.394   17.120 1.529037 25.05007 
1 1 1  -15   11   27 o  100.475   9.2224  680.078  114.832  521.409  163.672  833.899  161.151   88.196   14.613  112.753   11.255 -24.55658 18.44479 
1 1 1  -15   11   28 o   66.741   19.867 -55.8647  114.807  1140.42  631.118 -96.8060  116.755  105.261   37.484   28.221   13.181 77.04041 39.73344 
1 1 1  -15   13    1 o  282.192   3.9253  5016.77  127.874  4956.85  151.502  5165.21  238.448  279.334   4.2709  285.049   6.5871 -5.715088 7.850515 
1 1 1  -15   13    2 o  749.977   7.1041 35286.46  579.206 34808.24  662.990 36827.98  1190.33  739.912   7.0558  760.043   12.332 -20.13177 14.20828 
1 1 1  -15   13    3 o  105.485   5.7064  682.810   72.569  633.466   88.192  786.273  127.703   99.816   6.9575  111.155   9.0469 -11.33848 11.41280 
1 1 1  -15   13    4 o  376.370   4.4155  9115.96  200.380  8642.16  337.276  9374.43  249.110  368.648   7.2044  384.092   5.1071 -15.44388 8.830964 
1 1 1  -15   13    5 o  271.064   3.2024  4665.16  110.140  4396.45  153.728  4948.57  157.878  263.047   4.6020  279.081   4.4546 -16.03467 6.404832 
1 1 1  -15   13    6 o   97.965   5.0357  613.619   62.304  550.052   89.264  674.002   87.000   92.981   7.5597  102.949   6.6546 -9.967491 10.07137 
1 1 1  -15   13    7 o  193.737   3.2639  2382.60   80.094  2420.49  117.993  2350.22  109.072  195.158   4.7609  192.315   4.4660 2.843414 6.527782 
1 1 1  -15   13    8 o  484.531   4.2691 14930.07  262.668 14953.92  373.649 14906.78  369.327  484.910   6.0677  484.153   6.0069 0.7572327 8.538151 
1 1 1  -15   13    9 o  267.864   3.3395  4556.75  113.468  4637.18  165.041  4484.66  156.257  270.099   4.8116  265.630   4.6322 4.468658 6.678964 
1 1 1  -15   13   10 o  480.620   4.2557 14685.26  259.620 14928.25  374.219 14459.77  360.482  484.442   6.0828  476.798   5.9535 7.644073 8.511459 
1 1 1  -15   13   11 o  196.660   3.3925  2446.80   84.237  2564.03  127.282  2355.44  112.367  200.821   4.9909  192.498   4.5966 8.323288 6.785099 
1 1 1  -15   13   12 o  348.406   3.5162  7718.12  155.563  7715.09  221.273  7721.08  218.749  348.336   5.0021  348.477   4.9430 -0.1408386 7.032394 
1 1 1  -15   13   13 o  242.143   3.2755  3718.89  100.466  3845.88  148.398  3611.44  136.507  245.942   4.7514  238.344   4.5100 7.598267 6.550992 
1 1 1  -15   13   14 o   94.759   5.7058  562.764   67.588  626.550  107.439  520.987   86.949   99.103   8.5368   90.415   7.5727 8.688248 11.41151 
1 1 1  -15   13   15 o   69.670   7.4748  307.320   65.052  328.412  103.033  293.339   83.885   71.596   11.332   67.744   9.7507 3.852623 14.94963 
1 1 1  -15   13   16 o  424.209   3.9876 11454.49  214.748 11447.89  307.581 11460.76  299.961  424.077   5.7113  424.341   5.5664 -0.2649231 7.975196 
1 1 1  -15   13   17 o  179.982   3.9994  2073.85   89.236  2008.80  141.382  2116.92  115.047  177.567   6.2698  182.398   4.9668 -4.830429 7.998736 
1 1 1  -15   13   18 o  165.925   4.1403  1726.98   84.798  1866.00  139.451  1645.41  106.816  171.087   6.4184  160.764   5.2320 10.32335 8.280695 
1 1 1  -15   13   19 o   49.234   11.010  150.522   74.098  177.859  127.102  136.448   91.198   52.583   16.831   45.886   14.199 6.696865 22.02047 
1 1 1  -15   13   20 o   64.423   10.802  276.190   87.150  342.106  131.246  224.205  116.555   71.208   14.988   57.637   15.561 13.57129 21.60484 
1 1 1  -15   13   21 o   60.671   12.027  250.301   93.963  235.489  158.980  258.253  116.486   59.660   18.795   61.682   15.013 -2.021843 24.05471 
1 1 1  -15   13   22 o  136.872   5.6095  1191.69   93.627  1230.88  157.059  1170.08  116.612  138.441   8.9335  135.302   6.7867 3.138596 11.21902 
1 1 1  -15   13   23 o   49.275   11.943  107.591   85.959  262.977  163.297   48.030  101.101   62.126   18.963   36.424   14.523 25.70238 23.88558 
1 1 1  -15   13   24 o  173.904   5.5587  1951.07  122.317  1833.82  176.995  2058.26  169.230  168.774   8.2581  179.035   7.4433 -10.26056 11.11746 
1 1 1  -15   13   25 o   81.871   13.883  513.269  127.114  382.476  275.875  548.521  143.223   72.591   24.857   91.151   12.373 -18.56036 27.76641 
1 1 1  -15   13   26 o   69.391   16.455  366.998  156.214  239.180  374.572  393.910  171.874   65.454   27.240   73.328   18.467 -7.873932 32.91004 
1 1 1  -15   13   27 f  192.614   9.4704  2598.35  198.330  1130.23  266.723  4413.96  296.613  126.076   16.659  259.152   9.0128 -133.0756 18.94075 
1 1 1  -15   15    1 o  260.624   3.9829  4366.66  125.581  4478.19  156.589  4165.64  210.229  265.410   4.6458  255.837   6.4707 9.573029 7.965791 
1 1 1  -15   15    2 o   96.820   10.650  598.961  130.942  598.961  130.942   0.0000   0.0000   96.820   10.650  ?   ?       ?      ? 
1 1 1  -15   15    3 o   42.156   9.1163  114.287   55.257   69.725   83.321  149.273   73.827   36.911   13.554   47.400   12.195 -10.48886 18.23268 
1 1 1  -15   15    4 o  299.179   3.3184  5688.21  126.045  5787.43  180.806  5594.40  175.809  301.714   4.7189  296.644   4.6669 5.069977 6.636851 
1 1 1  -15   15    5 o   82.628   5.9804  433.298   62.606  467.559   92.378  404.196   85.140   85.633   8.4948   79.622   8.4201 6.010719 11.96077 
1 1 1  -15   15    6 f  175.804   5.0251  1965.43  112.188  1965.43  112.188   0.0000   0.0000  175.804   5.0251  ?   ?       ?      ? 
1 1 1  -15   15    7 o  295.864   3.3430  5563.06  125.486  5627.56  181.913  5504.50  173.326  297.492   4.8152  294.236   4.6386 3.255646 6.686018 
1 1 1  -15   15    8 o  170.852   3.6679  1855.62   79.514  1881.67  115.164  1831.89  109.919  171.993   5.2727  169.712   5.1001 2.280426 7.335706 
1 1 1  -15   15    9 o  161.492   3.7272  1661.43   76.185  1627.49  111.754  1690.91  104.132  159.935   5.5023  163.049   5.0291 -3.113617 7.454309 
1 1 1  -15   15   10 o  115.631   4.8806  855.490   71.263  810.773  104.845  893.888   97.155  112.786   7.3201  118.475   6.4574 -5.689713 9.761274 
1 1 1  -15   15   11 o  320.763   3.5142  6535.11  142.899  6706.98  209.426  6385.38  195.474  324.690   5.0791  316.836   4.8582 7.854004 7.028452 
1 1 1  -15   15   12 o  186.611   3.6797  2215.40   86.879  2222.94  128.621  2209.07  117.819  186.886   5.4195  186.336   4.9790 0.5493469 7.359424 
1 1 1  -15   15   13 o  355.985   3.6898  8066.94  166.647  8038.22  240.756  8093.36  230.902  355.358   5.3350  356.613   5.0986 -1.255188 7.379573 
1 1 1  -15   15   14 o  151.362   4.1915  1463.79   79.643  1431.04  121.492  1488.47  105.464  149.832   6.3851  152.891   5.4318 -3.059143 8.382932 
1 1 1  -15   15   15 o  116.676   5.0202  864.945   73.601  895.794  113.425  842.508   96.731  118.425   7.5420  114.926   6.6278 3.498978 10.04039 
1 1 1  -15   15   16 f   88.256   7.1904  507.522   79.389  438.042  117.137  566.550  107.968   82.483   11.183   94.030   9.0417 -11.54716 14.38085 
1 1 1  -15   15   18 o   63.449   8.6746  281.911   85.732 -69.7823  126.343  582.053  116.716   31.738   14.412   95.161   9.6582 -63.42303 17.34919 
1 1 1  -15   15   19 o  113.316   5.8482  804.851   82.515  915.507  133.297  736.103  105.065  119.418   8.7897  107.215   7.7166 12.20366 11.69636 
1 1 1  -15   15   20 o  150.962   5.1126  1460.39   94.861  1455.37  154.831  1463.41  120.026  150.592   8.0962  151.332   6.2455 -0.7402039 10.22517 
1 1 1  -15   15   21 o  100.358   7.0865  675.382   84.302  580.451  142.159  726.873  104.698   94.337   11.866  106.378   7.7501 -12.04054 14.17294 
1 1 1  -15   15   22 o   63.267   12.843  210.236   90.326  440.618  212.211  159.262   99.820   77.954   20.976   48.581   14.825 29.37294 25.68612 
1 1 1  -15   15   23 o   39.940   12.625 -17.8426  113.770 -54.6860  236.186  -6.7108  129.825   44.491   20.000   35.390   15.413 9.100948 25.25012 
1 1 1  -15   15   24 o  116.247   10.802  968.645  143.064  567.223  199.867  1390.43  204.873   87.836   18.502  144.658   11.152 -56.82260 21.60343 
1 1 1  -15   15   25 o  204.716   8.1177  2741.74  211.038  2741.74  211.038   0.0000   0.0000  204.716   8.1177  ?   ?       ?      ? 
1 1 1  -15   17    1 o  173.415   3.7337  1918.70   81.916  1853.93  119.983  1975.24  112.110  170.647   5.5366  176.184   5.0107 -5.536896 7.467353 
1 1 1  -15   17    2 o  217.725   3.4154  3010.60   94.300  3113.84  137.873  2919.86  129.265  221.219   4.9077  214.232   4.7514 6.987198 6.830883 
1 1 1  -15   17    3 o  134.086   4.6167  1143.71   78.155  1165.12  117.503  1126.72  104.663  135.185   6.8445  132.987   6.1974 2.198013 9.233361 
1 1 1  -15   17    4 o  209.705   3.5063  2798.36   93.065  2799.03  137.336  2797.79  126.552  209.710   5.1569  209.701   4.7522 0.9445190E-02 7.012610 
1 1 1  -15   17    5 o  205.269   3.6448  2685.92   94.562  2638.22  140.047  2725.89  128.198  203.566   5.4174  206.973   4.8774 -3.406494 7.289546 
1 1 1  -15   17    6 o  236.276   3.3906  3552.92  101.581  3542.60  147.687  3562.19  139.940  235.936   4.9291  236.617   4.6571 -0.6803894 6.781254 
1 1 1  -15   17    7 o  250.684   3.4167  4000.46  108.695  3964.68  156.252  4034.01  151.304  249.585   4.9298  251.781   4.7320 -2.196030 6.833377 
1 1 1  -15   17    8 o  179.562   3.8092  2047.06   86.693  2151.88  127.530  1957.00  118.206  183.816   5.4633  175.309   5.3095 8.506332 7.618306 
1 1 1  -15   17    9 o  190.423   3.7962  2290.26   91.244  2479.29  138.588  2145.62  121.226  197.283   5.5317  183.563   5.2004 13.72044 7.592314 
1 1 1  -15   17   10 o  154.524   4.7537  1547.97   91.777  1324.63  135.673  1736.39  124.617  144.001   7.4191  165.047   5.9455 -21.04625 9.507479 
1 1 1  -15   17   11 o   26.197   8.8099 -195.8785   84.509 -55.3594  118.125 -343.2065  120.953   31.349   14.114   21.045   10.548 10.30335 17.61974 
1 1 1  -15   17   12 o  273.062   5.6214  4752.42  194.932   0.0000   0.0000  4752.42  194.932  ?   ?   273.062   5.6214      ?      ? 
1 1 1  -15   17   13 o  190.352   6.6557  2313.88  160.889  2313.88  160.889   0.0000   0.0000  190.352   6.6557  ?   ?       ?      ? 
1 1 1  -15   17   14 o  128.895   5.4900  1067.58   89.431  954.777  127.151  1178.01  125.808  122.070   8.2022  135.719   7.2995 -13.64877 10.97991 
1 1 1  -15   17   15 o  115.230   5.7074  859.488   82.411  789.529  123.997  914.841  110.297  110.885   8.8056  119.575   7.2635 -8.689163 11.41479 
1 1 1  -15   17   16 f  226.746   3.8497  3290.49  110.351  3153.78  161.932  3409.02  150.783  222.275   5.7367  231.216   5.1352 -8.940796 7.699355 
1 1 1  -15   17   17 o   40.261   10.393   68.199   77.579 -38.7210  114.662  158.465  105.354   31.597   14.089   48.924   15.282 -17.32700 20.78529 
1 1 1  -15   17   18 o   54.661   11.134  205.864   80.326  190.675  131.238  214.962  101.575   53.390   17.104   55.933   14.258 -2.542648 22.26716 
1 1 1  -15   17   19 o  194.830   5.2437  2502.43  116.078  2309.59  215.529  2581.21  137.765  188.783   8.9901  200.876   5.4005 -12.09332 10.48749 
1 1 1  -15   17   20 o  145.176   6.8872  1382.57  123.360  1355.25  198.214  1399.84  157.602  143.488   10.878  146.864   8.4503 -3.375122 13.77437 
1 1 1  -15   17   21 o   52.903   13.577  180.196  116.954  142.745  153.733  231.649  180.195   48.532   18.298   57.274   20.063 -8.741680 27.15405 
1 1 1  -15   17   22 o  121.815   9.5797  1682.88  154.475  2791.86  192.247 -337.8203  259.505  207.189   7.3066   36.441   17.711 170.7472 19.15935 
1 1 1  -15   17   23 o   30.244   14.781 -283.4677  187.966 -283.4677  187.966   0.0000   0.0000   30.244   14.781  ?   ?       ?      ? 
1 1 1  -15   19    1 o  139.073   5.4288  1240.53   95.547  1197.47  139.600  1278.47  131.053  136.746   8.0388  141.400   7.2983 -4.654663 10.85760 
1 1 1  -15   19    2 o  225.539   3.8337  3242.94  109.651  3232.90  159.167  3252.00  151.275  225.183   5.5659  225.895   5.2733 -0.7114410 7.667300 
1 1 1  -15   19    3 o  141.410   4.7724  1277.99   85.287  1270.93  126.821  1283.83  115.236  141.010   7.0821  141.809   6.3989 -0.7996368 9.544778 
1 1 1  -15   19    4 o   91.552   7.3250  538.682   83.233  703.425  122.517  397.478  113.427  104.661   9.2180   78.443   11.386 26.21783 14.64997 
1 1 1  -15   19    5 f  226.028   3.7557  3248.32  107.550  3368.16  158.652  3146.42  146.295  229.856   5.4352  222.201   5.1845 7.654922 7.511344 
1 1 1  -15   19    6 o   78.748   8.0055  405.271   78.388  375.690  121.336  426.462  102.696   76.095   12.556   81.400   9.9347 -5.304314 16.01100 
1 1 1  -15   19    7 o   72.299   9.6354  379.302   84.827  158.954  123.740  574.659  116.512   50.097   16.646   94.501   9.7086 -44.40428 19.27074 
1 1 1  -15   19    8 o  209.792   4.0691  2803.70  108.269  3012.66  156.344  2611.15  150.080  217.306   5.6654  202.277   5.8425 15.02831 8.138277 
1 1 1  -15   19    9 o  128.452   5.7728  1058.58   94.158  1078.29  133.425  1039.03  132.897  129.652   8.1036  127.252   8.2238 2.400948 11.54555 
1 1 1  -15   19   10 o  199.925   4.1124  2560.67  103.644  2476.77  154.834  2628.79  139.509  196.872   6.1930  202.977   5.4123 -6.104111 8.224739 
1 1 1  -15   19   11 o  123.824   5.6684  968.595   87.785  1076.76  139.248  897.255  113.089  129.382   8.4750  118.267   7.5297 11.11543 11.33674 
1 1 1  -15   19   12 o  281.465   3.7760  5053.92  134.688  5127.80  197.577  4989.79  184.092  283.339   5.4910  279.590   5.1848 3.749359 7.552068 
1 1 1  -15   19   13 o  198.297   4.2994  2528.51  107.688  2255.85  153.577  2792.25  151.043  187.633   6.4453  208.960   5.6919 -21.32750 8.598802 
1 1 1  -15   19   14 o   54.872   11.037  197.416   84.164  302.022  126.347  113.972  112.846   65.837   15.388   43.907   15.827 21.93026 22.07451 
1 1 1  -15   19   15 o  163.664   4.6472  1729.22   95.884  1652.43  142.605  1792.57  129.535  160.196   7.0098  167.132   6.1031 -6.935715 9.294357 
1 1 1  -15   19   16 o   40.369   11.773 -26.7640  109.016  169.564  164.287 -181.2226  145.720   51.800   19.031   28.938   13.864 22.86215 23.54561 
1 1 1  -15   19   17 o  188.170   5.6331  2297.87  134.422  2151.50  184.958  2461.73  195.699  181.810   8.0108  194.529   7.9218 -12.71936 11.26626 
1 1 1  -15   19   18 o  203.507   6.8655  2788.16  165.808  4080.44  242.404  1651.89  227.301  250.249   7.6276  156.765   11.418 93.48444 13.73106 
1 1 1  -15   19   19 o   74.610   13.105  432.039  124.802  509.804  177.473  355.962  175.537   82.078   17.558   67.143   19.459 14.93448 26.20904 
1 1 1  -15   19   20 o   53.336   20.651  210.022  199.326  210.022  199.326   0.0000   0.0000   53.336   20.651  ?   ?       ?      ? 
1 1 1  -15   21    1 o  194.177   4.2644  2423.04  104.479  2352.37  155.557  2481.11  141.020  191.478   6.3972  196.875   5.6404 -5.396957 8.528733 
1 1 1  -15   21    2 o  170.207   4.5509  1841.35   97.544  1991.27  149.947  1731.37  128.434  176.079   6.7058  164.334   6.1542 11.74501 9.101788 
1 1 1  -15   21    3 o  278.546   3.7754  4977.39  132.898  4795.30  195.739  5133.12  181.017  273.691   5.6317  283.401   5.0297 -9.709930 7.550745 
1 1 1  -15   21    4 o  197.593   4.2214  2498.09  105.421  2545.99  157.607  2459.30  141.815  199.222   6.2296  195.964   5.6986 3.258545 8.442876 
1 1 1  -15   21    5 o   44.485   11.331  110.348   87.411   21.454  132.307  179.203  116.443   37.719   15.973   51.250   16.075 -13.53085 22.66205 
1 1 1  -15   21    6 o  128.126   5.6773  1063.88   91.226  1046.07  139.784  1077.10  120.401  126.999   8.6672  129.254   7.3351 -2.255699 11.35453 
1 1 1  -15   21    7 o   34.601   10.477   2.8322   81.191   40.472  126.726 -23.3763  105.745   38.329   15.889   30.873   13.660 7.456146 20.95383 
1 1 1  -15   21    8 o   59.304   11.060  240.566   86.736  345.083  130.977  158.930  115.755   70.009   15.170   48.599   16.098 21.40974 22.11978 
1 1 1  -15   21    9 o   35.362   10.851   2.7104   88.974 -24.9496  144.241   19.699  113.041   35.860   15.906   34.864   14.764 0.9962082 21.70253 
1 1 1  -15   21   10 o  131.028   6.4012  1134.62  104.933  1049.33  158.921  1200.55  139.721  126.227   9.9140  135.829   8.1002 -9.601349 12.80238 
1 1 1  -15   21   11 o  ?   ?  -854.6871  110.663 -673.8183  151.462 -1061.7990  162.079  ?   ?   ?   ?       ?      ? 
1 1 1  -15   21   12 o  227.934   8.9220  3416.75  258.256  3416.75  258.256   0.0000   0.0000  227.934   8.9220  ?   ?       ?      ? 
1 1 1  -15   21   13 o   26.521   13.240 -602.5713  131.790 -796.5698  190.853 -425.7556  182.205  ?   ?    26.521   13.240      ?      ? 
1 1 1  -15   21   14 o   62.596   12.164  232.612  125.374  597.013  193.089 -33.0051  164.852   88.490   17.799   36.703   16.585 51.78702 24.32817 
1 1 1  -15   21   15 o   45.939   12.903  130.617  112.190  127.939  166.435  132.848  151.884   46.133   18.551   45.745   17.939 0.3884087 25.80590 
1 1 1  -15   21   16 o   59.050   13.201  290.658  113.456  226.590  177.210  335.161  147.694   53.379   19.739   64.721   17.534 -11.34163 26.40241 
1 1 1  -15   21   17 o   44.335   18.386  118.267  169.787  118.267  169.787   0.0000   0.0000   44.335   18.386  ?   ?       ?      ? 
1 1 1  -15   23    1 o   44.427   11.913  118.484   92.680  185.316  143.864   71.069  121.176   50.148   17.892   38.706   15.735 11.44191 23.82671 
1 1 1  -15   23    2 o  162.296   5.1207  1710.91  104.413  1829.24  161.828  1626.52  136.666  166.774   7.6410  157.818   6.8191 8.956375 10.24131 
1 1 1  -15   23    3 o  105.133   7.6003  769.139   98.226  657.644  151.451  850.087  129.047   97.353   12.250  112.913   8.9996 -15.56003 15.20069 
1 1 1  -15   23    4 o  118.729   6.5798  952.167   96.701  901.241  152.148  986.680  125.254  115.283   10.393  122.176   8.0729 -6.892799 13.15968 
1 1 1  -15   23    5 o   63.627   11.474  310.897   91.144  307.910  149.591  312.661  114.944   62.229   17.943   65.025   14.308 -2.795952 22.94891 
1 1 1  -15   23    6 o   43.497   11.779  121.139   93.409   66.126  141.066  164.095  124.652   39.712   16.637   47.282   16.678 -7.569893 23.55721 
1 1 1  -15   23    7 o   46.363   12.015  153.030   95.178   96.840  140.782  200.332  129.169   41.800   16.972   50.926   17.011 -9.126087 24.02979 
1 1 1  -15   23    8 o   85.206   8.9904  509.307   95.134  546.299  152.892  485.936  121.526   86.850   13.862   83.563   11.452 3.286491 17.98087 
1 1 1  -15   23    9 o  129.265   8.4514  1177.08  138.513  1199.74  202.314  1157.10  190.035  130.117   12.244  128.414   11.653 1.702942 16.90286 
1 1 1  -14    0    1 o   44.173   6.6195  139.395   46.184  139.395   46.184  139.395   46.184   44.173   9.3614   44.173   9.3614 -0.000000 0.000000 
1 1 1  -14    0    2 o  892.939   7.0796 50680.46  1135.01 50680.46  1135.01 50680.46  1135.01  892.939   10.012  892.939   10.012 -0.000000 0.000000 
1 1 1  -14    0    3 o  314.135   3.0852  6270.28  173.979  6270.28  173.979  6270.28  173.979  314.135   4.3631  314.135   4.3631 -0.000000 0.000000 
1 1 1  -14    0    4 o  550.292   4.5985 19241.51  454.324 19241.51  454.324 19241.51  454.324  550.292   6.5033  550.292   6.5033 -0.000000 0.000000 
1 1 1  -14    0    5 f  216.769   2.7649  2986.83  107.560  2986.83  107.560  2986.83  107.560  216.769   3.9102  216.769   3.9102 -0.000000 0.000000 
1 1 1  -14    0    6 o  147.429   2.9479  1383.58   77.912  1383.58   77.912  1383.58   77.912  147.429   4.1690  147.429   4.1690 -0.000000 0.000000 
1 1 1  -14    0    7 f   98.454   4.0899  621.963   71.746  621.963   71.746  621.963   71.746   98.454   5.7840   98.454   5.7840 -0.000000 0.000000 
1 1 1  -14    0    8 o  580.424   4.8525 21406.44  505.669 21406.44  505.669 21406.44  505.669  580.424   6.8625  580.424   6.8625 -0.000000 0.000000 
1 1 1  -14    0    9 o  440.905   3.9814 12351.81  315.146 12351.81  315.146 12351.81  315.146  440.905   5.6305  440.905   5.6305 -0.000000 0.000000 
1 1 1  -14    0   10 o  315.311   3.3717  6318.00  190.836  6318.00  190.836  6318.00  190.836  315.311   4.7683  315.311   4.7683 -0.000000 0.000000 
1 1 1  -14    0   11 o  374.160   3.7242  8895.84  250.141  8895.84  250.141  8895.84  250.141  374.160   5.2668  374.160   5.2668 -0.000000 0.000000 
1 1 1  -14    0   12 o  557.648   4.8372 19759.46  484.284 19759.46  484.284 19759.46  484.284  557.648   6.8408  557.648   6.8408 -0.000000 0.000000 
1 1 1  -14    0   13 o  230.790   4.1707  3389.29  172.616  3389.29  172.616  3389.29  172.616  230.790   5.8983  230.790   5.8983 -0.000000 0.000000 
1 1 1  -14    0   14 o  1123.16   8.8878 80188.39  1792.28 80188.39  1792.28 80188.39  1792.28  1123.16   12.569  1123.16   12.569 -0.000000 0.000000 
1 1 1  -14    0   15 o  264.007   4.7418  4435.11  224.501  4435.11  224.501  4435.11  224.501  264.007   6.7059  264.007   6.7059 -0.000000 0.000000 
1 1 1  -14    0   16 o  667.169   5.8654 28284.84  702.547 28284.84  702.547 28284.84  702.547  667.169   8.2949  667.169   8.2949 -0.000000 0.000000 
1 1 1  -14    0   17 o  665.188   5.5766 28115.67  665.996 28115.67  665.996 28115.67  665.996  665.188   7.8866  665.188   7.8866 -0.000000 0.000000 
1 1 1  -14    0   18 o  386.890   3.8722  9511.57  268.935  9511.57  268.935  9511.57  268.935  386.890   5.4762  386.890   5.4762 -0.000000 0.000000 
1 1 1  -14    0   20 o   32.788   12.518   97.016  102.634   97.016  102.634   97.016  102.634   32.788   17.703   32.788   17.703 -0.000000 0.000000 
1 1 1  -14    0   21 o   15.638   7.8947 -149.4322   99.597 -149.4322   99.597 -149.4322   99.597   15.638   11.165   15.638   11.165 -0.000000 0.000000 
1 1 1  -14    0   22 o  268.774   3.7384  4595.34  180.297  4595.34  180.297  4595.34  180.297  268.774   5.2869  268.774   5.2869 -0.000000 0.000000 
1 1 1  -14    0   23 o  275.390   3.8177  4824.98  188.654  4824.98  188.654  4824.98  188.654  275.390   5.3990  275.390   5.3990 -0.000000 0.000000 
1 1 1  -14    0   24 o   25.590   11.499   13.105  115.380   13.105  115.380   13.105  115.380   25.590   16.263   25.590   16.263 -0.000000 0.000000 
1 1 1  -14    0   25 o  235.551   3.9253  3533.00  165.845  3533.00  165.845  3533.00  165.845  235.551   5.5512  235.551   5.5512 -0.000000 0.000000 
1 1 1  -14    0   26 o   64.390   13.201  324.708  132.474  324.708  132.474  324.708  132.474   64.390   18.669   64.390   18.669 -0.000000 0.000000 
1 1 1  -14    0   27 o   86.906   10.569  524.837  150.316  524.837  150.316  524.837  150.316   86.906   14.947   86.906   14.947 -0.000000 0.000000 
1 1 1  -14    0   29 o  206.802   5.4975  2738.34  203.524  2738.34  203.524  2738.34  203.524  206.802   7.7746  206.802   7.7746 -0.000000 0.000000 
1 1 1  -14    0   30 o   93.021   11.713  609.472  177.178  609.472  177.178  609.472  177.178   93.021   16.564   93.021   16.564 -0.000000 0.000000 
1 1 1  -14    0   31 o  109.178   10.158  811.022  189.598  811.022  189.598  811.022  189.598  109.178   14.365  109.178   14.365 -0.000000 0.000000 
1 1 1  -14    0   32 o  150.255   6.6418  1469.31  177.623  1469.31  177.623  1469.31  177.623  150.255   9.3929  150.255   9.3929 -0.000000 0.000000 
1 1 1  -14    0   33 o  ?   ?  -653.9069  144.799 -653.9069  144.799 -653.9069  144.799  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1  -14    0   34 o   28.895   13.209   22.506  160.706   22.506  160.706   22.506  160.706   28.895   18.681   28.895   18.681 -0.000000 0.000000 
1 1 1  -14    0   35 o   25.292   12.094 -41.9755  161.559 -41.9755  161.559 -41.9755  161.559   25.292   17.104   25.292   17.104 -0.000000 0.000000 
1 1 1  -14    2    1 o  489.288   4.1652 15202.35  258.737 14974.26  360.762 15443.94  371.284  485.511   5.8512  493.064   5.9296 -7.552429 8.330456 
1 1 1  -14    2    2 f  417.199   3.6993 11012.08  195.531 11691.78  288.937 10437.82  265.583  429.027   5.3032  405.372   5.1590 23.65506 7.398642 
1 1 1  -14    2    3 f  410.377   3.6677 10697.00  191.135 10675.26  268.974 10719.18  271.658  409.957   5.1665  410.798   5.2074 -0.8412170 7.335467 
1 1 1  -14    2    4 o  604.010   4.9836 23170.80  382.138 22823.23  532.214 23540.67  549.028  599.339   6.9926  608.680   7.1028 -9.340759 9.967202 
1 1 1  -14    2    5 o  469.351   4.0775 13989.47  242.995 14257.70  347.343 13732.37  340.067  473.756   5.7733  464.947   5.7595 8.809174 8.154945 
1 1 1  -14    2    6 o  214.727   2.8962  2930.72   78.902  3001.11  110.090  2856.37  113.140  217.382   3.9879  212.072   4.2010 5.309311 5.792428 
1 1 1  -14    2    7 f  704.758   5.7252 31562.71  512.396 31704.86  726.295 31421.84  722.992  706.338   8.0970  703.179   8.0964 3.159607 11.45042 
1 1 1  -14    2    8 o  243.128   3.1054  3751.68   95.798  3977.88  137.285  3537.00  133.742  250.267   4.3196  235.989   4.4627 14.27760 6.210836 
1 1 1  -14    2    9 o  325.067   3.3912  6713.50  139.947  6867.38  197.108  6557.07  198.731  328.826   4.7202  321.308   4.8704 7.517548 6.782420 
1 1 1  -14    2   10 o  234.535   3.2643  3496.53   97.122  3669.57  137.027  3321.83  137.678  240.373   4.4889  228.697   4.7405 11.67566 6.528650 
1 1 1  -14    2   11 o  361.386   3.7126  8274.16  170.148  8878.84  247.372  7731.22  234.402  373.886   5.2099  348.886   5.2905 25.00046 7.425185 
1 1 1  -14    2   12 o  349.354   3.8617  7753.75  171.286  7885.29  241.202  7619.94  243.280  352.345   5.3906  346.363   5.5309 5.981812 7.723310 
1 1 1  -14    2   13 o  449.530   4.6974 12729.47  234.041 12618.75  270.751 13056.77  465.496  445.743   4.7831  453.318   8.0860 -7.574463 9.394775 
1 1 1  -14    2   14 o  369.389   4.4918  8665.54  210.709  8665.54  210.709   0.0000   0.0000  369.389   4.4918  ?   ?       ?      ? 
1 1 1  -14    2   15 o  399.865   4.6738 10065.05  211.505  9957.00  247.441 10358.14  407.513  395.952   4.9210  403.777   7.9473 -7.825500 9.347535 
1 1 1  -14    2   16 f  492.249   5.7228 15611.10  352.140 17022.17  472.572 13849.39  528.034  517.643   7.1889  466.856   8.9064 50.78711 11.44568 
1 1 1  -14    2   17 o   80.542   11.418  412.419  116.789  412.419  116.789   0.0000   0.0000   80.542   11.418  ?   ?       ?      ? 
1 1 1  -14    2   18 o  644.586   6.3921 25625.41  445.173 24954.68  506.610 27898.57  932.644  626.766   6.3649  662.406   11.087 -35.63971 12.78410 
1 1 1  -14    2   19 o  206.533   3.7321  2687.22   97.219  2895.09  148.236  2530.32  128.785  213.480   5.4679  199.585   5.0811 13.89510 7.464282 
1 1 1  -14    2   20 f  147.400   4.5551  1371.70   84.870  1476.86  127.745  1288.61  113.552  152.419   6.5998  142.381   6.2801 10.03720 9.110230 
1 1 1  -14    2   21 o   78.909   9.6051  396.906   96.251   0.0000   0.0000  396.906   96.251  ?   ?    78.909   9.6051      ?      ? 
1 1 1  -14    2   22 o   98.103   6.4129  601.326   78.360  674.945  126.259  555.205   99.936  102.862   9.6657   93.344   8.4306 9.517586 12.82575 
1 1 1  -14    2   23 o  314.297   3.8491  6291.65  152.785  6196.83  227.446  6369.61  206.247  312.107   5.7385  316.487   5.1316 -4.380554 7.698290 
1 1 1  -14    2   24 o  157.838   4.8460  1577.98   96.065  1644.65  148.525  1530.03  125.960  160.657   7.2798  155.019   6.3984 5.637863 9.692019 
1 1 1  -14    2   25 o  115.512   6.4308  848.591   92.819  875.081  145.827  830.550  120.345  116.959   9.8181  114.064   8.3081 2.894508 12.86150 
1 1 1  -14    2   26 o  114.815   6.7665  831.779   96.963  909.229  154.594  781.551  124.495  119.088   10.222  110.542   8.8685 8.546410 13.53305 
1 1 1  -14    2   27 o  146.204   6.0090  1365.50  111.468  1438.01  161.525  1299.58  154.022  149.904   8.4850  142.503   8.5110 7.400955 12.01796 
1 1 1  -14    2   29 o  218.456   5.0119  3057.63  138.651  2961.57  201.891  3143.39  190.749  215.135   7.3897  221.777   6.7728 -6.641800 10.02387 
1 1 1  -14    2   30 o   65.426   13.014  272.187  117.555  447.178  183.049  149.357  153.359   80.106   18.383   50.745   18.426 29.36101 26.02828 
1 1 1  -14    2   31 o   63.983   13.255  284.353  115.632  349.004  169.248  227.760  158.352   70.089   18.677   57.877   18.812 12.21198 26.50916 
1 1 1  -14    2   32 o  100.268   9.8687  686.757  123.571  611.799  185.115  747.006  165.961   94.626   15.405  105.911   12.339 -11.28482 19.73732 
1 1 1  -14    2   33 o  214.317   4.7420  2958.55  128.054  2480.04  174.909  3511.29  187.988  195.522   7.0443  233.113   6.3502 -37.59030 9.484056 
1 1 1  -14    2   34 o   29.283   9.9553 -178.4537  108.303 -152.6273  155.627 -202.7075  150.814   30.434   14.511   28.131   13.633 2.302164 19.91062 
1 1 1  -14    2   35 o   49.105   13.096  179.508  116.126  253.521  159.311   95.598  169.627   55.200   18.889   43.010   18.143 12.19009 26.19131 
1 1 1  -14    4    2 o  622.692   5.1269 24630.25  405.317 24351.86  565.766 24923.79  580.945  619.081   7.1963  626.303   7.3042 -7.221497 10.25371 
1 1 1  -14    4    3 o  249.059   2.9613  3934.00   93.535  3839.26  128.381  4041.20  136.553  245.869   4.1117  252.250   4.2628 -6.381332 5.922608 
1 1 1  -14    4    4 o  486.043   4.2323 15003.00  261.191 15365.12  372.525 14652.86  366.313  491.811   5.9646  480.275   6.0060 11.53574 8.464513 
1 1 1  -14    4    5 o  334.244   3.3966  7087.27  143.915  6962.50  196.951  7230.23  210.808  331.094   4.6841  337.395   4.9201 -6.301239 6.793250 
1 1 1  -14    4    6 o   50.496   6.9105  168.080   42.626  160.114   62.034  175.206   58.672   49.272   10.248   51.720   9.2736 -2.447895 13.82096 
1 1 1  -14    4    7 o  179.731   3.2062  2053.88   73.020  2219.23  103.589  1890.58  102.944  186.930   4.3637  172.532   4.6985 14.39893 6.412302 
1 1 1  -14    4    8 o  284.334   3.2871  5136.09  118.652  5277.55  167.525  4993.70  168.075  288.264   4.5762  280.403   4.7200 7.861267 6.574224 
1 1 1  -14    4    9 o  1035.36   9.5016 66996.20  1056.45 65971.44  1202.07 70473.97  2214.46  1018.82   9.2909  1051.91   16.577 -33.09210 19.00329 
1 1 1  -14    4   10 o  612.600   5.8512 23614.28  392.062 23393.23  450.483 24304.57  796.075  606.862   5.8454  618.337   10.138 -11.47528 11.70242 
1 1 1  -14    4   11 o  236.792   3.5570  3566.73   99.155  3575.95  119.666  3546.52  177.115  237.293   3.9711  236.291   5.9024 1.002426 7.113927 
1 1 1  -14    4   12 o  489.421   4.9049 15321.26  271.506 15448.85  319.029 14986.13  517.049  493.195   5.0937  485.647   8.3837 7.548370 9.809775 
1 1 1  -14    4   13 o  589.995   5.7646 21696.31  371.993 21303.83  426.532 22943.37  760.306  579.148   5.7994  600.843   9.9644 -21.69537 11.52917 
1 1 1  -14    4   14 o  688.428   6.6631 29262.14  494.537 28534.52  562.399 31743.14  1038.50  670.233   6.6076  706.623   11.573 -36.39069 13.32630 
1 1 1  -14    4   15 o  307.653   6.0431  6011.94  236.101  6011.94  236.101   0.0000   0.0000  307.653   6.0431  ?   ?       ?      ? 
1 1 1  -14    4   16 o   83.999   10.076  461.211  100.572  473.599  126.710  440.119  165.335   86.309   11.561   81.689   16.506 4.619972 20.15153 
1 1 1  -14    4   17 o  161.456   5.4176  1672.63  105.433  1709.95  130.801  1603.41  178.144  164.069   6.2778  158.843   8.8313 5.225998 10.83522 
1 1 1  -14    4   18 o  211.265   4.5345  2850.83  118.113  2901.14  150.730  2770.78  190.121  213.708   5.5539  208.822   7.1693 4.885193 9.068899 
1 1 1  -14    4   19 o   93.525   8.1277  559.078   94.961  568.692  124.224  545.563  147.295   94.522   10.349   92.527   12.535 1.994820 16.25538 
1 1 1  -14    4   20 o  173.303   5.0764  1916.84  110.076  1948.04  144.486  1873.67  169.935  175.019   6.5007  171.587   7.7987 3.432297 10.15279 
1 1 1  -14    4   21 o  202.204   4.8324  2606.85  119.539  2620.66  150.334  2583.09  197.130  202.994   5.8317  201.414   7.7070 1.580734 9.664713 
1 1 1  -14    4   22 o  215.327   4.0021  2974.99  106.341  2835.54  169.849  3064.90  136.379  211.094   6.3359  219.561   4.8912 -8.467239 8.004246 
1 1 1  -14    4   23 f  194.633   5.2588  2409.51  129.982   0.0000   0.0000  2409.51  129.982  ?   ?   194.633   5.2588      ?      ? 
1 1 1  -14    4   24 o  272.570   4.0094  4747.20  134.248  4652.86  218.575  4804.35  170.117  270.305   6.3675  274.835   4.8741 -4.530518 8.018872 
1 1 1  -14    4   25 o   73.900   10.318  388.465   88.507  278.977  151.465  445.234  109.065   64.436   17.880   83.364   10.302 -18.92767 20.63579 
1 1 1  -14    4   26 o  105.909   7.0066  715.853   91.791  734.308  148.400  704.417  116.818  106.896   10.932  104.921   8.7674 1.975090 14.01330 
1 1 1  -14    4   27 o   29.305   9.7661 -143.3221   94.343 -164.2045  136.617 -124.2856  130.439   28.925   13.736   29.685   13.886 -0.7602100 19.53226 
1 1 1  -14    4   28 o   27.633   9.5107 -270.1424  108.128 -383.0821  166.837 -188.3459  141.983   26.523   13.145   28.744   13.748 -2.220520 19.02148 
1 1 1  -14    4   29 o   32.955   10.879 -134.1715  107.029 -105.4970  177.272 -150.6198  134.262   36.905   16.879   29.005   13.728 7.900229 21.75702 
1 1 1  -14    4   30 o  181.804   5.9287  2171.20  131.358  1958.79  212.479  2302.61  167.121  174.071   9.6119  189.538   6.9432 -15.46672 11.85736 
1 1 1  -14    4   31 o  114.665   8.2553  870.618  117.506  835.007  184.462  894.936  152.437  112.222   12.944  117.107   10.250 -4.885315 16.51056 
1 1 1  -14    4   32 o   36.976   11.437 -15.7868  105.183 -102.1629  160.120   49.780  139.505   33.868   15.687   40.085   16.648 -6.216705 22.87481 
1 1 1  -14    4   33 o   22.951   8.1675 -413.6016  105.409 -433.5175  162.177 -399.0340  138.703   24.078   12.088   21.825   10.987 2.252535 16.33494 
1 1 1  -14    4   34 o   48.475   12.720  162.059  106.469  230.429  154.800  100.683  146.670   54.188   18.618   42.763   17.337 11.42427 25.44021 
1 1 1  -14    6    1 o  467.488   4.9625 13807.90  278.077 13655.52  340.051 14115.47  483.128  463.658   5.7752  471.317   8.0718 -7.658905 9.925084 
1 1 1  -14    6    2 o  465.298   4.6185 13941.07  241.647 14164.07  283.546 13349.31  461.894  472.243   4.7280  458.353   7.9353 13.88907 9.237074 
1 1 1  -14    6    3 o  597.526   5.7011 22613.45  374.413 22540.41  431.870 22834.47  751.255  595.699   5.7088  599.353   9.8702 -3.653687 11.40229 
1 1 1  -14    6    4 o  820.926   7.6109 42279.46  675.938 41774.64  772.219 43933.73  1397.88  810.859   7.4992  830.993   13.246 -20.13446 15.22180 
1 1 1  -14    6    5 o  433.358   4.7268 11859.41  247.232 11705.52  304.412 12157.62  423.759  429.285   5.5839  437.431   7.6284 -8.145844 9.453664 
1 1 1  -14    6    6 o  687.743   6.4820 29672.97  484.637 29318.35  554.901 30813.31  995.052  679.355   6.4319  696.131   11.256 -16.77692 12.96391 
1 1 1  -14    6    7 o  484.912   4.7879 15146.47  263.724 15413.62  311.460 14469.75  495.707  492.628   4.9786  477.197   8.1799 15.43188 9.575877 
1 1 1  -14    6    8 f  443.453   4.5964 11982.01  220.099 11552.41  249.877 13469.05  464.895  426.493   4.6136  460.411   7.9512 -33.91800 9.192712 
1 1 1  -14    6    9 o  251.067   3.4499  3933.08  100.317  3836.13  118.775  4174.37  187.371  245.776   3.8055  256.358   5.7554 -10.58162 6.899754 
1 1 1  -14    6   10 o  1065.60   9.7332 71740.15  1133.16 71270.80  1302.28 73203.38  2299.40  1058.97   9.6838  1072.23   16.887 -13.25842 19.46644 
1 1 1  -14    6   11 o  463.806   4.7398 13634.65  248.000 13599.48  290.163 13730.00  477.715  462.742   4.9377  464.871   8.0921 -2.128479 9.479575 
1 1 1  -14    6   12 o  406.781   4.5057 10491.29  211.256 10464.82  250.582 10556.32  392.804  405.926   4.8610  407.635   7.5880 -1.709595 9.011476 
1 1 1  -14    6   13 o  486.582   5.4157 15144.54  327.929 15591.25  426.870 14501.30  512.237  495.424   6.7849  477.739   8.4431 17.68488 10.83145 
1 1 1  -14    6   14 o  144.958   5.7916  1331.21  105.428  1309.71  138.585  1360.74  162.436  143.580   7.6005  146.337   8.7407 -2.757736 11.58313 
1 1 1  -14    6   15 o  130.322   6.0122  1045.57   96.899  942.532  121.571  1225.07  160.455  121.798   7.8598  138.845   9.1001 -17.04625 12.02448 
1 1 1  -14    6   16 o  360.118   4.3425  8242.14  184.022  8249.08  221.915  8226.87  329.268  360.389   4.8488  359.847   7.2053 0.5424194 8.684932 
1 1 1  -14    6   17 o  304.343   4.1389  5863.61  152.305  5817.20  188.131  5951.90  259.453  302.625   4.8953  306.062   6.6753 -3.436493 8.277901 
1 1 1  -14    6   18 o  100.815   7.1778  663.475   89.459  749.901  119.115  551.655  135.489  108.573   8.6391   93.056   11.465 15.51684 14.35562 
1 1 1  -14    6   19 o  125.310   5.9503  996.355   93.975  973.029  124.784  1026.92  142.840  123.640   7.9473  126.980   8.8580 -3.340218 11.90059 
1 1 1  -14    6   20 o   96.439   7.3150  590.261   89.338  542.320  121.303  647.089  132.068   92.183   10.362  100.696   10.328 -8.513062 14.62999 
1 1 1  -14    6   21 o  253.517   4.3136  4094.90  137.422  4129.89  182.090  4048.59  209.461  254.815   5.6271  252.219   6.5395 2.595932 8.627262 
1 1 1  -14    6   22 o  185.304   4.9633  2187.76  115.938  2193.53  154.971  2180.43  174.724  185.616   6.5744  184.992   7.4374 0.6244202 9.926649 
1 1 1  -14    6   23 o  200.234   4.9192  2545.04  123.256  2500.25  160.471  2609.48  192.486  198.149   6.3772  202.320   7.4917 -4.171036 9.838406 
1 1 1  -14    6   24 o  111.664   6.3047  778.310   84.793  855.180  148.150  740.862  103.405  115.565   10.095  107.763   7.5560 7.802551 12.60946 
1 1 1  -14    6   25 o   88.417   8.2463  516.028   82.548  473.555  153.923  533.176   97.802   85.519   14.173   91.316   8.4338 -5.797241 16.49252 
1 1 1  -14    6   26 o   51.790   11.581  163.033   83.982  226.225  136.899  124.902  106.343   58.227   17.272   45.353   15.434 12.87457 23.16246 
1 1 1  -14    6   27 o  137.676   6.6268  1207.33  113.344  1264.12  181.851  1171.25  144.941  140.156   10.217  135.195   8.4421 4.960846 13.25358 
1 1 1  -14    6   28 o  173.013   5.3860  1967.88  112.318  1742.27  185.200  2099.14  141.261  164.703   8.8545  181.322   6.1347 -16.61957 10.77203 
1 1 1  -14    6   29 o  152.990   6.7694  1580.19  118.383  1344.24  212.389  1686.54  142.587  143.719   11.637  162.262   6.9197 -18.54330 13.53887 
1 1 1  -14    6   30 o  130.390   7.7854  1109.76  116.191  1113.51  217.467  1108.27  137.456  129.737   13.199  131.044   8.2598 -1.306961 15.57076 
1 1 1  -14    6   31 f   75.778   11.309  485.692  109.586  145.152  187.498  662.374  135.055   51.256   19.978  100.301   10.603 -49.04476 22.61737 
1 1 1  -14    6   32 o  282.491   4.6789  5165.81  165.490  5160.02  256.134  5169.96  216.824  281.902   7.1547  283.081   6.0314 -1.178040 9.357756 
1 1 1  -14    6   33 o   34.059   10.991 -49.1801  104.814 -39.4622  157.667 -56.8758  140.306   35.475   16.106   32.642   14.961 2.832554 21.98260 
1 1 1  -14    6   34 o   57.926   21.909  298.281  220.862  298.281  220.862   0.0000   0.0000   57.926   21.909  ?   ?       ?      ? 
1 1 1  -14    8    1 o  388.971   4.3567  9694.78  203.989  9881.80  252.496  9343.33  346.134  394.445   5.0407  383.497   7.1073 10.94766 8.713337 
1 1 1  -14    8    2 o  794.853   7.3139 40705.83  653.918 41356.00  767.473 38983.35  1249.18  806.804   7.4906  782.901   12.564 23.90222 14.62781 
1 1 1  -14    8    3 o  731.394   6.7623 34690.07  562.753 35604.30  666.911 32429.52  1048.69  748.629   7.0149  714.160   11.563 34.46912 13.52455 
1 1 1  -14    8    4 o  1110.51   10.070 78723.65  1237.72 78991.13  1435.24 77947.57  2444.76  1114.77   10.138  1106.25   17.402 8.520386 20.14003 
1 1 1  -14    8    5 o  712.643   6.7631 31303.26  513.480 30526.38  580.965 34076.58  1097.67  693.217   6.5994  732.068   11.807 -38.85120 13.52626 
1 1 1  -14    8    6 o  344.618   5.3329  7542.98  233.386  7542.98  233.386   0.0000   0.0000  344.618   5.3329  ?   ?       ?      ? 
1 1 1  -14    8    7 o  299.926   3.7169  5524.48  125.966  5313.91  146.326  6127.17  247.555  289.269   3.9833  310.582   6.2765 -21.31378 7.433772 
1 1 1  -14    8    8 o  1000.69   9.2373 62329.82  991.122 61200.66  1126.19 66208.32  2087.22  981.405   9.0362  1019.97   16.114 -38.56366 18.47469 
1 1 1  -14    8    9 o  350.442   4.2634  7832.55  180.136  7903.91  222.753  7697.71  306.224  352.776   4.9722  348.108   6.9270 4.668091 8.526806 
1 1 1  -14    8   10 o  586.021   5.8309 20988.90  367.643 20299.98  416.983 23394.18  779.143  565.337   5.8081  606.706   10.113 -41.36877 11.66182 
1 1 1  -14    8   11 o  690.051   6.9019 30653.58  581.991 31793.89  737.172 28766.81  948.237  707.397   8.2059  672.706   11.100 34.69080 13.80370 
1 1 1  -14    8   12 o  211.941   4.4117  2842.93  113.459  2818.66  140.710  2888.03  191.826  210.664   5.2597  213.218   7.0845 -2.553848 8.823465 
1 1 1  -14    8   13 o  483.168   5.0631 14849.23  282.330 14874.82  335.543 14787.17  522.452  483.934   5.4599  482.401   8.5283 1.532990 10.12629 
1 1 1  -14    8   14 o  173.975   5.5081  1922.51  121.693  1922.51  121.693   0.0000   0.0000  173.975   5.5081  ?   ?       ?      ? 
1 1 1  -14    8   15 f  515.470   5.2055 17232.77  314.036 17821.27  380.406 15973.56  556.447  529.656   5.6556  501.285   8.7410 28.37149 10.41109 
1 1 1  -14    8   16 o  201.216   4.2049  2597.07  105.122  2699.70  136.817  2449.17  164.242  206.133   5.2265  196.299   6.5885 9.833649 8.409835 
1 1 1  -14    8   17 o  368.822   4.3499  8660.34  190.715  8681.76  232.139  8615.86  334.515  369.610   4.9457  368.033   7.1573 1.577667 8.699837 
1 1 1  -14    8   18 o   94.354   7.1643  570.759   85.035  478.154  119.633  665.326  120.893   86.546   10.885  102.162   9.3182 -15.61628 14.32866 
1 1 1  -14    8   19 o  184.352   4.3633  2189.14  100.842  2411.90  137.026  1925.95  148.944  194.745   5.5406  173.959   6.7421 20.78589 8.726676 
1 1 1  -14    8   20 o  206.245   4.2467  2704.05  109.823  2691.11  144.141  2721.96  169.564  205.690   5.5182  206.799   6.4567 -1.108810 8.493464 
1 1 1  -14    8   21 o  231.679   4.3700  3387.00  127.080  3233.46  165.905  3604.99  197.679  225.415   5.7956  237.942   6.5420 -12.52673 8.739977 
1 1 1  -14    8   22 o  277.165   4.3609  4903.10  151.294  4961.60  198.559  4822.12  233.614  279.209   5.5999  275.120   6.6865 4.089111 8.721737 
1 1 1  -14    8   23 o   38.193   11.483  -6.8618   99.644   53.938  141.073 -67.3953  140.764   42.202   17.041   34.183   15.397 8.019344 22.96606 
1 1 1  -14    8   24 o   73.639   11.371  364.331  102.718  383.866  155.678  349.270  136.696   75.285   16.719   71.992   15.417 3.292686 22.74162 
1 1 1  -14    8   25 o   34.974   16.066 -349.1276   82.220 -111.7076  163.045 -430.0908   95.212   34.974   16.066  ?   ?       ?      ? 
1 1 1  -14    8   26 o   26.513   9.3126 -299.9973   98.253 -249.0557  181.418 -321.1411  116.878   32.107   15.405   20.919   10.468 11.18709 18.62514 
1 1 1  -14    8   27 o   45.607   12.047   50.035   90.687  229.425  172.870 -18.0796  106.522   59.383   19.673   31.831   13.909 27.55178 24.09324 
1 1 1  -14    8   28 o   65.533   12.389  297.920   97.375  281.117  189.794  303.923  113.443   64.196   20.569   66.871   13.816 -2.674896 24.77826 
1 1 1  -14    8   29 o   33.770   10.899 -64.6940   92.246 -46.2029  175.948 -71.7032  108.327   39.068   17.434   28.471   13.085 10.59726 21.79813 
1 1 1  -14    8   30 o   50.805   13.138  127.468  104.309  268.585  192.927   69.178  123.995   61.373   20.788   40.237   16.071 21.13561 26.27609 
1 1 1  -14    8   31 o  170.773   9.7376  1928.25  211.178  1928.25  211.178   0.0000   0.0000  170.773   9.7376  ?   ?       ?      ? 
1 1 1  -14    8   32 f   52.220   14.470  152.693  127.327  310.481  244.045   93.676  149.251   61.525   23.082   42.916   17.456 18.60902 28.93964 
1 1 1  -14   10    1 o  430.823   4.8153 11492.27  242.832 11050.44  288.953 12554.54  448.039  417.116   5.4550  444.530   7.9366 -27.41425 9.630516 
1 1 1  -14   10    2 o  404.405   4.4681 10123.52  200.620  9856.16  231.346 10934.29  402.864  393.947   4.6243  414.864   7.6467 -20.91684 8.936259 
1 1 1  -14   10    3 o  514.989   5.2055 16707.77  298.265 16559.22  345.737 17140.06  589.777  510.611   5.3318  519.367   8.9420 -8.756592 10.41097 
1 1 1  -14   10    4 o  130.959   5.0141  1043.01   79.892  939.824   97.786  1250.16  138.552  121.639   6.3303  140.279   7.7776 -18.64025 10.02813 
1 1 1  -14   10    5 o  663.759   6.4139 27366.50  463.061 26799.46  529.232 29218.24  956.380  649.544   6.4159  677.973   11.108 -28.42859 12.82788 
1 1 1  -14   10    6 o  460.115   5.0348 13745.14  285.358 14911.90  371.276 12061.08  446.050  484.528   6.0339  435.701   8.0615 48.82761 10.06959 
1 1 1  -14   10    7 o  437.014   3.9922 12121.13  221.401 12362.01  320.301 11900.74  306.379  441.167   5.7171  432.861   5.5736 8.305481 7.984357 
1 1 1  -14   10    8 o  313.985   3.4060  6257.42  135.750  6386.77  195.512  6137.01  188.633  317.116   4.8549  310.855   4.7784 6.261230 6.811963 
1 1 1  -14   10    9 f  1324.39   10.358 111611.10  1742.14 111664.00  2465.49 111558.30  2462.01  1324.70   14.656  1324.07   14.642 0.6247559 20.71667 
1 1 1  -14   10   10 o  392.267   3.7231  9769.73  185.433  9570.56  259.356  9978.02  265.227  388.178   5.2612  396.355   5.2693 -8.176880 7.446236 
1 1 1  -14   10   11 o  494.351   4.3226 15520.25  271.306 15700.96  388.629 15348.46  378.923  497.155   6.1555  491.546   6.0703 5.609436 8.645167 
1 1 1  -14   10   12 o  376.852   3.6455  8976.43  173.877  9551.12  259.190  8506.15  234.464  387.762   5.2635  365.941   5.0453 21.82040 7.291052 
1 1 1  -14   10   13 o  231.805   3.2633  3369.11   95.166  3731.35  147.306  3109.62  124.678  242.357   4.7862  221.254   4.4373 21.10306 6.526635 
1 1 1  -14   10   14 o   57.156   8.4047  206.728   62.024  356.339   93.762   90.321   82.705   74.803   9.8702   39.508   13.606 35.29542 16.80933 
1 1 1  -14   10   15 o  307.588   3.4378  6018.19  134.137  5884.88  192.969  6142.83  186.588  304.282   4.9938  310.895   4.7260 -6.613770 6.875572 
1 1 1  -14   10   16 o  493.360   4.3624 15483.34  273.296 15441.81  388.730 15523.94  384.307  492.699   6.2128  494.020   6.1257 -1.320984 8.724866 
1 1 1  -14   10   17 o  131.626   4.3731  1086.16   72.161  1200.22  113.394  1008.54   93.547  137.334   6.5018  125.918   5.8501 11.41650 8.746262 
1 1 1  -14   10   18 o  142.958   4.2940  1294.41   76.112  1327.93  122.311  1273.23   97.231  144.430   6.6685  141.485   5.4115 2.944199 8.587979 
1 1 1  -14   10   19 f   98.566   6.1449  641.096   71.414  559.991  122.588  682.760   87.863   93.587   10.315  103.545   6.6819 -9.957802 12.28980 
1 1 1  -14   10   20 o  154.732   6.8912  1525.51  135.410  1525.51  135.410   0.0000   0.0000  154.732   6.8912  ?   ?       ?      ? 
1 1 1  -14   10   21 o  125.691   6.3332  1011.14  100.948  977.291  145.019  1042.96  140.606  123.621   9.2376  127.761   8.6662 -4.140160 12.66631 
1 1 1  -14   10   22 o  181.089   4.8933  2086.48  112.076  2034.34  151.036  2150.37  167.191  178.609   6.6588  183.568   7.1720 -4.959427 9.786593 
1 1 1  -14   10   23 o   99.863   8.0565  615.026   99.641  524.344  125.107  772.331  164.775   90.283   10.912  109.444   11.856 -19.16111 16.11292 
1 1 1  -14   10   24 o  463.608   5.4398 13985.12  313.730 15292.82  417.088 12281.12  476.110  489.402   6.7109  437.813   8.5633 51.58966 10.87966 
1 1 1  -14   10   25 o   78.668   11.729  418.173  116.227  287.939  161.779  557.095  167.089   64.948   18.640   92.387   14.242 -27.43847 23.45757 
1 1 1  -14   10   26 o  105.838   8.7783  728.704  117.733  794.234  168.797  666.624  164.294  110.549   12.024  101.126   12.793 9.423012 17.55653 
1 1 1  -14   10   27 o   68.155   11.331  306.179   85.541  348.621  175.464  292.948   97.971   70.320   19.137   65.990   12.138 4.329964 22.66209 
1 1 1  -14   10   28 o   93.614   9.1227  531.126   92.942  683.662  198.503  488.297  105.185  100.582   15.541   86.646   9.5592 13.93559 18.24531 
1 1 1  -14   10   29 o   25.425   8.9655 -293.6262   99.899 -404.6366  191.427 -252.0777  117.112   28.411   14.081   22.439   11.102 5.972536 17.93103 
1 1 1  -14   10   30 o   30.673   14.673 -179.2859  161.862   0.0000   0.0000 -179.2859  161.862  ?   ?    30.673   14.673      ?      ? 
1 1 1  -14   12    1 o  282.439   4.0029  5057.21  135.084  5038.11  164.953  5096.10  235.378  281.648   4.6119  283.229   6.5441 -1.581360 8.005888 
1 1 1  -14   12    2 o  855.471   8.4172 46104.93  851.143 45362.76  1026.15 47741.47  1523.78  844.788   9.5650  866.155   13.853 -21.36713 16.83445 
1 1 1  -14   12    3 o  724.771   8.3135 33381.05  765.173 33381.05  765.173   0.0000   0.0000  724.771   8.3135  ?   ?       ?      ? 
1 1 1  -14   12    4 o  344.695   3.4511  7546.67  151.062  7506.72  214.038  7586.32  213.233  343.786   4.9026  345.605   4.8584 -1.818726 6.902160 
1 1 1  -14   12    5 o  388.919   5.2049  9607.64  257.069  9607.64  257.069   0.0000   0.0000  388.919   5.2049  ?   ?       ?      ? 
1 1 1  -14   12    6 o  326.782   3.3975  6776.28  140.897  6951.25  203.885  6616.34  194.932  330.815   4.8531  322.749   4.7560 8.065552 6.795021 
1 1 1  -14   12    7 o  184.572   3.2976  2165.82   77.217  2068.74  109.694  2261.18  108.715  180.467   4.7864  188.678   4.5372 -8.210739 6.595128 
1 1 1  -14   12    8 o  104.232   4.8492  688.538   64.030  717.054   94.592  664.422   86.989  106.216   7.0128  102.248   6.6993 3.968018 9.698431 
1 1 1  -14   12    9 o  615.866   5.1294 24110.80  401.104 24350.53  573.664 23881.51  561.039  618.855   7.2995  612.877   7.2085 5.978638 10.25885 
1 1 1  -14   12   10 o  345.108   3.5192  7564.90  154.179  7296.48  215.731  7845.13  220.430  338.852   5.0133  351.365   4.9401 -12.51306 7.038300 
1 1 1  -14   12   11 o  340.889   3.4862  7362.31  150.452  7668.36  223.365  7108.15  203.555  347.344   5.0638  334.434   4.7928 12.91080 6.972332 
1 1 1  -14   12   12 o  378.521   3.6588  9058.01  175.152  9648.82  262.513  8583.96  235.145  389.572   5.3062  367.470   5.0389 22.10248 7.317552 
1 1 1  -14   12   13 o   72.814   6.9123  363.058   58.390  256.958   89.739  440.953   76.892   62.401   11.756   83.227   7.2751 -20.82560 13.82463 
1 1 1  -14   12   14 o  194.832   3.3741  2414.70   83.188  2394.70  122.644  2431.73  113.212  194.075   4.9762  195.590   4.5579 -1.515335 6.748147 
1 1 1  -14   12   15 o  103.637   7.5019  684.192   98.733  684.192   98.733   0.0000   0.0000  103.637   7.5019  ?   ?       ?      ? 
1 1 1  -14   12   16 o  296.319   3.4386  5585.65  128.988  5558.25  189.871  5609.13  175.777  295.626   5.0575  297.012   4.6603 -1.386261 6.877261 
1 1 1  -14   12   17 o  257.402   4.9758  4214.29  162.648  4214.29  162.648   0.0000   0.0000  257.402   4.9758  ?   ?       ?      ? 
1 1 1  -14   12   18 o   70.787   8.1473  300.826   68.857  422.039  120.486  242.035   83.910   81.095   11.699   60.479   11.342 20.61591 16.29469 
1 1 1  -14   12   19 o   84.335   7.9218  513.384   73.152  324.029  119.864  625.773   92.344   69.633   14.040   99.038   7.3423 -29.40461 15.84353 
1 1 1  -14   12   20 o  233.635   3.7287  3460.34  108.306  3549.90  172.682  3402.27  139.057  236.053   5.7605  231.217   4.7358 4.835678 7.457301 
1 1 1  -14   12   21 o  126.823   5.4934  1035.39   86.205  994.864  136.946  1061.98  110.943  124.651   8.6512  128.995   6.7725 -4.343498 10.98679 
1 1 1  -14   12   23 o   78.807   9.2085  379.973   86.886  520.926  151.096  310.338  106.201   89.498   13.294   68.117   12.746 21.38111 18.41707 
1 1 1  -14   12   24 o   42.381   11.508   57.781   81.909  159.350  152.087   16.285   97.212   51.721   18.402   33.042   13.825 18.67901 23.01672 
1 1 1  -14   12   25 o   90.880   10.702  577.770  115.005  458.891  179.568  660.442  149.746   81.107   17.912  100.652   11.715 -19.54565 21.40318 
1 1 1  -14   12   26 o  115.874   7.5744  874.151  111.234  917.904  163.759  836.670  151.566  118.507   10.881  113.241   10.540 5.265457 15.14878 
1 1 1  -14   12   27 o   53.558   16.086  122.387  160.067 -205.7527  448.071  170.390  171.376   54.797   25.667   52.318   19.399 2.479267 32.17275 
1 1 1  -14   12   28 o   38.234   16.173   34.427  135.395   0.0000   0.0000   34.427  135.395  ?   ?    38.234   16.173      ?      ? 
1 1 1  -14   14    1 o  634.291   5.2654 25602.69  424.083 25287.11  594.628 25929.36  604.995  630.317   7.4286  638.264   7.4640 -7.947021 10.53074 
1 1 1  -14   14    2 f   39.763   9.5664   89.966   57.584  116.840   88.416   70.169   75.886   43.398   14.053   36.129   12.984 7.268635 19.13282 
1 1 1  -14   14    3 o  204.070   4.0003  2677.21   96.164  2568.93  169.970  2728.19  116.625  200.946   6.6606  207.194   4.4324 -6.247543 8.000631 
1 1 1  -14   14    4 o  265.203   3.2534  4459.10  109.392  4657.91  160.375  4286.12  149.595  270.713   4.6650  259.692   4.5361 11.02167 6.506770 
1 1 1  -14   14    5 o   76.480   7.0836  349.229   64.878  445.760  117.594  306.990   77.787   83.552   11.083   69.409   8.8251 14.14322 14.16726 
1 1 1  -14   14    6 o  281.706   3.2755  5038.88  117.091  5170.92  169.644  4918.74  161.818  285.223   4.6836  278.188   4.5805 7.035706 6.551063 
1 1 1  -14   14    7 o  242.225   3.2242  3724.30   99.094  3847.50  143.809  3612.92  136.739  246.031   4.6028  238.418   4.5162 7.613693 6.448390 
1 1 1  -14   14    8 o   34.315   9.1797   53.427   54.825   63.050   80.043   44.923   75.248   35.722   13.255   32.908   12.703 2.813725 18.35939 
1 1 1  -14   14    9 o  114.705   4.4509  833.700   64.670  886.100   95.719  789.693   87.719  118.004   6.3874  111.406   6.2002 6.597198 8.901757 
1 1 1  -14   14   10 o  160.364   3.6459  1631.52   74.144  1707.36  108.427  1564.91  101.615  163.854   5.2108  156.875   5.1006 6.979080 7.291718 
1 1 1  -14   14   11 o  274.897   3.3139  4799.79  115.557  4902.69  168.126  4707.64  159.092  277.681   4.7677  272.114   4.6038 5.567139 6.627707 
1 1 1  -14   14   12 o  212.144   3.4517  2859.70   92.752  2893.97  136.511  2830.31  126.411  213.314   5.0393  210.975   4.7182 2.338242 6.903357 
1 1 1  -14   14   13 o  232.630   3.3901  3442.77   99.991  3421.94  145.365  3461.47  137.759  231.952   4.9350  233.309   4.6495 -1.357864 6.780288 
1 1 1  -14   14   14 o  227.299   3.4618  3278.69   99.414  3360.23  149.101  3213.41  133.393  229.819   5.1088  224.778   4.6731 5.041092 6.923658 
1 1 1  -14   14   15 o  341.447   3.5766  7420.82  155.020  7314.25  221.487  7523.15  217.043  339.031   5.1444  343.863   4.9703 -4.832245 7.153199 
1 1 1  -14   14   16 o  181.262   3.9382  2096.66   89.366  2064.71  137.979  2119.75  117.292  180.025   6.0353  182.499   5.0609 -2.473465 7.876450 
1 1 1  -14   14   17 o  127.512   4.9175  1040.49   77.355  1024.63  124.722  1050.41   98.613  126.644   7.7550  128.381   6.0486 -1.736534 9.834928 
1 1 1  -14   14   18 o  134.331   4.9515  1160.42   83.700  1075.69  124.229  1230.87  113.269  129.749   7.5395  138.912   6.4208 -9.163406 9.903079 
1 1 1  -14   14   20 o  157.146   4.8978  1596.76   95.445  1483.45  149.180  1675.28  124.190  152.250   7.7157  162.041   6.0351 -9.790787 9.795609 
1 1 1  -14   14   21 o  220.789   3.9334  3117.57  108.445  3063.27  168.754  3155.77  141.539  219.053   6.0664  222.525   5.0086 -3.472961 7.866849 
1 1 1  -14   14   22 o   60.781   11.053  242.303   82.826  298.002  140.820  212.841  102.415   65.695   16.810   55.867   14.357 9.827446 22.10690 
1 1 1  -14   14   23 o   54.119   10.987  214.294   83.268   90.432  148.979  270.567  100.417   45.121   17.744   63.117   12.962 -17.99536 21.97397 
1 1 1  -14   14   24 o  108.022   10.798  723.238  121.389  903.928  273.729  679.005  135.435  114.088   18.893  101.956   10.460 12.13245 21.59542 
1 1 1  -14   14   25 o   52.787   14.324  170.324  129.376   8.7444  279.753  214.283  145.918   50.292   22.237   55.283   18.063 -4.990944 28.64898 
1 1 1  -14   14   26 f  ?   ?  -671.4466  170.418 -671.4466  170.418   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -14   16    1 o  198.562   3.3777  2505.09   84.852  2531.68  125.859  2482.94  114.887  199.515   4.9674  197.610   4.5781 1.905533 6.755304 
1 1 1  -14   16    2 o  415.965   3.8796 11003.01  204.845 11180.17  295.000 10838.05  284.665  419.189   5.5416  412.741   5.4310 6.447021 7.759188 
1 1 1  -14   16    3 o  249.140   3.3350  3948.30  105.273  3929.21  154.002  3965.05  144.236  248.562   4.8788  249.719   4.5482 -1.157074 6.670041 
1 1 1  -14   16    4 o   87.885   6.0407  498.916   65.340  656.697   94.148  352.304   90.755  101.514   7.3031   74.256   9.6241 27.25858 12.08134 
1 1 1  -14   16    5 o  228.150   3.3776  3308.34   97.614  3337.75  143.507  3283.01  133.167  229.081   4.9329  227.218   4.6150 1.862717 6.755170 
1 1 1  -14   16    6 o  141.681   4.0268  1276.79   72.304  1288.76  105.914  1266.34   98.948  142.293   5.8613  141.069   5.5233 1.224091 8.053637 
1 1 1  -14   16    7 o  327.262   3.5082  6807.89  145.633  6909.01  211.741  6717.12  200.621  329.554   5.0594  324.969   4.8614 4.585297 7.016438 
1 1 1  -14   16    8 o  172.533   3.7474  1894.75   82.021  1881.56  118.535  1906.86  113.610  171.948   5.4284  173.118   5.1677 -1.170166 7.494866 
1 1 1  -14   16    9 o  166.671   5.1877  1767.69  109.802   0.0000   0.0000  1767.69  109.802  ?   ?   166.671   5.1877      ?      ? 
1 1 1  -14   16   10 o  154.326   4.2074  1513.77   81.746  1539.76  124.515  1494.08  108.370  155.459   6.3071  153.193   5.5705 2.266098 8.414872 
1 1 1  -14   16   11 o  284.615   3.5064  5168.58  126.386  4906.37  182.547  5409.98  175.155  277.635   5.1775  291.595   4.7301 -13.95984 7.012868 
1 1 1  -14   16   12 o  176.160   3.7959  1960.98   84.265  2092.86  128.908  1862.58  111.348  181.270   5.5998  171.050   5.1260 10.22041 7.591722 
1 1 1  -14   16   13 o   59.249   9.5987  234.221   69.988  248.000  108.147  224.291   91.804   60.664   14.276   57.833   12.835 2.831341 19.19740 
1 1 1  -14   16   14 o   68.036   9.0201  315.636   74.647  200.550  106.718  425.883  104.451   54.638   14.948   81.433   10.100 -26.79499 18.04015 
1 1 1  -14   16   15 o  155.221   6.7966  1538.24  133.975   0.0000   0.0000  1538.24  133.975  ?   ?   155.221   6.7966      ?      ? 
1 1 1  -14   16   16 o  123.953   6.0181  1021.55   91.118  797.250  138.815  1191.35  120.780  111.358   9.8160  136.547   6.9652 -25.18845 12.03614 
1 1 1  -14   16   17 o  164.144   4.4630  1705.45   92.481  1853.45  140.395  1592.00  122.917  170.355   6.4896  157.933   6.1286 12.42236 8.926073 
1 1 1  -14   16   18 o   32.269   10.113 -41.5711   80.728   3.5593  128.865 -70.7233  103.570   36.585   15.637   27.953   12.828 8.632471 20.22544 
1 1 1  -14   16   19 o   73.097   9.1106  357.425   80.670  342.099  126.854  367.831  104.528   70.879   14.580   75.314   10.929 -4.434494 18.22117 
1 1 1  -14   16   20 o  154.362   4.7848  1491.44   91.689  1695.14  149.539  1368.73  116.067  162.501   7.2464  146.223   6.2505 16.27727 9.569671 
1 1 1  -14   16   21 o   75.983   10.925  507.312  109.854   56.642  192.353  725.452  133.825   46.412   19.435  105.553   9.9836 -59.14179 21.84932 
1 1 1  -14   16   22 o   60.668   13.804  256.959  114.873  274.406  206.921  249.186  138.111   62.246   21.517   59.090   17.299 3.155949 27.60865 
1 1 1  -14   16   23 o  186.397   6.0903  2100.19  138.512  1646.75  169.977  2996.41  238.967  158.820   8.4277  213.975   8.7942 -55.15541 12.18050 
1 1 1  -14   16   24 o   33.533   15.649 -108.9562  164.085 -108.9562  164.085   0.0000   0.0000   33.533   15.649  ?   ?       ?      ? 
1 1 1  -14   18    1 o  100.105   5.6468  638.877   71.643  667.145  105.426  614.621   97.657  102.145   8.1274   98.065   7.8417 4.079758 11.29366 
1 1 1  -14   18    2 o  177.565   3.7527  2019.83   83.887  1904.73  125.070  2113.95  113.099  172.900   5.6961  182.231   4.8872 -9.331238 7.505371 
1 1 1  -14   18    3 o   94.146   5.9957  558.080   71.077  642.111  109.458  496.812   93.463  100.165   8.6050   88.127   8.3514 12.03854 11.99131 
1 1 1  -14   18    4 o  348.416   3.6789  7730.48  162.696  7734.71  233.805  7726.52  226.542  348.492   5.2830  348.340   5.1212 0.1530151 7.357754 
1 1 1  -14   18    5 o  101.185   5.9937  661.003   76.221  604.430  113.142  708.012  103.136   97.118   9.1737  105.252   7.7162 -8.133881 11.98737 
1 1 1  -14   18    6 o  121.223   5.2981  939.250   81.249  935.428  120.143  942.472  110.294  120.962   7.8212  121.484   7.1492 -0.5225983 10.59629 
1 1 1  -14   18    7 o  119.771   5.3008  924.510   79.777  850.861  118.820  984.962  107.649  115.325   8.1131  124.217   6.8242 -8.891693 10.60154 
1 1 1  -14   18    8 o  105.530   6.6486  722.553   88.064  625.100  128.207  809.606  121.174   98.615   10.237  112.443   8.4858 -13.82811 13.29711 
1 1 1  -14   18    9 o  376.870   4.0362  9055.11  193.161  9132.74  272.671  8976.92  273.672  378.500   5.6728  375.239   5.7431 3.261261 8.072384 
1 1 1  -14   18   10 o  123.390   6.1281  975.785   95.976  1020.07  137.046  933.164  134.453  126.152   8.5545  120.629   8.7769 5.523018 12.25618 
1 1 1  -14   18   11 o   29.239   9.4652 -94.8521   82.974 -205.0326  128.210 -15.4463  108.842   26.052   12.612   32.426   14.117 -6.373550 18.93038 
1 1 1  -14   18   12 o  145.165   5.1909  1345.05   95.566  1442.88  138.743  1256.74  131.823  150.185   7.2745  140.144   7.4069 10.04108 10.38180 
1 1 1  -14   18   13 o  119.350   5.8051  942.345   85.203  734.792  127.156  1111.47  114.783  106.865   9.3697  131.835   6.8559 -24.97041 11.61013 
1 1 1  -14   18   14 o   61.451   9.8262  244.276   80.152  399.318  120.020  119.464  107.685   78.354   12.062   44.548   15.515 33.80534 19.65231 
1 1 1  -14   18   15 o  120.586   5.5256  923.631   82.999  985.697  132.604  883.653  106.424  123.766   8.4368  117.406   7.1380 6.360138 11.05127 
1 1 1  -14   18   16 o  141.520   7.5723  1287.31  136.088  1287.31  136.088   0.0000   0.0000  141.520   7.5723  ?   ?       ?      ? 
1 1 1  -14   18   17 o   85.515   7.7687  485.907   81.010  448.937  131.583  508.474  102.803   82.467   12.564   88.563   9.1406 -6.096107 15.53745 
1 1 1  -14   18   18 o  145.913   6.4425  1371.85  118.793  1546.02  178.565  1233.56  159.109  154.135   9.1226  137.689   9.0995 16.44601 12.88493 
1 1 1  -14   18   19 o   98.684   9.1694  661.121  112.915  620.711  173.001  691.110  149.037   95.440   14.274  101.929   11.514 -6.488586 18.33876 
1 1 1  -14   18   20 o  149.601   8.5377  1229.82  140.034  616.167  165.582  2770.99  262.409   94.733   13.764  204.470   10.106 -109.7365 17.07531 
1 1 1  -14   18   21 o   23.677   11.957 -515.8259  171.655 -515.8259  171.655   0.0000   0.0000   23.677   11.957  ?   ?       ?      ? 
1 1 1  -14   20    1 o  220.494   4.0628  3117.20  113.172  2936.62  165.657  3275.24  154.975  214.408   6.0840  226.580   5.3860 -12.17163 8.125510 
1 1 1  -14   20    2 f  271.527   3.6977  4708.31  127.034  4628.09  186.986  4777.09  173.121  269.320   5.4672  273.734   4.9802 -4.414368 7.395395 
1 1 1  -14   20    3 o  130.717   5.4428  1096.91   89.421  1085.98  136.200  1105.19  118.549  130.051   8.2468  131.384   7.1052 -1.333496 10.88552 
1 1 1  -14   20    4 o   27.206   8.9458 -117.0520   79.071 -243.6927  123.531 -29.1513  102.916   23.990   11.778   30.423   13.468 -6.433622 17.89161 
1 1 1  -14   20    5 f  131.917   5.2944  1125.31   87.699  1038.03  131.093  1196.00  117.990  127.135   8.1196  136.698   6.7968 -9.562691 10.58889 
1 1 1  -14   20    6 o  113.120   6.1044  821.058   87.496  857.367  129.037  790.155  119.043  115.398   8.8052  110.841   8.4572 4.556320 12.20882 
1 1 1  -14   20    7 o   75.540   9.1402  392.974   82.357  316.549  127.402  447.835  107.943   67.913   15.157   83.167   10.220 -15.25377 18.28049 
1 1 1  -14   20    8 o   49.645   11.545  160.314   83.934  153.870  127.046  165.305  111.810   49.366   16.869   49.924   15.766 -0.5571747 23.08909 
1 1 1  -14   20    9 o  159.109   4.6949  1614.55   94.257  1690.05  142.850  1556.33  125.440  162.321   6.9299  155.896   6.3361 6.424881 9.389898 
1 1 1  -14   20   10 o  189.176   4.3737  2293.24  104.018  2286.94  158.584  2297.99  137.803  188.830   6.6132  189.523   5.7256 -0.6932068 8.747378 
1 1 1  -14   20   11 o  128.091   5.6972  1055.17   92.218  1096.24  138.454  1022.41  123.633  130.240   8.3711  125.941   7.7302 4.299683 11.39434 
1 1 1  -14   20   12 o   40.471   11.162   71.217   82.354  111.704  127.676   42.372  107.770   44.639   16.705   36.303   14.807 8.336018 22.32338 
1 1 1  -14   20   13 o   85.673   7.7257  481.976   83.810  507.843  124.386  460.468  113.422   87.699   11.169   83.646   10.678 4.052521 15.45148 
1 1 1  -14   20   14 o   94.299   8.7881  542.859  100.402  824.481  175.242  405.241  122.502  110.862   12.447   77.736   12.409 33.12632 17.57628 
1 1 1  -14   20   15 o  ?   ?  -882.0197  124.943 -883.5454  159.460 -879.5934  201.083  ?   ?   ?   ?       ?      ? 
1 1 1  -14   20   16 o   40.591   18.134 -372.7621  132.712 -16.9065  190.941 -705.3254  184.587   40.591   18.134  ?   ?       ?      ? 
1 1 1  -14   20   17 o   33.195   10.952 -141.3660  120.928 -350.6541  192.981  -6.0514  155.173   29.191   14.407   37.200   16.499 -8.009005 21.90395 
1 1 1  -14   20   18 o   43.179   12.744   87.094  116.161   76.406  174.010   95.685  156.013   43.163   18.301   43.195   17.740 -0.3248596E-01 25.48775 
1 1 1  -14   22    1 o   88.066   8.2693  498.719   89.194  593.908  151.803  448.529  110.228   93.828   12.740   82.305   10.546 11.52370 16.53858 
1 1 1  -14   22    2 o   37.581   11.246   27.929   93.356 -29.5982  149.740   64.507  119.402   36.081   16.093   39.081   15.713 -3.000198 22.49225 
1 1 1  -14   22    3 o   40.951   11.758   69.384   93.921   62.735  151.171   73.565  119.862   42.013   17.380   39.889   15.842 2.123508 23.51677 
1 1 1  -14   22    4 o   74.598   10.386  379.955  102.845  735.293  156.529  110.035  136.424  104.761   11.766   44.435   17.118 60.32568 20.77174 
1 1 1  -14   22    5 o   24.055   8.5479 -372.3675  103.727 -391.7246  176.999 -362.2422  128.013   26.860   13.351   21.250   10.678 5.610174 17.09581 
1 1 1  -14   22    6 o   56.203   20.018  225.103  180.001  225.103  180.001   0.0000   0.0000   56.203   20.018  ?   ?       ?      ? 
1 1 1  -14   22    9 o  122.353   7.4927  1018.19  114.423  845.331  166.085  1174.35  157.865  111.595   11.719  133.110   9.3389 -21.51475 14.98537 
1 1 1  -14   22   10 o   79.706   9.9244  461.873   95.654  571.012  132.712  343.877  137.992   91.658   11.401   67.755   16.247 23.90380 19.84873 
1 1 1  -14   22   11 o   72.101   12.032  413.866  125.530  142.919  183.667  651.377  171.962   48.389   19.477   95.812   14.133 -47.42264 24.06457 
1 1 1  -14   22   12 o   36.927   11.876 -48.0565  122.791   30.441  180.463 -115.7291  167.558   40.888   17.979   32.967   15.522 7.921131 23.75227 
1 1 1  -14   22   13 o   61.677   14.066  311.404  127.304  418.631  191.948  227.201  170.096   69.960   20.369   53.393   19.403 16.56743 28.13122 
1 1 1  -14   22   14 o   42.919   12.899   91.433  122.263   55.687  195.842  114.262  156.509   42.328   18.667   43.509   17.807 -1.180840 25.79770 
1 1 1  -13    1    1 o   73.249   3.4825  342.444   31.966  414.028   45.838  274.671   44.601   80.740   4.4705   65.759   5.3409 14.98068 6.964928 
1 1 1  -13    1    2 o  537.629   4.4875 18327.76  305.983 19023.19  446.817 17713.63  419.888  547.211   6.4298  528.047   6.2616 19.16382 8.974940 
1 1 1  -13    1    3 o  544.894   4.5433 18851.56  314.261 19246.87  452.153 18482.15  437.094  550.415   6.4687  539.373   6.3813 11.04156 9.086528 
1 1 1  -13    1    4 o  481.916   5.8241 14753.07  356.430 14753.07  356.430   0.0000   0.0000  481.916   5.8241  ?   ?       ?      ? 
1 1 1  -13    1    5 o  431.615   3.8196 11827.02  209.296 12106.91  300.409 11563.02  291.760  436.574   5.4185  426.656   5.3848 9.918091 7.639119 
1 1 1  -13    1    6 f   99.988   3.6616  634.676   46.460  601.446   64.934  669.532   66.504   97.307   5.2547  102.668   5.1007 -5.361290 7.323183 
1 1 1  -13    1    7 o  378.002   3.5310  9075.81  169.496  9108.32  239.318  9043.10  240.091  378.682   4.9765  377.323   5.0106 1.359009 7.061946 
1 1 1  -13    1    8 o  480.867   5.9044 14688.82  360.561 14688.82  360.561   0.0000   0.0000  480.867   5.9044  ?   ?       ?      ? 
1 1 1  -13    1    9 o  259.126   3.1651  4263.98  104.125  4240.89  145.424  4288.28  149.158  258.407   4.4315  259.845   4.5202 -1.438446 6.330118 
1 1 1  -13    1   10 o  470.795   4.1976 14068.61  250.818 13777.85  347.621 14384.36  362.251  465.726   5.8776  475.863   5.9945 -10.13660 8.395191 
1 1 1  -13    1   11 o  872.020   6.9932 48274.10  773.602 47072.57  1064.91 49616.70  1125.69  860.559   9.7444  883.481   10.033 -22.92114 13.98647 
1 1 1  -13    1   12 f  229.976   3.5767  3355.97  104.401  3507.46  150.137  3214.12  145.274  234.997   5.0309  224.955   5.0853 10.04189 7.153344 
1 1 1  -13    1   13 o  561.483   5.9506 20194.82  407.103 19447.67  672.670 20626.65  511.392  553.161   9.5757  569.806   7.0672 -16.64502 11.90129 
1 1 1  -13    1   14 o  210.533   4.3812  2814.94  117.135  2814.94  117.135   0.0000   0.0000  210.533   4.3812  ?   ?       ?      ? 
1 1 1  -13    1   15 o  313.882   4.8934  6261.48  192.003  6276.05  250.525  6240.73  298.904  314.337   6.2759  313.428   7.5096 0.9089966 9.786789 
1 1 1  -13    1   16 o  159.670   6.6090  1733.69  109.700  1830.25  125.577  1422.62  225.396  169.752   5.8253  149.588   11.865 20.16428 13.21797 
1 1 1  -13    1   17 o  344.720   3.8754  7548.89  169.524  7511.91  244.215  7583.27  235.507  343.904   5.5919  345.537   5.3670 -1.633789 7.750733 
1 1 1  -13    1   19 o  357.170   5.2669  8103.16  238.893   0.0000   0.0000  8103.16  238.893  ?   ?   357.170   5.2669      ?      ? 
1 1 1  -13    1   20 o  160.794   4.3188  1625.42   87.705  1862.99  131.863  1436.94  117.450  171.219   6.0645  150.370   6.1506 20.84894 8.637589 
1 1 1  -13    1   21 o  313.243   3.7599  6231.27  149.442  6370.28  216.645  6105.09  206.411  316.569   5.3890  309.918   5.2445 6.650238 7.519705 
1 1 1  -13    1   22 o  324.259   3.7961  6679.96  156.220  6832.16  225.839  6540.31  216.324  327.793   5.4253  320.725   5.3112 7.068420 7.592277 
1 1 1  -13    1   23 f   49.751   10.871  159.249   75.729  144.258  112.312  171.747  102.547   48.310   15.850   51.191   14.883 -2.880863 21.74248 
1 1 1  -13    1   24 o   49.916   11.187  141.733   83.775  241.491  126.419   63.623  111.864   60.148   16.192   39.684   15.441 20.46406 22.37428 
1 1 1  -13    1   25 o  134.674   6.0388  1150.28  102.368  1213.27  157.149  1103.86  134.921  137.818   8.9790  131.531   8.0774 6.286087 12.07755 
1 1 1  -13    1   26 o   61.108   12.042  244.516   98.502  322.900  145.648  178.443  133.721   69.111   16.766   53.104   17.288 16.00669 24.08323 
1 1 1  -13    1   27 o  164.925   5.5977  1736.09  116.870  1553.19  162.075  1934.22  168.683  155.850   8.1890  173.999   7.6339 -18.14944 11.19536 
1 1 1  -13    1   28 f  226.049   7.2532  3264.93  208.213   0.0000   0.0000  3264.93  208.213  ?   ?   226.049   7.2532      ?      ? 
1 1 1  -13    1   29 o  117.976   7.8716  901.466  117.255  926.854  158.962  871.168  173.658  119.923   10.438  116.029   11.786 3.893517 15.74323 
1 1 1  -13    1   30 o  134.002   7.3838  1151.86  125.134  1271.27  187.467  1055.90  168.052  140.195   10.530  127.808   10.354 12.38701 14.76750 
1 1 1  -13    1   31 o   47.588   12.772   78.569  121.945 -117.9283  185.304  228.672  161.958   36.982   17.040   58.194   19.030 -21.21207 25.54441 
1 1 1  -13    1   32 o   77.069   12.324  435.799  121.205  302.126  182.768  540.735  161.935   64.568   20.121   89.570   14.236 -25.00182 24.64841 
1 1 1  -13    1   33 o  ?   ?  -683.2885  105.869 -691.1081  147.578 -674.9976  151.960  ?   ?   ?   ?       ?      ? 
1 1 1  -13    1   34 o   66.160   12.896  340.586  113.291  409.917  162.596  275.167  157.942   72.953   17.725   59.366   18.737 13.58691 25.79228 
1 1 1  -13    1   35 o   39.339   12.167   38.507  115.620   51.379  161.094   24.832  166.040   39.900   17.273   38.778   17.140 1.121593 24.33361 
1 1 1  -13    3    1 o  491.315   4.1915 15296.34  261.121 16015.73  382.464 14668.25  357.373  502.105   5.9982  480.524   5.8564 21.58093 8.383023 
1 1 1  -13    3    2 o  612.008   5.0402 23798.48  391.711 23743.18  551.585 23854.74  556.372  611.292   7.1054  612.724   7.1503 -1.431763 10.08031 
1 1 1  -13    3    3 o  866.750   6.8959 47762.19  759.031 47680.99  1070.79 47844.20  1076.10  866.011   9.7365  867.488   9.7681 -1.477417 13.79183 
1 1 1  -13    3    4 o  341.820   3.3127  7407.65  143.668  7783.25  208.425  7067.63  198.306  350.060   4.6885  333.580   4.6812 16.48047 6.625367 
1 1 1  -13    3    5 f   67.318   4.8493  281.268   40.566  209.775   53.446  378.426   62.306   57.458   7.3247   77.179   6.3569 -19.72149 9.698580 
1 1 1  -13    3    6 o  281.882   3.1457  5047.44  112.578  5097.12  157.969  4996.17  160.480  283.292   4.3910  280.471   4.5056 2.821228 6.291369 
1 1 1  -13    3    7 o  456.453   5.6924 13234.67  329.964 13234.67  329.964   0.0000   0.0000  456.453   5.6924  ?   ?       ?      ? 
1 1 1  -13    3    8 o  421.852   3.9047 11277.19  208.724 10927.94  284.214 11686.08  307.524  414.782   5.3957  428.922   5.6458 -14.13962 7.809495 
1 1 1  -13    3    9 o  298.688   3.3718  5664.22  127.611  5636.42  174.514  5696.17  187.078  297.903   4.6130  299.473   4.9191 -1.569733 6.743670 
1 1 1  -13    3   10 o  314.596   3.7921  6382.99  145.393  6655.29  183.805  5927.77  237.653  323.714   4.4711  305.478   6.1261 18.23529 7.584217 
1 1 1  -13    3   11 o  239.649   3.3737  3538.46   91.910  3410.93  107.204  3892.22  178.548  231.756   3.6425  247.541   5.6797 -15.78540 6.747413 
1 1 1  -13    3   12 o  618.187   5.9196 24164.33  403.443 24044.47  465.878 24523.78  806.772  615.250   5.9627  621.124   10.228 -5.873901 11.83925 
1 1 1  -13    3   13 o  529.688   5.1967 18131.93  314.106 18543.65  372.541 17119.54  584.182  540.332   5.4292  519.044   8.8627 21.28802 10.39344 
1 1 1  -13    3   14 o  430.838   5.0299 11668.21  266.914 11305.19  336.086 12288.27  439.233  421.880   6.2731  439.796   7.8644 -17.91641 10.05987 
1 1 1  -13    3   15 o  534.348   5.4410 18328.26  329.891 18565.63  388.862 17718.79  623.097  540.651   5.6637  528.045   9.2920 12.60620 10.88201 
1 1 1  -13    3   16 o  724.656   11.953 33388.01  1100.02   0.0000   0.0000 33388.01  1100.02  ?   ?   724.656   11.953      ?      ? 
1 1 1  -13    3   17 o  167.993   5.5616  1729.34  112.268  1608.62  136.004  1987.54  198.901  159.132   6.7300  176.855   8.8561 -17.72304 11.12311 
1 1 1  -13    3   18 o  633.287   6.2095 25425.73  440.399 25356.99  513.119 25618.00  858.174  631.794   6.3953  634.780   10.646 -2.986084 12.41899 
1 1 1  -13    3   19 o   81.237   10.223  449.443   96.221  495.784  119.833  365.339  161.437   88.281   10.689   74.193   17.430 14.08861 20.44655 
1 1 1  -13    3   20 o  214.642   3.8860  2930.32  104.817  2910.72  159.954  2945.08  138.763  213.998   5.8858  215.285   5.0755 -1.286835 7.772002 
1 1 1  -13    3   21 o  262.380   3.7256  4385.81  122.071  4324.78  190.139  4428.60  159.218  260.795   5.7411  263.966   4.7497 -3.170990 7.451158 
1 1 1  -13    3   22 o  227.903   3.9917  3283.74  113.141  3398.15  180.569  3209.79  145.173  231.118   6.1522  224.689   5.0878 6.429123 7.983427 
1 1 1  -13    3   23 o   61.571   9.8808  226.534   82.063  422.775  128.471   91.272  106.659   81.233   12.454   41.909   15.344 39.32441 19.76163 
1 1 1  -13    3   24 o  184.534   4.4560  2155.99  100.054  2209.84  168.450  2126.63  124.370  186.236   7.1224  182.832   5.3566 3.404312 8.911906 
1 1 1  -13    3   25 o  302.589   3.9913  5817.52  151.616  5899.02  233.459  5758.08  199.384  304.363   6.0401  300.815   5.2193 3.548615 7.982701 
1 1 1  -13    3   26 o   83.707   9.2777  439.052   96.467  514.960  157.537  393.514  122.019   89.246   13.900   78.168   12.292 11.07757 18.55534 
1 1 1  -13    3   27 o  133.126   6.1118  1146.79  102.012  1038.06  152.328  1235.19  137.363  127.240   9.4271  139.012   7.7811 -11.77151 12.22356 
1 1 1  -13    3   29 o  115.228   8.0410  863.648  116.197  824.830  176.532  893.322  154.347  112.745   12.330  117.711   10.325 -4.965469 16.08198 
1 1 1  -13    3   30 o   44.785   13.005   60.120  115.563   56.180  189.488   62.453  145.820   46.776   19.413   42.793   17.309 3.983047 26.00899 
1 1 1  -13    3   31 o   45.322   12.946   71.925  113.306  122.085  180.388   39.240  145.616   49.939   19.559   40.705   16.966 9.233395 25.89235 
1 1 1  -13    3   32 o   37.563   11.845 -46.8106  115.324   21.629  171.147 -103.7284  156.077   41.684   17.924   33.442   15.489 8.241844 23.68930 
1 1 1  -13    3   33 o  267.565   4.4418  4595.30  150.288  4958.35  225.572  4305.50  201.533  276.906   6.4147  258.225   6.1457 18.68100 8.883574 
1 1 1  -13    3   34 o   40.405   12.159   54.119  109.323   54.352  152.968   53.875  156.298   40.279   17.122   40.531   17.270 -0.2524643 24.31878 
1 1 1  -13    3   35 o   36.377   11.398  -5.6311  109.692   86.039  148.032 -117.2586  163.353   40.907   17.083   31.847   15.094 9.060081 22.79577 
1 1 1  -13    5    1 o  727.146   5.8891 33601.85  543.806 33689.90  769.076 33513.80  769.039  728.099   8.3177  726.192   8.3391 1.906921 11.77811 
1 1 1  -13    5    2 o  404.561   5.1913 10395.84  266.711 10395.84  266.711   0.0000   0.0000  404.561   5.1913  ?   ?       ?      ? 
1 1 1  -13    5    3 o  449.849   5.6312 12854.33  321.696 12854.33  321.696   0.0000   0.0000  449.849   5.6312  ?   ?       ?      ? 
1 1 1  -13    5    4 o  254.292   3.2252  4145.77   92.978  4194.19  109.502  4020.69  176.018  256.993   3.3552  251.592   5.5091 5.400620 6.450447 
1 1 1  -13    5    5 o  429.053   4.3871 11328.00  202.333 11022.70  229.687 12385.66  427.508  416.602   4.3415  441.505   7.6248 -24.90277 8.774210 
1 1 1  -13    5    6 o  342.933   3.7457  7577.22  146.275  7717.72  173.062  7225.80  273.702  348.604   3.9092  337.261   6.3905 11.34262 7.491355 
1 1 1  -13    5    7 o  425.485   7.4583 11502.43  402.998   0.0000   0.0000 11502.43  402.998  ?   ?   425.485   7.4583      ?      ? 
1 1 1  -13    5    8 o  103.075   3.7408  635.697   47.516  505.416   59.332  868.666   79.341   89.204   5.2376  116.946   5.3424 -27.74154 7.481534 
1 1 1  -13    5    9 o  606.261   5.8511 22508.95  376.796 21849.20  425.363 24913.23  812.014  586.497   5.7111  626.026   10.214 -39.52832 11.70217 
1 1 1  -13    5   10 o  422.356   4.3848 11301.49  208.759 11266.59  244.108 11396.50  402.770  421.185   4.5638  423.526   7.4886 -2.340485 8.769689 
1 1 1  -13    5   11 o  280.317   3.6263  4958.74  119.521  4907.01  143.638  5075.19  215.502  277.970   4.0690  282.665   6.0035 -4.694946 7.252503 
1 1 1  -13    5   12 o  233.292   3.5728  3565.02  100.399  3847.14  126.604  3086.97  164.805  246.128   4.0505  220.456   5.8867 25.67262 7.145597 
1 1 1  -13    5   13 o  970.857   8.8438 60605.61  964.701 61402.11  1130.67 58474.10  1849.65  983.025   9.0572  958.688   15.193 24.33704 17.68752 
1 1 1  -13    5   14 o  285.941   4.1751  5281.54  145.694  5540.09  184.855  4857.56  236.715  295.349   4.9285  276.532   6.7407 18.81772 8.350277 
1 1 1  -13    5   15 o  287.596   7.1300  5254.40  260.405   0.0000   0.0000  5254.40  260.405  ?   ?   287.596   7.1300      ?      ? 
1 1 1  -13    5   16 o  472.718   5.0132 14141.80  274.101 14065.40  325.691 14327.31  507.498  470.586   5.4499  474.850   8.4159 -4.264893 10.02639 
1 1 1  -13    5   17 o  275.501   4.9316  4820.73  172.540  4820.73  172.540   0.0000   0.0000  275.501   4.9316  ?   ?       ?      ? 
1 1 1  -13    5   18 o   64.910   11.429  265.155   95.247  176.760  124.442  390.185  147.999   52.966   16.619   76.854   15.695 -23.88786 22.85866 
1 1 1  -13    5   19 o  297.781   4.3038  5752.91  158.053  6220.54  205.791  5080.35  246.797  312.883   5.1792  282.680   6.8749 30.20361 8.607503 
1 1 1  -13    5   20 o  303.870   4.4213  5890.23  164.347  5939.28  206.811  5806.16  270.735  305.659   5.3279  302.081   7.0574 3.578827 8.842696 
1 1 1  -13    5   21 o  288.159   4.3339  5277.69  153.842  5263.81  195.038  5300.54  250.285  287.722   5.3379  288.595   6.8292 -0.8737793 8.667766 
1 1 1  -13    5   22 o  137.528   5.3077  1193.99   85.929  1233.42  154.896  1176.47  103.279  139.074   8.7703  135.982   5.9807 3.092209 10.61543 
1 1 1  -13    5   23 o  308.351   3.8842  6059.46  149.240  5994.66  234.259  6103.74  193.617  306.902   6.0106  309.801   4.9213 -2.899139 7.768342 
1 1 1  -13    5   24 o  160.993   5.0015  1634.01   95.129  1700.66  170.633  1603.95  114.589  163.242   8.2310  158.743   5.6842 4.499207 10.00297 
1 1 1  -13    5   25 o  282.146   3.9989  5032.83  138.361  5207.11  229.249  4932.97  173.529  285.862   6.3150  278.430   4.9077 7.432007 7.997804 
1 1 1  -13    5   26 o   92.981   7.6931  574.353   86.795  482.580  138.450  633.775  111.406   86.460   12.610   99.501   8.8166 -13.04121 15.38613 
1 1 1  -13    5   27 o  139.474   6.7357  1331.43  111.296  862.499  167.368  1703.17  149.018  115.667   11.394  163.282   7.1866 -47.61490 13.47135 
1 1 1  -13    5   28 o  116.836   7.7371  933.164  106.673  712.447  174.176  1065.64  134.942  104.715   13.098  128.956   8.2400 -24.24102 15.47420 
1 1 1  -13    5   29 o   35.156   11.317 -73.9960  103.932 -78.3272  182.868 -71.9294  126.316   38.802   17.506   31.511   14.348 7.290583 22.63498 
1 1 1  -13    5   30 o   47.198   13.208   75.789  112.234  175.414  196.874   27.823  136.606   55.380   20.740   39.017   16.361 16.36280 26.41659 
1 1 1  -13    5   31 o   72.317   12.677  387.806  114.165  315.067  191.370  427.997  142.251   66.022   20.592   78.612   14.792 -12.58957 25.35414 
1 1 1  -13    5   32 o   37.973   11.686   6.9533  103.667  -1.0044  164.540   12.191  133.495   39.296   17.226   36.650   15.795 2.646374 23.37127 
1 1 1  -13    5   33 o   68.313   11.875  358.739  104.264  267.141  153.659  436.899  141.940   59.015   18.459   77.612   14.943 -18.59705 23.74975 
1 1 1  -13    5   34 o   45.226   12.517  131.540  106.645   77.730  156.757  177.903  145.507   41.566   17.483   48.885   17.918 -7.318363 25.03391 
1 1 1  -13    7    1 o  401.302   4.1732 10266.45  187.341 10307.83  218.496 10151.59  364.027  402.871   4.2707  399.732   7.1711 3.138580 8.346491 
1 1 1  -13    7    2 o  368.205   4.2175  8612.79  188.799  8614.93  235.203  8608.90  316.576  368.291   5.0289  368.120   6.7719 0.1710815 8.434974 
1 1 1  -13    7    3 o  451.803   4.5819 12724.34  225.673 12501.28  258.381 13441.83  463.410  443.663   4.5860  459.943   7.9338 -16.28027 9.163888 
1 1 1  -13    7    4 f  939.435   8.5785 56322.05  892.851 56526.16  1035.91 55732.36  1760.77  943.130   8.6491  935.739   14.817 7.391907 17.15693 
1 1 1  -13    7    5 o  838.338   7.7297 44602.28  713.163 44520.20  823.465 44848.60  1426.46  837.070   7.7465  839.605   13.378 -2.534790 15.45936 
1 1 1  -13    7    6 o  583.982   5.6114 21555.93  361.954 21440.69  418.326 21899.17  721.957  580.991   5.6698  586.973   9.6854 -5.981689 11.22287 
1 1 1  -13    7    7 o  455.645   4.6464 12942.60  233.546 12700.60  268.883 13686.02  471.281  447.184   4.7348  464.106   7.9962 -16.92145 9.292890 
1 1 1  -13    7    8 o  248.395   3.4528  3860.79  100.382  3773.02  119.846  4067.10  183.751  243.746   3.8718  253.044   5.7182 -9.297745 6.905660 
1 1 1  -13    7    9 o  1175.16   10.743 86283.66  1356.35 84921.83  1543.42 90902.41  2842.38  1155.85   10.515  1194.46   18.738 -38.60974 21.48694 
1 1 1  -13    7   10 o  619.153   5.8976 24556.61  411.741 24796.05  483.126 23921.14  787.050  624.804   6.0889  613.501   10.102 11.30316 11.79517 
1 1 1  -13    7   11 o  352.551   4.6022  7893.56  206.047  7893.56  206.047   0.0000   0.0000  352.551   4.6022  ?   ?       ?      ? 
1 1 1  -13    7   12 o  1597.31   14.434 161694.20  2517.18 160814.80  2893.03 164434.30  5106.89  1589.95   14.328  1604.67   25.061 -14.71570 28.86757 
1 1 1  -13    7   13 o  1428.03   12.884 130264.90  2037.81 130661.60  2363.80 129116.80  4021.27  1433.36   12.986  1422.69   22.257 10.67566 25.76880 
1 1 1  -13    7   14 o  131.090   5.4485  1098.94   90.031  1169.15  122.696  1017.06  132.516  135.661   7.1219  126.519   8.2477 9.141525 10.89708 
1 1 1  -13    7   15 o  148.883   5.3838  1402.82  100.766  1446.18  154.883  1371.01  132.686  150.864   8.0842  146.902   7.1125 3.961975 10.76764 
1 1 1  -13    7   16 o  186.112   4.4390  2215.67  103.765  2318.60  138.852  2085.47  156.160  191.050   5.7230  181.175   6.7872 9.875153 8.878055 
1 1 1  -13    7   17 o  298.321   4.1422  5596.77  149.802  5465.36  184.934  5847.53  255.468  293.310   4.9649  303.332   6.6319 -10.02213 8.284496 
1 1 1  -13    7   18 o  175.313   4.7003  1964.55  102.775  2011.25  134.203  1898.30  159.823  177.872   5.9413  172.754   7.2851 5.117462 9.400562 
1 1 1  -13    7   19 f  167.298   4.8082  1785.90  101.718  1845.08  139.024  1717.73  149.219  170.307   6.4280  164.288   7.1522 6.018723 9.616329 
1 1 1  -13    7   20 o  191.089   4.5504  2316.39  109.759  2262.15  146.611  2385.55  165.556  188.570   6.1223  193.607   6.7336 -5.036774 9.100754 
1 1 1  -13    7   21 o  149.658   5.3932  1427.74  102.416  1450.87  142.679  1403.16  147.098  150.921   7.4445  148.395   7.8057 2.525681 10.78649 
1 1 1  -13    7   22 o  233.194   4.4823  3448.71  131.802  3355.06  175.209  3570.77  200.041  229.593   6.0093  236.795   6.6523 -7.202133 8.964591 
1 1 1  -13    7   23 o   79.071   10.097  412.361   98.647  457.022  137.716  365.298  141.372   84.310   12.863   73.833   15.568 10.47627 20.19427 
1 1 1  -13    7   24 o  116.960   6.4408  902.781   83.844  816.510  160.122  935.370   98.414  112.769   11.181  121.150   6.3967 -8.381195 12.88157 
1 1 1  -13    7   25 o  188.130   4.7612  2246.44  102.864  2285.24  192.844  2231.01  121.608  189.071   8.0316  187.189   5.1157 1.881729 9.522473 
1 1 1  -13    7   26 o   32.346   10.202 -79.3726   92.002 -227.4174  143.447   24.080  119.913   27.629   13.367   37.062   15.417 -9.433651 20.40499 
1 1 1  -13    7   27 o  113.574   6.7097  835.107   93.235  805.133  152.459  853.015  117.839  111.742   10.744  115.406   8.0405 -3.663055 13.41935 
1 1 1  -13    7   28 o  137.384   6.5147  1172.78  103.122  1314.95  196.410  1118.67  121.166  142.581   10.847  132.187   7.2180 10.39427 13.02932 
1 1 1  -13    7   29 o   58.276   13.159  204.976   99.034  296.393  196.843  173.995  114.593   65.520   20.943   51.033   15.937 14.48705 26.31724 
1 1 1  -13    7   30 o   78.673   11.598  381.848  103.845  589.060  198.944  304.246  121.748   91.247   17.808   66.099   14.865 25.14817 23.19646 
1 1 1  -13    7   31 o   80.743   10.904  584.886  106.599  141.377  183.903  809.305  130.818   50.342   19.740  111.144   9.2683 -60.80243 21.80774 
1 1 1  -13    7   32 o  ?   ?  -672.0294  107.657 -749.9261  170.053 -619.9281  139.075  ?   ?   ?   ?       ?      ? 
1 1 1  -13    7   33 o   49.801   20.671  152.126  214.896  152.126  214.896   0.0000   0.0000   49.801   20.671  ?   ?       ?      ? 
1 1 1  -13    9    1 o  697.997   7.0341 30316.59  576.003 29326.99  687.500 32647.17  1055.06  679.404   7.9683  716.589   11.594 -37.18500 14.06815 
1 1 1  -13    9    2 o  662.237   6.2529 27950.18  460.353 28039.21  534.995 27696.24  903.567  664.394   6.3408  660.079   10.779 4.314880 12.50589 
1 1 1  -13    9    3 o  545.118   5.3385 18716.35  321.867 18551.52  371.938 19207.91  642.296  540.450   5.4192  549.785   9.1995 -9.334900 10.67703 
1 1 1  -13    9    4 o  483.362   4.8574 14777.62  262.371 14707.49  305.160 14976.43  513.787  481.222   4.9935  485.502   8.3333 -4.279968 9.714839 
1 1 1  -13    9    5 f  260.232   3.6498  4258.15  113.454  4177.43  138.006  4426.44  199.269  256.475   4.2372  263.988   5.9440 -7.512878 7.299623 
1 1 1  -13    9    6 o  462.912   5.7527 13610.35  338.179 13610.35  338.179   0.0000   0.0000  462.912   5.7527  ?   ?       ?      ? 
1 1 1  -13    9    7 o  1097.71   10.618 76191.03  1383.46 75349.27  1676.15 77990.05  2450.40  1088.64   12.124  1106.78   17.434 -18.14343 21.23541 
1 1 1  -13    9    8 o  210.995   4.1174  2893.67  105.497  3079.37  133.645  2586.64  171.847  220.197   4.7793  201.792   6.7059 18.40504 8.234772 
1 1 1  -13    9    9 o  560.153   4.7565 19901.63  337.979 20534.46  492.244 19337.22  464.878  568.562   6.8175  551.744   6.6347 16.81763 9.513037 
1 1 1  -13    9   10 o  333.053   5.1364  7045.05  217.246  7045.05  217.246   0.0000   0.0000  333.053   5.1364  ?   ?       ?      ? 
1 1 1  -13    9   11 o  533.739   4.5845 18096.05  310.730 18078.24  441.257 18113.57  437.642  533.477   6.5133  534.000   6.4536 -0.5229492 9.169035 
1 1 1  -13    9   12 o  402.589   3.8117 10282.68  194.614 10510.16  283.870 10080.94  267.325  406.783   5.4951  398.395   5.2838 8.387970 7.623341 
1 1 1  -13    9   13 o  113.711   4.9329  817.174   69.983  844.042  110.562  799.212   90.399  115.257   7.5537  112.165   6.3464 3.091789 9.865861 
1 1 1  -13    9   14 o  408.063   3.8209 10574.88  197.903 10660.88  284.957 10494.74  275.059  409.663   5.4774  406.463   5.3288 3.199768 7.641845 
1 1 1  -13    9   15 o   85.889   6.2906  463.569   66.945  494.476  108.683  444.674   84.979   88.153   9.7084   83.625   8.0020 4.528618 12.58114 
1 1 1  -13    9   16 o  211.327   3.4684  2823.44   91.975  2929.82  142.578  2747.62  120.369  214.707   5.2291  207.947   4.5581 6.759979 6.936858 
1 1 1  -13    9   17 o  624.459   6.3807 25095.87  484.839 25747.73  608.901 23966.61  801.434  635.988   7.5391  612.930   10.296 23.05774 12.76131 
1 1 1  -13    9   18 o  172.125   3.7994  1885.22   81.879  1876.06  126.727  1891.78  107.276  171.745   5.8104  172.505   4.8969 -0.7600708 7.598736 
1 1 1  -13    9   19 o   74.981   8.0052  372.064   69.211  344.316  119.145  386.196   85.029   72.134   13.503   77.828   8.6030 -5.693764 16.01040 
1 1 1  -13    9   20 o  152.968   4.5017  1508.28   81.370  1437.79  142.723  1542.22   99.043  150.212   7.4819  155.724   5.0083 -5.511734 9.003459 
1 1 1  -13    9   21 o  199.485   3.8945  2475.03   94.056  2719.01  162.570  2352.27  115.316  206.650   6.1948  192.320   4.7216 14.33047 7.789039 
1 1 1  -13    9   22 o   34.144   10.533 -60.2731   89.111   49.134  136.703 -141.1138  117.509   41.335   16.745   26.952   12.782 14.38326 21.06599 
1 1 1  -13    9   23 o  110.144   7.5098  799.270  102.035  664.836  155.390  901.174  135.289  101.616   12.042  118.671   8.9772 -17.05544 15.01960 
1 1 1  -13    9   24 o   65.615   11.969  290.157  102.158  213.993  141.834  372.266  147.266   57.068   17.716   74.161   16.099 -17.09368 23.93780 
1 1 1  -13    9   26 o   65.806   11.288  297.788   87.804  278.868  161.541  305.722  104.605   64.004   18.701   67.608   12.649 -3.604080 22.57670 
1 1 1  -13    9   27 o   73.011   11.601  316.220   92.435  481.923  194.171  267.664  105.110   83.194   18.819   62.828   13.571 20.36600 23.20153 
1 1 1  -13    9   28 o   61.018   12.157  275.366   91.243  167.461  200.589  303.517  102.457   54.982   20.859   67.054   12.492 -12.07207 24.31361 
1 1 1  -13    9   29 o   84.226   10.708  553.908   92.105  363.932  182.312  619.012  106.726   70.732   19.613   97.721   8.6001 -26.98895 21.41545 
1 1 1  -13    9   30 o   42.316   12.583   46.359  111.329   88.568  183.003   21.561  140.271   46.527   19.173   38.105   16.301 8.422024 25.16605 
1 1 1  -13    9   31 o   41.554   12.841   16.977  131.335 -493.8132  323.374  117.876  143.723   38.163   18.799   44.945   17.499 -6.781433 25.68294 
1 1 1  -13   11    1 o  1109.51   10.699 78445.07  1423.96 78670.09  1748.75 78002.30  2453.06  1112.28   12.380  1106.75   17.454 5.530518 21.39864 
1 1 1  -13   11    2 o  1006.57   7.9630 64399.39  1017.74 63745.74  1424.69 65080.55  1454.36  1001.36   11.203  1011.78   11.319 -10.41711 15.92602 
1 1 1  -13   11    3 o  771.825   6.2258 37845.89  610.126 38259.98  872.326 37449.31  853.674  775.954   8.8525  767.696   8.7564 8.258484 12.45153 
1 1 1  -13   11    4 o  291.500   3.2990  5393.97  122.094  5542.44  174.821  5252.60  170.590  295.414   4.6600  287.586   4.6710 7.828247 6.597984 
1 1 1  -13   11    5 o  491.974   4.2860 15373.53  267.773 15281.37  377.608 15466.75  379.777  490.491   6.0622  493.457   6.0604 -2.966187 8.572010 
1 1 1  -13   11    6 o  312.448   3.3231  6198.57  131.837  6053.58  184.955  6348.34  187.972  308.734   4.7174  316.162   4.6817 -7.427765 6.646239 
1 1 1  -13   11    7 o  762.279   6.1615 36903.80  596.195 37594.13  858.527 36260.82  828.564  769.155   8.7895  755.403   8.6371 13.75232 12.32293 
1 1 1  -13   11    8 o  912.060   7.2552 52796.55  839.322 54490.58  1223.83 51292.25  1153.27  925.837   10.409  898.284   10.110 27.55243 14.51049 
1 1 1  -13   11    9 o  110.027   4.5452  762.131   63.198  871.940   94.308  672.626   85.143  117.157   6.3387  102.897   6.5158 14.25922 9.090391 
1 1 1  -13   11   10 o  332.101   3.4364  7006.30  144.891  6824.54  204.784  7188.50  205.031  327.786   4.9196  336.415   4.7992 -8.629730 6.872714 
1 1 1  -13   11   11 o  815.055   6.5525 42188.32  677.489 43449.17  986.211 41061.57  932.291  826.553   9.3955  803.557   9.1360 22.99615 13.10507 
1 1 1  -13   11   12 o  239.548   3.1916  3640.17   96.937  3735.35  141.841  3556.74  132.787  242.480   4.6063  236.617   4.4191 5.863266 6.383256 
1 1 1  -13   11   13 o  285.041   3.3053  5138.24  119.112  5411.99  178.746  4919.58  159.749  291.831   4.8231  278.252   4.5209 13.57913 6.610654 
1 1 1  -13   11   14 o  169.659   3.6425  1842.35   77.733  1723.50  116.004  1939.21  104.723  164.643   5.5482  174.674   4.7210 -10.03152 7.284940 
1 1 1  -13   11   15 o  335.978   3.4806  7175.55  148.329  7182.52  215.109  7169.24  204.808  336.124   5.0394  335.832   4.8023 0.2920837 6.961168 
1 1 1  -13   11   16 o  365.275   3.6208  8486.13  167.869  8404.01  240.683  8563.92  234.253  363.545   5.2133  367.006   5.0261 -3.460999 7.241561 
1 1 1  -13   11   17 o   96.406   5.7901  599.106   68.262  566.927  111.257  618.532   86.445   94.253   9.2952   98.560   6.9065 -4.307487 11.58016 
1 1 1  -13   11   18 o  266.355   3.4846  4536.48  116.814  4305.82  174.771  4722.73  157.047  260.170   5.2897  272.540   4.5375 -12.37021 6.969255 
1 1 1  -13   11   19 f  256.146   3.5616  4191.66  114.277  4060.06  175.262  4288.98  150.725  252.592   5.4638  259.700   4.5702 -7.108154 7.123153 
1 1 1  -13   11   20 o   53.354   10.519  180.367   70.710  221.550  123.216  160.145   86.343   57.631   16.175   49.078   13.453 8.552872 21.03831 
1 1 1  -13   11   21 o  203.561   4.0127  2643.77   99.529  2623.04  165.702  2655.48  124.488  202.846   6.4325  204.276   4.7988 -1.429855 8.025330 
1 1 1  -13   11   22 o   84.040   7.4477  425.136   76.823  581.237  130.470  342.291   95.048   95.075   10.806   73.006   10.252 22.06879 14.89538 
1 1 1  -13   11   23 o  198.337   7.0764  2512.78  178.236  2512.78  178.236   0.0000   0.0000  198.337   7.0764  ?   ?       ?      ? 
1 1 1  -13   11   24 o  236.778   4.2966  3597.96  124.448  3499.94  204.221  3655.86  156.957  234.035   6.8713  239.521   5.1601 -5.486099 8.593137 
1 1 1  -13   11   25 o   56.848   11.618  226.450   86.321  164.423  159.702  252.051  102.600   52.702   18.846   60.995   13.593 -8.292633 23.23695 
1 1 1  -13   11   26 f   82.382   10.819  461.164  109.938  416.292  161.239  500.149  150.289   77.538   16.856   87.226   13.568 -9.687843 21.63790 
1 1 1  -13   11   27 f   78.461   10.523  392.888   85.049  469.307  187.158  373.001   95.476   81.189   18.557   75.732   9.9274 5.456848 21.04577 
1 1 1  -13   11   28 o   61.880   18.799  157.133  105.152  245.960  703.244  155.102  106.347   75.965   34.296   47.795   15.406 28.16992 37.59754 
1 1 1  -13   11   29 o   97.117   10.836  629.076  133.642   0.0000   0.0000  629.076  133.642  ?   ?    97.117   10.836      ?      ? 
1 1 1  -13   13    1 o  181.936   3.2568  2092.25   75.027  2238.17  111.438  1971.28  101.469  187.709   4.6749  176.164   4.5356 11.54489 6.513574 
1 1 1  -13   13    2 o  346.332   3.4492  7614.99  151.637  7770.66  218.297  7469.83  210.793  349.749   4.9149  342.914   4.8405 6.834351 6.898332 
1 1 1  -13   13    3 o  428.637   3.8938 11673.40  211.950 11592.86  300.045 11753.62  299.440  427.160   5.5312  430.114   5.4821 -2.953705 7.787663 
1 1 1  -13   13    4 o  297.362   4.5865  5617.14  173.201   0.0000   0.0000  5617.14  173.201  ?   ?   297.362   4.5865      ?      ? 
1 1 1  -13   13    5 o  135.197   3.7832  1158.59   64.756  1195.60   95.977  1127.67   87.734  137.171   5.5097  133.222   5.1858 3.948532 7.566306 
1 1 1  -13   13    6 o  212.906   4.3612  2879.69  117.915   0.0000   0.0000  2879.69  117.915  ?   ?   212.906   4.3612      ?      ? 
1 1 1  -13   13    7 o  367.612   3.5559  8582.46  165.931  8753.72  238.931  8422.92  230.613  371.149   5.0693  364.074   4.9879 7.075562 7.111722 
1 1 1  -13   13    8 o  486.974   4.2762 15058.75  264.266 14572.30  365.478 15591.75  382.563  478.746   6.0114  495.202   6.0834 -16.45520 8.552462 
1 1 1  -13   13    9 o  317.440   3.3999  6405.65  136.990  6368.40  196.585  6440.82  191.002  316.537   4.8904  318.343   4.7246 -1.805237 6.799869 
1 1 1  -13   13   10 f  402.892   3.7863 10320.35  193.671 10319.63  277.132 10321.03  270.763  402.873   5.4168  402.912   5.2918 -0.3945923E-01 7.572610 
1 1 1  -13   13   11 o  180.034   3.3929  2057.47   77.387  2100.35  113.935  2020.75  105.441  181.767   4.9359  178.301   4.6567 3.466187 6.785827 
1 1 1  -13   13   12 o  293.196   3.3167  5465.65  123.352  5442.34  178.544  5486.94  170.617  292.589   4.8052  293.802   4.5729 -1.213043 6.633315 
1 1 1  -13   13   13 o  315.251   3.3999  6305.23  135.779  6501.02  200.313  6138.80  184.679  319.758   4.9330  310.743   4.6799 9.014618 6.799713 
1 1 1  -13   13   14 o  150.202   3.6955  1429.57   70.028  1479.92  106.023  1390.60   93.268  152.527   5.4737  147.877   4.9666 4.650101 7.391060 
1 1 1  -13   13   15 o  325.333   3.4818  6725.73  143.558  6817.11  210.462  6646.22  196.320  327.383   5.0622  323.283   4.7819 4.099609 6.963670 
1 1 1  -13   13   16 o  264.182   3.4296  4432.40  114.277  4496.15  172.518  4382.55  152.543  265.847   5.1100  262.517   4.5757 3.330200 6.859264 
1 1 1  -13   13   17 o  212.248   3.4792  2849.80   92.799  2975.33  143.204  2758.93  121.844  216.229   5.2151  208.268   4.6069 7.961411 6.958475 
1 1 1  -13   13   18 o  196.645   3.6650  2433.22   89.394  2589.68  144.615  2336.47  113.725  201.657   5.6471  191.633   4.6731 10.02405 7.329904 
1 1 1  -13   13   19 o   96.777   6.2168  621.209   72.240  525.298  118.298  678.243   91.224   90.461   10.298  103.094   6.9679 -12.63246 12.43355 
1 1 1  -13   13   20 o   62.039   9.5389  257.721   72.318  264.355  111.409  252.890   95.070   62.597   14.325   61.480   12.600 1.116291 19.07781 
1 1 1  -13   13   22 o   71.155   9.9796  319.885   83.470  419.331  145.425  271.027  101.933   78.826   15.077   63.483   13.079 15.34335 19.95928 
1 1 1  -13   13   23 o   66.076   10.761  287.449   82.981  325.978  151.187  270.837   99.270   68.727   17.327   63.425   12.767 5.301903 21.52232 
1 1 1  -13   13   24 o  188.887   4.6611  2301.69  103.682  2237.74  183.817  2331.53  125.563  186.646   7.7551  191.128   5.1732 -4.482529 9.322217 
1 1 1  -13   13   25 o   69.390   10.633  324.927   82.132  334.296  163.631  321.772   94.961   68.557   18.407   70.223   10.649 -1.665367 21.26523 
1 1 1  -13   13   26 o   49.937   15.181   83.527  121.631   30.654  369.796   89.941  128.797   57.321   25.445   42.553   16.566 14.76787 30.36249 
1 1 1  -13   13   27 o   25.343   12.759 -533.4506  187.383 -533.4506  187.383   0.0000   0.0000   25.343   12.759  ?   ?       ?      ? 
1 1 1  -13   15    1 o  407.312   4.6048 10522.82  226.146 10448.17  278.554 10667.15  387.333  405.338   5.4115  409.286   7.4521 -3.948090 9.209665 
1 1 1  -13   15    2 o   74.072   6.3402  364.718   57.101  263.384   84.911  448.378   77.151   64.225   10.411   83.919   7.2395 -19.69379 12.68043 
1 1 1  -13   15    3 o   52.920   8.9552  189.868   59.735  149.573   89.309  222.489   80.355   47.819   13.886   58.020   11.312 -10.20116 17.91034 
1 1 1  -13   15    4 o  404.469   3.7825 10403.62  194.281 10310.10  274.764 10497.13  274.747  402.648   5.3735  406.289   5.3250 -3.641235 7.565054 
1 1 1  -13   15    5 o  294.343   3.3006  5508.99  123.337  5358.13  174.612  5659.21  174.238  290.315   4.7362  298.370   4.5984 -8.055481 6.601281 
1 1 1  -13   15    6 o  190.257   3.9606  2239.94   88.763  2468.54  162.180  2142.18  106.057  196.942   6.4845  183.571   4.5494 13.37146 7.921291 
1 1 1  -13   15    7 o  240.507   3.2252  3676.97   98.297  3681.59  143.810  3672.92  134.665  240.639   4.7059  240.374   4.4115 0.2649841 6.450385 
1 1 1  -13   15    8 o   67.771   7.3044  307.618   59.189  241.066   88.781  360.865   79.412   60.311   12.014   75.230   8.3122 -14.91905 14.60886 
1 1 1  -13   15    9 o  318.840   3.4363  6465.03  139.053  6453.43  200.061  6475.86  193.408  318.555   4.9454  319.125   4.7724 -0.5700684 6.872590 
1 1 1  -13   15   10 o  419.216   3.9263 11181.29  208.964 11208.93  299.350 11155.01  291.834  419.711   5.6163  418.721   5.4882 0.9907837 7.852620 
1 1 1  -13   15   11 o  119.590   4.7164  927.841   70.107  809.032  106.438  1018.89   93.175  112.657   7.4398  126.523   5.7989 -13.86658 9.432804 
1 1 1  -13   15   12 o  237.543   3.3399  3591.48  100.580  3542.88  146.018  3635.34  138.743  236.001   4.8721  239.086   4.5696 -3.085602 6.679710 
1 1 1  -13   15   13 o  144.871   4.1672  1356.11   75.196  1218.02  114.674  1460.28   99.600  138.258   6.5312  151.483   5.1774 -13.22501 8.334435 
1 1 1  -13   15   14 o  171.368   3.6843  1866.54   79.477  1889.60  120.991  1849.04  105.408  172.271   5.5305  170.465   4.8693 1.806274 7.368574 
1 1 1  -13   15   15 o  119.339   4.8085  882.767   71.175  1026.57  116.712  797.622   89.808  126.821   7.2468  111.857   6.3222 14.96331 9.617023 
1 1 1  -13   15   16 o   55.221   10.138  207.823   71.676  179.166  110.390  228.710   94.244   52.073   15.524   58.368   13.043 -6.294724 20.27584 
1 1 1  -13   15   17 f  345.312   5.3478  7596.39  234.511   0.0000   0.0000  7596.39  234.511  ?   ?   345.312   5.3478      ?      ? 
1 1 1  -13   15   19 o  324.461   3.7570  6713.70  154.372  6666.41  226.502  6754.72  210.956  323.345   5.5160  325.578   5.1022 -2.232452 7.513953 
1 1 1  -13   15   20 o  168.293   4.7009  1813.43   96.768  1800.15  159.651  1821.14  121.663  167.650   7.4988  168.936   5.6710 -1.286026 9.401709 
1 1 1  -13   15   21 o   91.057   7.3602  527.483   83.213  581.041  134.978  494.648  105.686   94.573   11.239   87.541   9.5067 7.031799 14.72033 
1 1 1  -13   15   22 o   89.331   7.7935  496.284   83.586  594.430  149.191  451.382  100.911   95.176   12.344   83.487   9.5179 11.68874 15.58698 
1 1 1  -13   15   23 o   62.813   14.026  286.005  116.141  199.846  253.886  308.807  130.608   59.334   23.214   66.293   15.748 -6.958614 28.05128 
1 1 1  -13   15   24 o   52.252   13.615  172.104  116.765  186.962  188.027  162.777  148.970   54.216   20.276   50.289   18.176 3.927536 27.23011 
1 1 1  -13   15   25 o   84.436   13.973  491.380  149.831  491.380  149.831   0.0000   0.0000   84.436   13.973  ?   ?       ?      ? 
1 1 1  -13   17    1 o  247.285   3.3866  3900.63  106.047  3687.99  153.012  4097.18  147.109  240.761   5.0045  253.809   4.5641 -13.04791 6.773174 
1 1 1  -13   17    2 o  339.545   3.5538  7321.51  152.885  7529.62  225.208  7143.62  208.216  343.994   5.1553  335.096   4.8929 8.897919 7.107584 
1 1 1  -13   17    3 o   95.461   5.8167  598.708   68.419  485.333  103.467  686.807   91.207   87.120   9.3521  103.802   6.9190 -16.68219 11.63337 
1 1 1  -13   17    4 o  298.158   3.4714  5658.53  131.348  5574.33  188.477  5738.04  183.146  295.988   5.0142  300.329   4.8020 -4.340546 6.942757 
1 1 1  -13   17    5 o   66.170   8.1192  282.960   66.645  307.408  100.456  263.741   89.068   69.200   11.431   63.140   11.533 6.060608 16.23832 
1 1 1  -13   17    6 o  262.979   3.4135  4398.29  113.851  4435.74  165.579  4364.72  156.798  264.028   4.9383  261.930   4.7139 2.097717 6.826975 
1 1 1  -13   17    7 o  140.686   4.3201  1258.96   77.041  1292.69  113.003  1229.68  105.309  142.432   6.2475  138.939   5.9685 3.493439 8.640265 
1 1 1  -13   17    8 o  293.859   3.4412  5495.35  128.412  5420.79  181.245  5570.50  181.960  291.854   4.8902  295.863   4.8429 -4.008942 6.882404 
1 1 1  -13   17    9 o   78.892   8.5448  371.229   78.873  629.379  133.229  231.936   97.865   99.007   10.596   58.776   13.408 40.23081 17.08964 
1 1 1  -13   17   10 o  221.677   3.5966  3127.70  100.980  3142.62  148.466  3114.85  137.751  222.148   5.2627  221.206   4.9037 0.9417572 7.193161 
1 1 1  -13   17   11 o  282.696   3.5676  5080.21  127.657  5189.35  189.189  4988.98  172.969  285.452   5.2190  279.941   4.8654 5.510559 7.135144 
1 1 1  -13   17   12 o  203.868   4.0662  2659.27  104.852  2435.18  150.265  2871.92  146.377  195.423   6.0549  212.313   5.4290 -16.88965 8.132377 
1 1 1  -13   17   13 o  363.731   5.5888  8432.71  258.152   0.0000   0.0000  8432.71  258.152  ?   ?   363.731   5.5888      ?      ? 
1 1 1  -13   17   14 o   22.506   7.8483 -253.3762   79.844 -170.7652  115.158 -329.8548  110.801   25.234   12.150   19.777   9.9376 5.457163 15.69661 
1 1 1  -13   17   15 o  118.185   5.4666  901.004   80.840  850.900  123.456  938.612  106.960  115.194   8.4393  121.177   6.9506 -5.982437 10.93311 
1 1 1  -13   17   16 f  165.490   4.3484  1755.90   90.840  1675.84  134.199  1823.61  123.413  161.935   6.5258  169.046   5.7488 -7.110657 8.696806 
1 1 1  -13   17   17 o   80.338   7.9100  424.319   78.454  392.019  123.738  446.033  101.453   77.524   12.569   83.153   9.6075 -5.628632 15.82008 
1 1 1  -13   17   18 o   84.455   7.7419  465.801   81.381  452.226  127.341  475.173  105.807   83.202   12.052   85.708   9.7211 -2.505142 15.48379 
1 1 1  -13   17   19 o  291.557   3.6770  5419.52  135.097  5531.92  205.048  5333.30  179.585  294.116   5.4898  288.998   4.8932 5.117554 7.354062 
1 1 1  -13   17   20 o  142.143   6.6456  1318.15  114.534  1306.19  192.307  1324.72  142.579  141.108   10.732  143.179   7.8415 -2.071533 13.29124 
1 1 1  -13   17   21 o   53.929   13.494  189.963  121.689   86.021  181.361  275.077  164.116   46.471   19.111   61.386   19.057 -14.91463 26.98863 
1 1 1  -13   17   22 o  141.943   7.1429  1232.21  122.317  1024.62  147.456  1690.16  219.015  124.718   9.3101  159.168   10.835 -34.44963 14.28570 
1 1 1  -13   19    1 o  210.938   5.9222  2837.79  158.641   0.0000   0.0000  2837.79  158.641  ?   ?   210.938   5.9222      ?      ? 
1 1 1  -13   19    3 o  317.762   5.6087  6437.14  226.330  6437.14  226.330   0.0000   0.0000  317.762   5.6087  ?   ?       ?      ? 
1 1 1  -13   19    4 f  143.870   5.3862  1322.84   98.358  1365.49  141.836  1283.34  136.515  146.097   7.6448  141.642   7.5895 4.455353 10.77236 
1 1 1  -13   19    5 o  220.092   3.9407  3089.57  109.809  3070.94  161.449  3105.60  149.791  219.439   5.7935  220.746   5.3434 -1.306641 7.881408 
1 1 1  -13   19    6 o  174.185   4.3950  1937.28   97.047  1919.78  141.149  1952.97  133.650  173.410   6.4095  174.959   6.0152 -1.548843 8.790046 
1 1 1  -13   19    7 o  160.558   4.7606  1647.07   97.024  1640.59  139.128  1653.21  135.375  160.235   6.8372  160.881   6.6261 -0.6458435 9.521168 
1 1 1  -13   19    8 o  281.293   3.7764  5043.02  134.863  5092.15  193.380  4996.49  188.176  282.617   5.3881  279.969   5.2927 2.647278 7.552768 
1 1 1  -13   19    9 o  155.678   4.6245  1550.88   90.999  1522.35  134.684  1574.85  123.434  154.308   6.8731  157.048   6.1890 -2.739746 9.248945 
1 1 1  -13   19   10 o  101.575   6.8353  683.642   85.523  525.078  125.813  819.846  116.606   90.096   10.996  113.053   8.1219 -22.95730 13.67052 
1 1 1  -13   19   11 o   68.665   9.5857  308.900   82.002  490.651  124.108  168.077  109.244   86.991   11.234   50.340   15.535 36.65076 19.17140 
1 1 1  -13   19   12 o   62.692   11.713  275.899   91.532  242.516  161.103  291.812  111.228   59.878   18.926   65.507   13.806 -5.628902 23.42639 
1 1 1  -13   19   13 o   50.449   10.190  129.011   83.633  327.698  125.594 -29.2798  112.102   69.137   14.754   31.761   14.059 37.37593 20.37966 
1 1 1  -13   19   14 o  253.251   3.7737  4102.71  121.063  4042.12  176.821  4156.19  166.101  251.426   5.5379  255.076   5.1277 -3.650070 7.547322 
1 1 1  -13   19   15 o  203.262   3.9538  2647.34  101.771  2611.63  149.079  2678.51  139.273  201.910   5.8141  204.615   5.3598 -2.704483 7.907682 
1 1 1  -13   19   16 o   80.889   9.4140  435.429   87.766  468.151  156.850  420.513  105.896   81.720   15.684   80.057   10.416 1.663307 18.82790 
1 1 1  -13   19   17 f   50.016   11.312   91.645  108.000 -162.7565  151.468  354.736  154.033   30.301   14.411   69.731   17.439 -39.42968 22.62339 
1 1 1  -13   19   18 o   88.125   10.907  404.486  123.526   67.216  146.382  1238.71  230.218   41.672   17.157  134.577   13.471 -92.90497 21.81339 
1 1 1  -13   19   19 o   36.896   11.904 -178.9958  126.320 -352.5748  159.982  108.399  205.855   25.480   12.669   48.313   20.158 -22.83354 23.80848 
1 1 1  -13   19   20 o   30.553   14.527 -143.1610  153.698 -143.1610  153.698   0.0000   0.0000   30.553   14.527  ?   ?       ?      ? 
1 1 1  -13   21    1 o  198.343   4.1019  2515.06  102.708  2536.68  154.131  2497.80  137.747  199.030   6.0981  197.657   5.4877 1.372574 8.203788 
1 1 1  -13   21    2 f  129.972   5.6327  1087.98   92.278  1090.49  139.270  1086.02  123.202  129.992   8.4365  129.952   7.4655 0.4017639E-01 11.26538 
1 1 1  -13   21    3 o   42.218   10.813   90.476   81.554  -8.8117  124.025  166.108  108.246   34.737   15.097   49.699   15.485 -14.96128 21.62606 
1 1 1  -13   21    4 o  211.473   4.0864  2863.82  109.253  2844.44  162.026  2879.98  147.946  210.736   6.0544  212.211   5.4898 -1.475677 8.172722 
1 1 1  -13   21    5 o  100.936   7.1640  657.574   90.172  846.252  134.109  501.893  121.819  114.249   9.2433   87.622   10.948 26.62714 14.32798 
1 1 1  -13   21    6 o   40.141   11.050   75.194   80.976   55.032  124.223   90.092  106.780   39.424   15.966   40.857   15.280 -1.432747 22.09917 
1 1 1  -13   21    7 o   80.449   9.0063  452.179   85.518  355.954  132.598  520.709  111.901   71.515   15.075   89.382   9.8584 -17.86658 18.01261 
1 1 1  -13   21    8 o   38.908   10.974   61.615   82.234   19.988  130.232   89.219  106.051   37.273   15.819   40.542   15.215 -3.268990 21.94870 
1 1 1  -13   21    9 o   41.157   11.115   65.114   83.954  160.903  130.151  -3.1459  109.868   49.462   17.067   32.852   14.243 16.60987 22.22916 
1 1 1  -13   21   10 o   62.526   10.936  287.283   87.480  211.446  134.858  342.377  114.944   54.735   17.318   70.318   13.360 -15.58304 21.87230 
1 1 1  -13   21   11 o   63.323   10.667  291.433   96.155   99.243  140.641  460.116  131.760   43.959   17.255   82.687   12.548 -38.72819 21.33494 
1 1 1  -13   21   12 o   28.926   9.8554 -209.0956  109.071 -300.0250  163.351 -135.9424  146.516   27.358   13.454   30.493   14.405 -3.135080 19.71074 
1 1 1  -13   21   13 o   80.775   10.993  450.981  138.175  1027.53  203.156 -45.3082  188.486  122.484   13.061   39.067   17.686 83.41710 21.98574 
1 1 1  -13   21   14 o   69.611   13.412  375.844  121.121  400.251  182.844  356.758  161.684   71.230   19.598   67.992   18.315 3.237587 26.82406 
1 1 1  -13   21   15 o   53.501   13.020  212.952  115.087   96.264  173.260  305.091  153.960   44.682   18.555   62.319   18.271 -17.63673 26.04047 
1 1 1  -13   21   16 o   97.480   9.9729  680.050  118.842  843.832  176.471  544.129  160.762  109.606   12.678   85.355   15.398 24.25123 19.94577 
1 1 1  -13   21   17 o   86.457   15.744  571.177  166.492  571.177  166.492   0.0000   0.0000   86.457   15.744  ?   ?       ?      ? 
1 1 1  -13   23    1 o  160.828   5.0952  1702.57  103.120  1473.49  147.761  1920.07  143.979  149.836   7.7654  171.820   6.5985 -21.98381 10.19033 
1 1 1  -13   23    2 o   59.808   11.760  272.020   92.120  262.723  141.835  278.804  121.150   58.477   17.634   61.138   15.564 -2.661060 23.51969 
1 1 1  -13   23    3 o   29.937   9.8831 -103.9612   91.628 -30.2861  141.234 -157.5083  120.406   34.225   15.418   25.648   12.368 8.577240 19.76611 
1 1 1  -13   23    4 o  165.730   5.0732  1801.15  106.369  1714.71  154.791  1878.50  146.416  161.703   7.5379  169.757   6.7918 -8.054581 10.14633 
1 1 1  -13   23    5 o   62.149   11.559  294.206   91.726  290.775  142.150  296.655  120.067   61.207   17.442   63.091   15.172 -1.883560 23.11725 
1 1 1  -13   23    6 o   30.669   10.055 -73.2880   92.261 -62.1363  140.977 -81.6420  122.019   32.354   14.891   28.984   13.516 3.369259 20.11029 
1 1 1  -13   23    7 o   40.247   11.464   67.964   91.966  152.691  140.467   4.3987  121.668   46.799   17.521   33.694   14.791 13.10456 22.92893 
1 1 1  -13   23    8 o  202.707   4.4967  2686.93  114.862  2626.21  172.291  2735.51  154.106  200.276   6.7742  205.138   5.9155 -4.862183 8.993486 
1 1 1  -13   23    9 o   99.702   10.507  733.964  127.462  903.086  185.118  581.506  175.762  112.657   12.939   86.747   16.559 25.91090 21.01494 
1 1 1  -13   23   10 o  149.868   7.3451  1544.80  139.722  1600.50  197.894  1489.43  197.301  152.767   10.201  146.969   10.571 5.798615 14.69026 
1 1 1  -12    0    1 o  339.426   3.1610  7320.02  192.615  7320.02  192.615  7320.02  192.615  339.426   4.4703  339.426   4.4703 -0.000000 0.000000 
1 1 1  -12    0    2 o  911.542   7.2122 52810.75  1180.35 52810.75  1180.35 52810.75  1180.35  911.542   10.200  911.542   10.200 -0.000000 0.000000 
1 1 1  -12    0    3 o  606.861   4.9812 23400.71  542.735 23400.71  542.735 23400.71  542.735  606.861   7.0445  606.861   7.0445 -0.000000 0.000000 
1 1 1  -12    0    4 o  143.828   2.7311  1316.47   70.432  1316.47   70.432  1316.47   70.432  143.828   3.8624  143.828   3.8624 -0.000000 0.000000 
1 1 1  -12    0    5 o   37.921   8.3356  114.303   49.738  114.303   49.738  114.303   49.738   37.921   11.788   37.921   11.788 -0.000000 0.000000 
1 1 1  -12    0    6 o   53.892   6.4067  199.426   56.742  199.426   56.742  199.426   56.742   53.892   9.0604   53.892   9.0604 -0.000000 0.000000 
1 1 1  -12    0    7 o   71.177   5.2742  332.272   65.726  332.272   65.726  332.272   65.726   71.177   7.4588   71.177   7.4588 -0.000000 0.000000 
1 1 1  -12    0    8 o  599.378   4.9797 22828.10  535.872 22828.10  535.872 22828.10  535.872  599.378   7.0423  599.378   7.0423 -0.000000 0.000000 
1 1 1  -12    0    9 o  457.883   4.0592 13321.39  333.686 13321.39  333.686 13321.39  333.686  457.883   5.7406  457.883   5.7406 -0.000000 0.000000 
1 1 1  -12    0   10 o  221.577   3.2520  3121.85  129.284  3121.85  129.284  3121.85  129.284  221.577   4.5990  221.577   4.5990 -0.000000 0.000000 
1 1 1  -12    0   11 o  942.842   7.5000 56502.19  1269.61 56502.19  1269.61 56502.19  1269.61  942.842   10.607  942.842   10.607 -0.000000 0.000000 
1 1 1  -12    0   12 o  112.640   5.5782  817.683  111.572  817.683  111.572  817.683  111.572  112.640   7.8887  112.640   7.8887 -0.000000 0.000000 
1 1 1  -12    0   13 f  435.076   5.6247 12035.39  439.163 12035.39  439.163 12035.39  439.163  435.076   7.9545  435.076   7.9545 -0.000000 0.000000 
1 1 1  -12    0   14 o  766.228   9.0757 37340.62  1248.12 37340.62  1248.12 37340.62  1248.12  766.228   12.835  766.228   12.835 -0.000000 0.000000 
1 1 1  -12    0   15 o  156.360   3.7919  1558.05  106.197  1558.05  106.197  1558.05  106.197  156.360   5.3625  156.360   5.3625 -0.000000 0.000000 
1 1 1  -12    0   16 o  413.463   4.0331 10862.61  299.349 10862.61  299.349 10862.61  299.349  413.463   5.7036  413.463   5.7036 -0.000000 0.000000 
1 1 1  -12    0   17 o  634.479   5.3962 25579.45  614.687 25579.45  614.687 25579.45  614.687  634.479   7.6313  634.479   7.6313 -0.000000 0.000000 
1 1 1  -12    0   18 o  193.776   4.2165  2391.43  146.425  2391.43  146.425  2391.43  146.425  193.776   5.9630  193.776   5.9630 -0.000000 0.000000 
1 1 1  -12    0   19 o  180.283   4.2386  2071.04  136.893  2071.04  136.893  2071.04  136.893  180.283   5.9943  180.283   5.9943 -0.000000 0.000000 
1 1 1  -12    0   20 o   90.363   7.3658  539.347  115.409  539.347  115.409  539.347  115.409   90.363   10.417   90.363   10.417 -0.000000 0.000000 
1 1 1  -12    0   21 o  379.143   3.9832  9138.62  271.090  9138.62  271.090  9138.62  271.090  379.143   5.6331  379.143   5.6331 -0.000000 0.000000 
1 1 1  -12    0   22 o  108.509   6.0779  762.843  116.734  762.843  116.734  762.843  116.734  108.509   8.5955  108.509   8.5955 -0.000000 0.000000 
1 1 1  -12    0   23 o   82.706   8.7471  464.070  121.360  464.070  121.360  464.070  121.360   82.706   12.370   82.706   12.370 -0.000000 0.000000 
1 1 1  -12    0   24 o   72.627   11.215  381.093  128.127  381.093  128.127  381.093  128.127   72.627   15.861   72.627   15.861 -0.000000 0.000000 
1 1 1  -12    0   25 o   52.174   14.023  236.385  123.535  236.385  123.535  236.385  123.535   52.174   19.832   52.174   19.832 -0.000000 0.000000 
1 1 1  -12    0   26 o  184.971   4.7441  2185.24  157.127  2185.24  157.127  2185.24  157.127  184.971   6.7092  184.971   6.7092 -0.000000 0.000000 
1 1 1  -12    0   27 o  184.909   5.2855  2187.87  174.873  2187.87  174.873  2187.87  174.873  184.909   7.4749  184.909   7.4749 -0.000000 0.000000 
1 1 1  -12    0   28 o   15.641   8.1502 -498.6934  165.638 -498.6934  165.638 -498.6934  165.638   15.641   11.526   15.641   11.526 -0.000000 0.000000 
1 1 1  -12    0   29 o  182.391   6.1961  2137.76  201.895  2137.76  201.895  2137.76  201.895  182.391   8.7626  182.391   8.7626 -0.000000 0.000000 
1 1 1  -12    0   30 o   56.941   17.223  303.223  179.820  303.223  179.820  303.223  179.820   56.941   24.357   56.941   24.357 -0.000000 0.000000 
1 1 1  -12    0   31 o  176.922   6.3056  2019.30  199.195  2019.30  199.195  2019.30  199.195  176.922   8.9175  176.922   8.9175 -0.000000 0.000000 
1 1 1  -12    0   32 o   33.809   14.509   81.254  163.667   81.254  163.667   81.254  163.667   33.809   20.519   33.809   20.519 -0.000000 0.000000 
1 1 1  -12    0   33 o   36.965   14.735  132.424  149.244  132.424  149.244  132.424  149.244   36.965   20.839   36.965   20.839 -0.000000 0.000000 
1 1 1  -12    0   34 o   19.208   9.7233 -220.5645  155.182 -220.5645  155.182 -220.5645  155.182   19.208   13.751   19.208   13.751 -0.000000 0.000000 
1 1 1  -12    0   35 o   36.628   15.049  140.273  162.583  140.273  162.583  140.273  162.583   36.628   21.282   36.628   21.282 -0.000000 0.000000 
1 1 1  -12    2    1 o  305.626   3.0015  5925.53  116.407  5765.64  160.846  6101.38  168.680  301.303   4.2037  309.950   4.2854 -8.647156 6.003004 
1 1 1  -12    2    2 o  1103.76   8.6622 77478.80  1213.93 78478.29  1738.08 76526.89  1696.21  1110.70   12.322  1096.82   12.178 13.87207 17.32449 
1 1 1  -12    2    3 o  716.520   5.7819 32625.68  526.101 32786.23  746.107 32466.91  741.950  718.273   8.1796  714.767   8.1740 3.505859 11.56374 
1 1 1  -12    2    4 o  368.914   3.4184  8622.64  159.939  9095.88  233.481  8204.23  219.538  378.427   4.8584  359.402   4.8101 19.02548 6.836712 
1 1 1  -12    2    5 o  356.720   3.3824  8071.06  153.117  8417.49  221.470  7753.85  211.925  364.042   4.7906  349.397   4.7762 14.64496 6.764750 
1 1 1  -12    2    6 o  174.955   2.8902  1938.91   64.091  1866.08   87.420  2023.54   94.241  171.413   4.0159  178.497   4.1575 -7.083939 5.780334 
1 1 1  -12    2    7 o  499.122   4.3021 15757.94  271.965 16755.99  402.940 14922.83  368.585  513.572   6.1782  484.672   5.9884 28.89935 8.604129 
1 1 1  -12    2    8 o  386.493   3.6298  9467.78  177.959  9942.61  259.161  9044.13  244.797  395.643   5.1581  377.344   5.1085 18.29849 7.259641 
1 1 1  -12    2    9 o  408.997   3.8086 10619.88  197.699 10478.40  274.174 10773.11  285.337  406.163   5.3155  411.831   5.4558 -5.668304 7.617167 
1 1 1  -12    2   10 o  203.962   3.2884  2642.83   85.144  2721.14  120.328  2564.29  120.495  206.990   4.5776  200.934   4.7221 6.055527 6.576717 
1 1 1  -12    2   11 o  474.092   5.0586 14423.55  293.554 14846.10  371.824 13724.36  478.293  483.441   6.0564  464.743   8.1041 18.69785 10.11714 
1 1 1  -12    2   12 o   62.525   7.8885  263.279   57.179  284.402   70.835  223.775   96.871   66.900   8.3376   58.151   13.394 8.749420 15.77704 
1 1 1  -12    2   13 o  142.990   4.3634  1290.10   73.091  1276.56   87.576  1321.19  132.689  141.773   4.8642  144.208   7.2455 -2.435211 8.726879 
1 1 1  -12    2   14 o   99.509   6.4576  649.086   72.246  673.856   85.287  586.152  135.944  102.996   6.5206   96.022   11.148 6.973709 12.91525 
1 1 1  -12    2   15 o  226.562   4.4224  3197.60  115.493  3114.59  136.244  3409.54  217.713  221.454   4.8446  231.671   7.4001 -10.21738 8.844815 
1 1 1  -12    2   16 o  435.214   5.5479 12068.11  300.873 12217.31  390.848 11851.09  471.373  438.549   7.0180  431.879   8.5946 6.670624 11.09590 
1 1 1  -12    2   17 o  220.872   5.4980  3140.62  142.859  3212.05  173.228  2988.74  252.587  224.875   6.0660  216.868   9.1714 8.006577 10.99595 
1 1 1  -12    2   19 f  321.182   5.0150  6552.27  204.549   0.0000   0.0000  6552.27  204.549  ?   ?   321.182   5.0150      ?      ? 
1 1 1  -12    2   20 o  233.514   3.7654  3470.92  110.586  3418.01  167.809  3511.54  147.027  231.928   5.6975  235.101   4.9245 -3.173920 7.530769 
1 1 1  -12    2   21 o  290.665   3.7757  5379.92  138.573  5276.54  206.273  5464.95  187.075  288.098   5.6380  293.232   5.0237 -5.134766 7.551478 
1 1 1  -12    2   22 o   40.497   10.792   37.504   80.179  159.045  128.443 -40.0945  102.631   51.024   16.960   29.970   13.349 21.05320 21.58322 
1 1 1  -12    2   23 o  325.515   3.9038  6696.54  159.537  7014.25  247.277  6470.00  208.809  332.052   5.8641  318.978   5.1548 13.07388 7.807656 
1 1 1  -12    2   24 o   52.489   11.389  176.404   82.471  192.486  126.626  164.556  108.682   54.503   16.709   50.475   15.481 4.028564 22.77883 
1 1 1  -12    2   25 f  193.241   4.6788  2346.87  112.723  2541.90  180.113  2221.29  144.527  199.704   7.1020  186.778   6.0932 12.92604 9.357622 
1 1 1  -12    2   26 o  294.306   4.1270  5505.81  153.354  5613.55  230.548  5420.31  205.379  296.839   6.1159  291.772   5.5429 5.067413 8.253975 
1 1 1  -12    2   27 o  230.874   4.3875  3405.23  128.343  3167.02  182.606  3637.77  180.422  222.841   6.4527  238.908   5.9468 -16.06711 8.775051 
1 1 1  -12    2   28 o  466.352   6.7454 13884.99  399.482   0.0000   0.0000 13884.99  399.482  ?   ?   466.352   6.7454      ?      ? 
1 1 1  -12    2   29 o  143.083   6.6532  1320.77  120.417  1215.72  172.868  1419.80  167.834  137.441   9.9042  148.724   8.8863 -11.28305 13.30641 
1 1 1  -12    2   30 o   55.790   12.434  151.639  115.751  380.272  173.015 -33.6139  155.739   73.882   18.486   37.698   16.634 36.18346 24.86805 
1 1 1  -12    2   31 o   94.924   10.163  598.784  121.515  595.683  183.431  601.209  162.214   94.429   15.296   95.420   13.387 -0.9918442 20.32688 
1 1 1  -12    2   32 o   68.628   13.144  343.032  119.177  270.893  169.771  413.119  167.338   61.495   19.427   75.762   17.710 -14.26770 26.28834 
1 1 1  -12    2   33 o   40.366   11.860   32.607  105.144 -60.0382  147.664  127.886  149.749   34.044   15.506   46.688   17.949 -12.64420 23.71911 
1 1 1  -12    2   34 o   54.190   13.328  222.655  112.799  242.270  153.808  199.828  165.925   56.088   18.555   52.292   19.139 3.796379 26.65696 
1 1 1  -12    2   35 o   39.538   11.543   35.599  106.951  175.954  143.742 -138.4613  160.074   48.209   17.788   30.867   14.718 17.34213 23.08701 
1 1 1  -12    4    1 f  231.844   2.8421  3420.57   83.511  3601.37  116.752  3231.15  119.502  238.131   3.8607  225.556   4.1720 12.57553 5.684254 
1 1 1  -12    4    2 o  705.995   5.7314 31657.44  513.666 32345.28  738.892 31014.11  714.585  713.409   8.1558  698.582   8.0549 14.82678 11.46288 
1 1 1  -12    4    3 o  516.793   4.4167 16967.62  289.846 17021.73  407.959 16912.45  411.877  517.627   6.2062  515.959   6.2860 1.667664 8.833463 
1 1 1  -12    4    4 o  175.664   2.9686  1940.40   65.827  1789.23   87.440  2138.16  100.008  167.846   4.1023  183.482   4.2920 -15.63605 5.937190 
1 1 1  -12    4    5 o  191.020   3.0214  2312.05   73.120  2243.96   99.466  2392.11  107.857  187.968   4.1669  194.072   4.3763 -6.103683 6.042789 
1 1 1  -12    4    6 o  755.205   7.0508 35639.37  573.678 35103.62  653.691 37434.78  1196.67  743.312   6.9251  767.099   12.284 -23.78729 14.10165 
1 1 1  -12    4    7 o  315.134   3.5750  6127.32  124.241  5953.24  142.703  6672.52  252.549  306.173   3.6702  324.095   6.1362 -17.92133 7.150020 
1 1 1  -12    4    8 o  379.697   4.2086  9210.39  192.826  9329.17  238.902  8988.39  326.619  383.254   4.9086  376.139   6.8378 7.114532 8.417201 
1 1 1  -12    4    9 o  277.182   3.3937  4948.94  108.814  5051.72  130.178  4710.58  198.238  282.042   3.6345  272.322   5.7323 9.719757 6.787396 
1 1 1  -12    4   10 o  294.599   3.5251  5350.01  116.974  5171.67  135.765  5863.80  230.442  285.370   3.7463  303.829   5.9725 -18.45969 7.050188 
1 1 1  -12    4   11 o  646.905   6.1295 26459.95  437.546 26324.28  505.473 26865.42  873.862  643.745   6.1831  650.066   10.585 -6.320862 12.25894 
1 1 1  -12    4   12 o  370.333   4.0942  8727.90  174.655  8750.79  207.345  8671.99  324.066  371.198   4.3986  369.468   6.9068 1.729797 8.188492 
1 1 1  -12    4   13 o  519.820   5.1610 17166.41  302.170 17166.62  353.443 17165.84  582.506  519.887   5.3534  519.752   8.8252 0.1346436 10.32202 
1 1 1  -12    4   14 o  582.436   5.6786 21758.50  375.679 22020.21  443.021 21088.54  708.824  588.804   5.9248  576.067   9.6892 12.73712 11.35711 
1 1 1  -12    4   15 o  401.019   4.8862 10306.06  244.832 10782.84  323.165  9663.72  375.101  412.019   6.1763  390.018   7.5733 22.00079 9.772497 
1 1 1  -12    4   16 o  406.377   5.1107 10496.15  257.630 10514.53  330.815 10467.83  410.694  406.851   6.4028  405.903   7.9674 0.9482117 10.22135 
1 1 1  -12    4   17 o  462.252   4.9954 13319.02  261.503 13021.99  305.234 14138.60  507.020  452.797   5.3083  471.707   8.4640 -18.91043 9.990834 
1 1 1  -12    4   18 o  315.955   4.3862  6358.85  167.223  6397.52  206.813  6285.82  284.201  317.369   5.1314  314.541   7.1149 2.827972 8.772325 
1 1 1  -12    4   19 o  235.242   4.5513  3526.82  131.538  3557.95  166.561  3475.22  214.423  236.648   5.5423  233.835   7.2208 2.813248 9.102589 
1 1 1  -12    4   20 o  319.023   3.5006  6462.12  141.512  6545.59  207.697  6389.79  193.331  320.937   5.0960  317.109   4.8008 3.827454 7.001255 
1 1 1  -12    4   21 o  197.449   3.9974  2492.45   96.137  2431.05  159.509  2527.47  120.477  195.487   6.4253  199.410   4.7575 -3.922882 7.994864 
1 1 1  -12    4   22 o   71.075   8.8382  305.028   75.559  435.792  128.680  236.217   93.346   82.523   12.279   59.628   12.715 22.89432 17.67639 
1 1 1  -12    4   23 o  227.928   4.0967  3315.21  112.310  3274.39  192.089  3336.42  138.438  226.783   6.6698  229.072   4.7589 -2.288116 8.193493 
1 1 1  -12    4   24 o  378.659   4.1150  9153.85  196.250  8892.28  294.818  9361.98  262.982  373.724   6.2119  383.593   5.3985 -9.868805 8.229944 
1 1 1  -12    4   25 o   52.008   11.762  162.743   82.733  204.154  149.104  144.323   99.446   56.584   18.242   47.433   14.852 9.150772 23.52354 
1 1 1  -12    4   26 o  178.314   4.8112  1983.56  104.874  2189.36  177.437  1873.06  130.014  185.174   7.5455  171.454   5.9713 13.72083 9.622383 
1 1 1  -12    4   27 o  163.394   5.2311  1744.93  105.973  1453.06  159.046  1977.96  142.115  150.691   8.3111  176.096   6.3549 -25.40535 10.46227 
1 1 1  -12    4   28 o   82.677   11.348  465.219  115.421  383.519  170.540  534.272  156.787   74.709   18.154   90.645   13.620 -15.93566 22.69524 
1 1 1  -12    4   29 o  108.753   8.4089  752.409  111.877  820.306  188.327  715.380  139.077  112.209   13.216  105.298   10.401 6.911575 16.81786 
1 1 1  -12    4   30 o  197.916   5.6088  2573.23  135.490  2291.52  217.513  2751.83  173.194  188.501   9.0864  207.330   6.5780 -18.82896 11.21754 
1 1 1  -12    4   31 o   42.331   12.734   28.998  115.991   24.088  193.605   31.746  144.868   44.646   19.127   40.017   16.817 4.628628 25.46877 
1 1 1  -12    4   32 o   62.829   12.246  289.237  108.350  151.484  158.701  409.508  148.289   49.807   18.628   75.850   15.903 -26.04314 24.49285 
1 1 1  -12    4   33 o   46.461   12.423   81.471  111.486  262.522  168.346 -59.9574  148.789   58.937   19.408   33.985   15.513 24.95235 24.84594 
1 1 1  -12    4   34 o   56.489   13.034  248.528  108.479  304.859  158.553  198.952  148.743   61.628   18.658   51.350   18.207 10.27766 26.06884 
1 1 1  -12    6    1 o  342.607   3.7479  7409.88  142.067  7362.97  164.292  7548.94  282.862  340.499   3.7995  344.716   6.4615 -4.216858 7.495821 
1 1 1  -12    6    2 o  742.840   6.8715 35413.73  570.489 35794.42  666.219 34367.18  1104.61  750.598   6.9893  735.083   11.833 15.51563 13.74297 
1 1 1  -12    6    3 o  347.982   3.7591  7959.06  151.443  8390.09  183.018  7022.99  269.707  363.471   3.9650  332.493   6.3875 30.97723 7.518108 
1 1 1  -12    6    4 o  546.681   5.2902 18856.11  317.792 18725.80  366.186 19253.66  639.624  542.969   5.3107  550.392   9.1511 -7.422546 10.58047 
1 1 1  -12    6    5 o  633.256   5.9512 25835.66  424.553 26260.71  498.771 24717.67  808.914  642.964   6.1085  623.548   10.215 19.41559 11.90245 
1 1 1  -12    6    6 o  401.402   4.4927 10023.07  216.175  9619.41  262.661 10870.53  380.579  389.163   5.3148  413.641   7.2451 -24.47787 8.985464 
1 1 1  -12    6    7 o  660.961   6.2650 27378.75  451.426 27021.99  517.418 28515.86  923.755  652.215   6.2470  669.707   10.862 -17.49194 12.52997 
1 1 1  -12    6    8 f  548.395   5.5742 19294.89  371.097 19766.72  464.439 18461.75  617.157  557.816   6.5563  538.975   9.0167 18.84094 11.14841 
1 1 1  -12    6    9 o  403.160   4.4407 10188.02  212.158  9953.41  255.927 10703.46  379.342  395.868   5.0908  410.453   7.2776 -14.58423 8.881469 
1 1 1  -12    6   10 o  494.095   5.1830 15307.93  302.909 14968.01  364.869 16061.72  543.344  485.433   5.9188  502.758   8.5102 -17.32486 10.36604 
1 1 1  -12    6   11 o  411.669   4.3888 10460.90  203.024 10131.33  235.411 11417.58  401.083  399.405   4.6413  423.932   7.4501 -24.52673 8.777519 
1 1 1  -12    6   12 o  488.567   5.2362 15160.10  324.874 15160.10  324.874   0.0000   0.0000  488.567   5.2362  ?   ?       ?      ? 
1 1 1  -12    6   13 o  401.786   4.4609 10256.54  209.463 10260.44  251.166 10247.63  379.587  401.940   4.9206  401.632   7.4423 0.3079224 8.921891 
1 1 1  -12    6   14 o  877.953   8.5573 49486.49  914.902 50765.01  1149.93 47281.22  1510.24  893.730   10.132  862.176   13.793 31.55389 17.11469 
1 1 1  -12    6   15 o  341.193   4.2910  7351.27  175.929  7263.10  215.642  7526.76  304.226  338.170   5.0213  344.215   6.9597 -6.045135 8.582019 
1 1 1  -12    6   16 o  227.622   4.1685  3320.86  117.344  3430.72  151.157  3154.25  186.155  232.412   5.1214  222.831   6.5784 9.581467 8.336942 
1 1 1  -12    6   17 o  189.185   4.7824  2269.21  114.728  2450.44  166.133  2103.99  158.627  196.393   6.6612  181.977   6.8641 14.41530 9.564890 
1 1 1  -12    6   18 o  416.761   4.6725 10981.95  228.433 10892.26  274.159 11185.59  413.113  414.062   5.2139  419.460   7.7553 -5.397980 9.345036 
1 1 1  -12    6   19 o  283.414   5.1306  5104.75  184.656  5104.75  184.656   0.0000   0.0000  283.414   5.1306  ?   ?       ?      ? 
1 1 1  -12    6   20 f  190.397   4.6452  2307.21  111.440  2313.46  148.719  2299.21  168.291  190.715   6.1405  190.079   6.9718 0.6353760 9.290442 
1 1 1  -12    6   21 o  174.113   4.7849  1916.57  105.070  1826.65  139.321  2035.17  159.997  169.426   6.4753  178.800   7.0464 -9.373642 9.569778 
1 1 1  -12    6   22 o  260.580   3.5898  4334.70  117.165  4213.99  179.954  4423.52  154.367  257.384   5.5056  263.776   4.6083 -6.392456 7.179678 
1 1 1  -12    6   23 o  237.725   3.9447  3534.70  113.764  3800.45  194.888  3397.34  140.113  244.319   6.2813  231.130   4.7736 13.18884 7.889367 
1 1 1  -12    6   24 o  307.150   3.9796  6033.08  150.832  5886.25  242.480  6125.76  192.636  303.993   6.2811  310.308   4.8884 -6.315002 7.959182 
1 1 1  -12    6   25 f  112.109   6.4685  741.862   82.985  951.604  164.179  669.888   96.176  121.771   10.617  102.448   7.3924 19.32285 12.93694 
1 1 1  -12    6   26 f  120.693   6.5733  985.536   92.141  794.693  158.338  1083.25  113.300  111.106   11.222  130.279   6.8482 -19.17233 13.14652 
1 1 1  -12    6   27 o  291.123   5.5699  5402.51  205.920   0.0000   0.0000  5402.51  205.920  ?   ?   291.123   5.5699      ?      ? 
1 1 1  -12    6   28 o  114.857   7.2905  879.671  100.461  750.761  165.109  955.450  126.591  107.624   12.080  122.089   8.1648 -14.46539 14.58090 
1 1 1  -12    6   29 o   74.666   12.542  370.021  110.171  436.280  200.029  341.168  131.997   78.696   19.979   70.636   15.168 8.059853 25.08476 
1 1 1  -12    6   30 o  208.049   5.4921  2783.42  136.633  2795.89  237.156  2777.22  167.165  207.917   8.9819  208.182   6.3230 -0.2640991 10.98428 
1 1 1  -12    6   31 o   91.357   10.636  598.871  113.532  481.675  181.768  673.838  145.378   81.719   18.002  100.995   11.335 -19.27650 21.27292 
1 1 1  -12    6   32 o  112.760   9.7565  1258.41  123.941 -10.9085  189.556  2206.31  163.808   41.038   18.217  184.482   6.9920 -143.4441 19.51299 
1 1 1  -12    6   33 o   36.380   11.080 -21.7750  102.420 -172.3694  149.581  111.147  140.530   29.039   13.948   43.720   17.220 -14.68097 22.16050 
1 1 1  -12    6   34 o   37.805   16.360   39.809  144.403   39.809  144.403   0.0000   0.0000   37.805   16.360  ?   ?       ?      ? 
1 1 1  -12    8    1 o  525.804   5.1808 17209.44  294.326 16899.29  335.561 18243.86  612.820  515.820   5.1227  535.787   9.0066 -19.96716 10.36153 
1 1 1  -12    8    2 o  434.469   4.4508 11904.47  214.813 11813.82  248.871 12169.34  425.414  431.293   4.5439  437.644   7.6544 -6.350983 8.901511 
1 1 1  -12    8    3 o  248.656   3.6856  3929.99  115.015  3946.17  151.655  3908.10  176.460  249.264   4.7909  248.047   5.6019 1.216675 7.371162 
1 1 1  -12    8    4 o  697.979   6.4646 31717.53  517.975 32804.56  618.743 29171.38  946.959  718.597   6.7803  677.362   11.009 41.23553 12.92911 
1 1 1  -12    8    5 o  256.475   2.8570  4176.78   93.044  4126.56  130.529  4228.66  132.666  254.908   4.0322  258.042   4.0485 -3.133942 5.713949 
1 1 1  -12    8    6 o  760.866   6.1082 36778.21  590.092 37240.73  844.476 36336.89  824.900  765.536   8.6865  756.196   8.5899 9.340454 12.21646 
1 1 1  -12    8    7 o  743.089   5.9812 35085.66  564.420 35196.63  800.924 34976.18  795.525  744.256   8.4741  741.923   8.4434 2.332458 11.96247 
1 1 1  -12    8    8 o  579.299   4.8126 21314.07  353.998 21532.61  505.763 21104.18  495.649  582.209   6.8405  576.390   6.7714 5.818542 9.625235 
1 1 1  -12    8    9 o  948.908   7.5111 57228.95  905.091 56959.08  1274.23 57503.76  1285.83  946.653   10.599  951.164   10.645 -4.511353 15.02215 
1 1 1  -12    8   11 o  690.864   5.6495 30323.19  495.650 30176.60  699.429 30471.07  702.491  689.186   7.9915  692.541   7.9876 -3.354614 11.29896 
1 1 1  -12    8   12 o  520.351   4.5481 16959.96  297.683 18913.17  461.353 15566.71  389.647  545.654   6.6579  495.047   6.1979 50.60788 9.096276 
1 1 1  -12    8   13 o  476.567   4.2447 14426.36  256.884 14323.12  363.608 14529.25  362.970  474.864   6.0296  478.270   5.9761 -3.406189 8.489401 
1 1 1  -12    8   14 o  382.633   3.7295  9301.31  181.138  9217.34  259.454  9381.17  253.003  380.946   5.3631  384.320   5.1839 -3.374390 7.458949 
1 1 1  -12    8   15 o  758.992   6.1495 36611.54  592.709 36715.33  842.313 36509.74  834.181  760.055   8.7267  757.929   8.6667 2.126099 12.29909 
1 1 1  -12    8   16 o  548.365   4.6955 19104.09  326.864 19276.28  469.512 18942.16  455.324  550.757   6.7129  545.972   6.5671 4.784546 9.390920 
1 1 1  -12    8   17 o  463.008   4.1666 13593.94  244.352 14048.56  361.088 13209.87  331.889  470.120   6.0482  455.896   5.7326 14.22388 8.333258 
1 1 1  -12    8   18 o  183.405   4.5530  2154.06   94.468  2107.59  179.807  2171.78  111.027  181.956   7.7815  184.854   4.7296 -2.898224 9.106054 
1 1 1  -12    8   19 o  220.703   3.5953  3098.09   98.895  3089.97  155.463  3103.61  128.173  220.433   5.5536  220.973   4.5675 -0.5398865 7.190570 
1 1 1  -12    8   20 o   66.156   10.901  292.295   89.804  300.402  130.354  284.972  123.895   67.018   15.607   65.293   15.223 1.724831 21.80169 
1 1 1  -12    8   21 o  233.467   3.8940  3463.13  110.205  3482.62  186.248  3452.63  136.706  233.906   6.2701  233.029   4.6196 0.8777771 7.788074 
1 1 1  -12    8   22 o  248.759   4.3588  3960.84  136.177  4095.55  181.473  3787.23  206.022  253.681   5.6331  243.836   6.6533 9.844864 8.717695 
1 1 1  -12    8   23 o   33.323   10.565 -67.2150   92.722 -14.6523  139.310 -109.0194  124.238   37.119   16.066   29.527   13.725 7.591644 21.13031 
1 1 1  -12    8   24 o  152.271   5.1943  1549.42   88.918  1327.05  164.650  1640.97  105.649  143.995   9.0041  160.548   5.1818 -16.55310 10.38869 
1 1 1  -12    8   25 o   94.568   8.8848  623.922   89.614  503.707  167.283  672.306  106.127   86.619   15.789  102.518   8.1517 -15.89899 17.76950 
1 1 1  -12    8   26 o   68.537   14.657  317.480  123.707   0.0000   0.0000  317.480  123.707  ?   ?    68.537   14.657      ?      ? 
1 1 1  -12    8   27 o   68.076   11.369  342.734   93.160  214.393  175.889  392.776  109.831   58.192   19.848   77.961   11.094 -19.76866 22.73819 
1 1 1  -12    8   28 o   57.879   12.676  222.098   93.276  210.418  193.219  225.647  106.509   58.309   20.743   57.448   14.576 0.8607559 25.35180 
1 1 1  -12    8   29 o   60.323   12.478  240.895   93.339  280.446  180.761  226.515  108.994   63.412   20.048   57.233   14.863 6.178493 24.95677 
1 1 1  -12    8   30 o   36.340   11.307  -7.0226   95.864 -72.0597  177.232   19.874  113.975   37.540   17.056   35.139   14.850 2.401115 22.61473 
1 1 1  -12    8   31 o   31.774   15.129 -726.0611  120.315 -1308.9240  172.467 -173.4872  167.926  ?   ?    31.774   15.129      ?      ? 
1 1 1  -12    8   32 o   49.268   22.025   47.335  282.154   47.335  282.154   0.0000   0.0000   49.268   22.025  ?   ?       ?      ? 
1 1 1  -12   10    1 o  1337.57   10.459 113811.30  1776.44 114459.90  2528.18 113178.70  2496.66  1341.33   14.842  1333.82   14.740 7.510620 20.91752 
1 1 1  -12   10    2 o  612.501   5.0687 23828.38  394.210 24042.07  562.752 23622.50  552.386  615.196   7.2032  609.807   7.1330 5.388855 10.13736 
1 1 1  -12   10    3 o  417.820   5.4065 11087.65  286.867 11087.65  286.867   0.0000   0.0000  417.820   5.4065  ?   ?       ?      ? 
1 1 1  -12   10    4 o  702.616   5.7199 31334.12  509.996 32124.22  738.599 30614.15  705.056  711.069   8.1794  694.164   7.9981 16.90466 11.43988 
1 1 1  -12   10    5 o  457.939   4.0613 13318.22  236.155 13412.50  336.997 13227.25  331.029  459.530   5.7748  456.347   5.7121 3.183105 8.122535 
1 1 1  -12   10    6 o  595.106   4.9608 22485.02  374.755 22905.64  539.378 22092.48  521.065  600.481   7.0732  589.731   6.9576 10.75055 9.921617 
1 1 1  -12   10    7 o  426.005   5.5625 11526.55  300.927 11526.55  300.927   0.0000   0.0000  426.005   5.5625  ?   ?       ?      ? 
1 1 1  -12   10    8 o  700.480   5.7343 31175.36  510.099 31132.35  721.867 31218.24  720.911  699.997   8.1205  700.963   8.0986 -0.9661255 11.46863 
1 1 1  -12   10    9 o  1094.65   10.604 75644.98  1374.37 74602.52  1660.37 77913.69  2449.42  1083.18   12.071  1106.12   17.437 -22.94275 21.20756 
1 1 1  -12   10   10 o  353.692   3.5379  7939.81  158.850  7656.38  221.589  8239.45  227.836  347.203   5.0256  360.181   4.9811 -12.97876 7.075857 
1 1 1  -12   10   11 o  300.356   3.3392  5714.67  127.071  5937.89  187.484  5525.00  172.821  305.765   4.8284  294.946   4.6140 10.81903 6.678466 
1 1 1  -12   10   12 o  760.091   6.1453 36703.02  592.983 37274.39  852.028 36166.28  825.798  765.819   8.7609  754.362   8.6202 11.45776 12.29070 
1 1 1  -12   10   13 o  857.334   6.8590 46637.33  745.465 48449.56  1094.06 45066.83  1018.48  872.821   9.8705  841.846   9.5267 30.97546 13.71805 
1 1 1  -12   10   14 o   58.690   8.4663  220.243   60.371  281.378   94.910  178.698   78.240   65.457   11.854   51.924   12.091 13.53330 16.93262 
1 1 1  -12   10   15 o  162.344   3.7615  1674.90   75.956  1676.33  120.239  1673.94   97.982  162.385   5.8307  162.302   4.7538 0.8311462E-01 7.523033 
1 1 1  -12   10   16 o  324.359   3.4924  6678.31  143.447  6807.10  211.844  6569.25  194.939  327.232   5.0978  321.487   4.7748 5.744934 6.984730 
1 1 1  -12   10   17 o  336.129   3.5531  7159.42  151.024  7427.71  225.832  6942.37  203.127  341.792   5.2029  330.466   4.8402 11.32544 7.106178 
1 1 1  -12   10   18 o  151.257   4.0885  1451.10   76.825  1475.88  122.527  1435.05   98.618  152.290   6.3356  150.224   5.1694 2.065582 8.176910 
1 1 1  -12   10   19 o  326.917   3.6415  6808.64  150.153  6697.49  224.890  6898.04  201.695  324.472   5.4578  329.362   4.8222 -4.889282 7.282906 
1 1 1  -12   10   20 o  241.157   4.3581  3714.49  132.467  3808.30  178.100  3598.34  198.177  244.619   5.7332  237.695   6.5653 6.923965 8.716244 
1 1 1  -12   10   21 o  306.368   4.4632  5999.42  169.721  6078.54  218.849  5880.02  268.832  309.018   5.5768  303.718   6.9700 5.300537 8.926435 
1 1 1  -12   10   22 o  141.578   5.1440  1244.09   85.842  1372.56  156.643  1188.95  102.624  146.541   8.4173  136.615   5.9153 9.925293 10.28795 
1 1 1  -12   10   23 o  323.923   4.9313  6679.77  202.854   0.0000   0.0000  6679.77  202.854  ?   ?   323.923   4.9313      ?      ? 
1 1 1  -12   10   25 o   23.849   8.4351 -183.4334   67.589 -228.3735  160.219 -173.7045   74.547   29.934   14.393   17.764   8.8011 12.16958 16.87023 
1 1 1  -12   10   26 o  135.395   6.9729  1242.91   96.176  1077.72  205.515  1289.23  108.829  128.701   12.574  142.089   6.0312 -13.38763 13.94587 
1 1 1  -12   10   27 f  102.571   8.1468  719.073   87.210  623.848  179.873  748.336   99.713   97.134   14.582  108.008   7.2698 -10.87357 16.29365 
1 1 1  -12   10   28 o   69.870   10.002  317.832   88.749   0.0000   0.0000  317.832   88.749  ?   ?    69.870   10.002      ?      ? 
1 1 1  -12   10   29 o  113.406   7.8616  893.898   98.529  756.358  185.106  948.272  116.387  105.780   13.780  121.032   7.5723 -15.25197 15.72323 
1 1 1  -12   12    1 o  550.633   4.6646 19250.46  326.077 18869.40  454.185 19655.79  468.431  545.014   6.5622  556.252   6.6313 -11.23834 9.329288 
1 1 1  -12   12    2 o  657.046   5.3997 27404.43  450.282 26761.36  623.792 28104.07  650.648  649.008   7.5685  665.083   7.7036 -16.07495 10.79943 
1 1 1  -12   12    3 o  504.242   4.3530 16148.95  278.727 15956.28  391.558 16346.87  396.854  501.193   6.1520  507.290   6.1602 -6.096771 8.706027 
1 1 1  -12   12    4 o  555.701   4.6879 19603.94  330.685 19174.92  459.636 20064.28  476.117  549.404   6.5879  561.997   6.6712 -12.59332 9.375733 
1 1 1  -12   12    5 o  488.706   4.2552 15165.13  264.009 15410.00  378.901 14934.07  368.064  492.537   6.0577  484.874   5.9775 7.663025 8.510347 
1 1 1  -12   12    6 o  687.783   5.6190 30053.42  490.707 30370.93  701.232 29748.74  686.919  691.340   7.9872  684.227   7.9055 7.112915 11.23794 
1 1 1  -12   12    7 o  476.563   4.1854 14423.75  253.270 14191.35  354.751 14665.35  361.705  472.649   5.9103  480.477   5.9279 -7.827972 8.370885 
1 1 1  -12   12    8 o   63.425   7.6102  262.694   57.746  382.203   85.106  160.733   78.610   77.540   8.6429   49.310   12.528 28.23022 15.22037 
1 1 1  -12   12    9 o  756.025   6.1191 36343.93  587.479 36449.37  834.356 36240.26  827.331  757.109   8.6779  754.940   8.6296 2.168762 12.23828 
1 1 1  -12   12   10 o  331.635   3.4244  6989.76  144.160  6893.91  205.920  7081.90  201.886  329.402   4.9226  333.869   4.7616 -4.467499 6.848711 
1 1 1  -12   12   11 o  281.303   3.2835  5009.54  116.844  5229.27  174.478  4830.87  157.333  286.868   4.7894  275.737   4.4931 11.13174 6.567056 
1 1 1  -12   12   12 o  147.328   3.7309  1387.61   69.296  1302.19  102.460  1459.61   94.076  143.114   5.6376  151.542   4.8884 -8.427963 7.461819 
1 1 1  -12   12   13 o  314.939   3.3580  6307.06  134.228  6216.52  192.238  6393.19  187.504  312.727   4.8406  317.152   4.6555 -4.425507 6.716011 
1 1 1  -12   12   14 o  160.939   3.4643  1641.14   70.052  1683.46  107.791  1610.19   92.169  162.716   5.2165  159.162   4.5601 3.554398 6.928608 
1 1 1  -12   12   15 o  160.939   3.5729  1644.35   72.300  1665.21  110.617  1628.79   95.530  161.814   5.3830  160.065   4.6996 1.749008 7.145893 
1 1 1  -12   12   16 o  461.797   4.1443 13570.38  243.016 13481.45  345.634 13657.34  341.751  460.292   5.9130  463.302   5.8086 -3.010132 8.288695 
1 1 1  -12   12   17 o  210.199   3.5321  2817.39   92.905  2767.05  143.574  2853.65  121.856  208.549   5.4211  211.850   4.5294 -3.301025 7.064277 
1 1 1  -12   12   18 o  357.840   3.6426  8136.84  165.161  8289.20  242.749  8005.53  225.363  360.934   5.2960  354.745   5.0025 6.189636 7.285150 
1 1 1  -12   12   19 o  157.872   4.0623  1585.85   79.132  1591.65  128.169  1582.27  100.594  158.053   6.3856  157.690   5.0233 0.3633575 8.124611 
1 1 1  -12   12   20 o  267.008   3.4489  4543.70  115.922  4487.58  175.378  4587.23  154.480  265.500   5.2015  268.516   4.5303 -3.016479 6.897792 
1 1 1  -12   12   21 o  103.118   6.1129  671.508   76.893  713.258  129.709  648.887   95.479  105.449   9.6861  100.786   7.4599 4.663452 12.22578 
1 1 1  -12   12   22 o  158.554   7.9547  1608.30  160.169  1608.30  160.169   0.0000   0.0000  158.554   7.9547  ?   ?       ?      ? 
1 1 1  -12   12   23 o  104.652   7.2721  742.069   86.170  619.783  156.233  795.532  103.303   97.768   12.583  111.536   7.2932 -13.76806 14.54417 
1 1 1  -12   12   24 o   51.885   11.330  178.864   75.683  148.217  155.610  188.359   86.618   51.003   18.555   52.767   13.009 -1.764427 22.66049 
1 1 1  -12   12   25 o   52.900   11.683  122.562   80.544  338.512  168.721   58.824   91.663   69.552   18.698   36.247   14.013 33.30472 23.36634 
1 1 1  -12   12   26 o  156.533   5.0150  1564.40   75.440  1589.41  181.447  1559.17   82.949  156.687   9.1189  156.380   4.1769 0.3063354 10.02994 
1 1 1  -12   12   27 o  123.941   5.1676  983.417   81.335   0.0000   0.0000  983.417   81.335  ?   ?   123.941   5.1676      ?      ? 
1 1 1  -12   14    1 o  412.475   3.8166 10813.67  199.885 10851.60  285.488 10777.19  279.954  413.181   5.4409  411.769   5.3537 1.411926 7.633197 
1 1 1  -12   14    2 o  219.556   3.8174  3115.92  102.043  3261.11  128.995  2873.12  166.811  226.542   4.4838  212.569   6.1794 13.97330 7.634759 
1 1 1  -12   14    3 o  296.545   3.2632  5588.00  122.875  5603.61  175.258  5572.91  172.324  296.950   4.6475  296.139   4.5822 0.8110962 6.526498 
1 1 1  -12   14    4 o  114.276   4.2263  828.006   61.194  863.898   90.284  797.504   83.228  116.557   6.0995  111.995   5.8518 4.561974 8.452657 
1 1 1  -12   14    5 o  171.482   4.2887  1910.54   88.904  2014.33  111.689  1731.06  146.872  178.021   4.9404  164.944   7.0117 13.07672 8.577431 
1 1 1  -12   14    6 o  288.854   3.2763  5302.71  120.141  5118.10  169.070  5491.01  170.752  283.772   4.6916  293.935   4.5744 -10.16318 6.552588 
1 1 1  -12   14    7 o  243.019   3.2239  3754.89   99.445  3704.54  142.338  3802.90  138.994  241.423   4.6427  244.615   4.4744 -3.192535 6.447832 
1 1 1  -12   14    8 o  647.013   5.3587 26652.93  440.269 26796.15  627.041 26513.66  618.319  648.720   7.6113  645.307   7.5452 3.412964 10.71737 
1 1 1  -12   14    9 o  235.019   3.2287  3513.80   96.251  3437.97  138.587  3584.47  133.778  232.560   4.6925  237.477   4.4359 -4.917160 6.457361 
1 1 1  -12   14   10 o  196.766   3.3284  2463.51   82.851  2435.01  122.267  2487.71  112.660  195.702   4.9197  197.830   4.4844 -2.128189 6.656765 
1 1 1  -12   14   11 f  134.188   4.0359  1139.42   68.482  1208.43  102.700  1084.17   91.896  137.820   5.8679  130.556   5.5427 7.264160 8.071779 
1 1 1  -12   14   12 o  176.001   3.4638  1964.97   77.324  2080.24  112.669  1862.34  106.312  180.868   4.9053  171.134   4.8918 9.734238 6.927618 
1 1 1  -12   14   13 o  262.569   3.2678  4383.53  108.918  4390.91  156.373  4376.57  151.795  262.778   4.6859  262.359   4.5560 0.4192810 6.535680 
1 1 1  -12   14   14 o   50.049   9.4095  159.463   61.173  219.775   95.083  116.868   79.907   57.344   13.313   42.754   13.301 14.59060 18.81906 
1 1 1  -12   14   15 o  239.902   3.4407  3653.34  104.232  3732.57  156.674  3590.43  139.610  242.209   5.0936  237.594   4.6270 4.614334 6.881467 
1 1 1  -12   14   16 o  284.017   3.3987  5121.74  122.221  5262.75  180.919  5003.36  165.767  287.588   4.9538  280.446   4.6545 7.142090 6.797353 
1 1 1  -12   14   17 o  231.191   3.3960  3403.98   99.315  3372.05  146.723  3430.98  134.923  230.166   5.0197  232.217   4.5753 -2.050415 6.791940 
1 1 1  -12   14   18 o  105.865   5.5374  720.434   73.646  685.181  111.061  748.101   98.389  103.483   8.4512  108.246   7.1574 -4.763710 11.07477 
1 1 1  -12   14   19 o   18.638   9.4078 -401.8463   78.680 -472.2101  117.958 -345.4489  105.604  ?   ?    18.638   9.4078      ?      ? 
1 1 1  -12   14   20 o   90.884   9.0565  612.500   89.411  330.035  140.269  805.816  116.041   69.597   16.178  112.172   8.1461 -42.57502 18.11300 
1 1 1  -12   14   21 o   92.537   7.6441  579.734   82.565  477.779  141.422  632.455  101.697   85.727   12.990   99.347   8.0607 -13.62006 15.28812 
1 1 1  -12   14   22 o  118.809   5.8515  861.786   82.731  1034.37  150.551  787.123   99.022  126.727   9.3548  110.890   7.0317 15.83701 11.70292 
1 1 1  -12   14   23 o   74.907   9.8469  384.186   81.390  358.589  154.241  394.064   95.816   71.751   17.159   78.063   9.6653 -6.311447 19.69390 
1 1 1  -12   14   24 o   61.670   13.386  280.445   97.256  115.045  280.918  302.970  103.668   56.579   23.572   66.761   12.692 -10.18230 26.77147 
1 1 1  -12   14   25 o   55.190   24.167   50.024  323.063   50.024  323.063   0.0000   0.0000   55.190   24.167  ?   ?       ?      ? 
1 1 1  -12   14   26 o   29.057   14.315 -349.1962  187.608 -349.1962  187.608   0.0000   0.0000   29.057   14.315  ?   ?       ?      ? 
1 1 1  -12   16    1 o  125.343   4.1313  1008.29   64.413  954.484  100.390  1045.95   83.980  122.447   6.4560  128.240   5.1567 -5.792778 8.262674 
1 1 1  -12   16    2 o  368.560   3.6150  8635.82  169.028  8712.00  245.029  8566.66  233.474  370.099   5.2134  367.022   5.0092 3.076233 7.229921 
1 1 1  -12   16    3 o  110.588   4.6072  785.633   62.852  747.872  100.424  809.949   80.587  108.346   7.2987  112.830   5.6243 -4.483574 9.214342 
1 1 1  -12   16    4 o  467.785   4.1808 13925.19  248.341 13946.51  353.464 13904.41  348.994  468.133   5.9456  467.438   5.8792 0.6954346 8.361527 
1 1 1  -12   16    5 o  171.934   3.5633  1882.12   77.718  1816.89  111.177  1944.46  108.685  169.010   5.1799  174.859   4.8945 -5.849106 7.126553 
1 1 1  -12   16    6 o  220.899   3.3281  3097.63   93.045  3165.64  138.008  3040.95  125.983  223.107   4.8709  218.692   4.5363 4.415054 6.656137 
1 1 1  -12   16    7 o  191.266   3.4848  2324.41   84.288  2351.83  125.408  2301.82  113.833  192.279   5.1359  190.251   4.7115 2.027832 6.969643 
1 1 1  -12   16    8 o  459.429   4.1503 13435.19  242.118 13476.12  345.269 13395.59  339.613  460.110   5.9091  458.749   5.8295 1.361267 8.300613 
1 1 1  -12   16    9 o  185.427   3.5660  2179.31   83.682  2280.80  124.627  2095.98  112.924  189.333   5.1833  181.520   4.8987 7.813171 7.131917 
1 1 1  -12   16   10 o  308.694   3.4737  6054.02  136.035  6240.56  197.899  5886.92  187.301  313.188   4.9758  304.200   4.8485 8.987823 6.947371 
1 1 1  -12   16   11 o  123.896   4.5499  978.937   70.700  973.113  108.711  983.206   93.071  123.541   6.9292  124.250   5.8985 -0.7095566 9.099791 
1 1 1  -12   16   12 o   63.239   8.1182  262.660   62.811  254.356   96.657  268.729   82.637   61.726   12.753   64.751   10.050 -3.024860 16.23648 
1 1 1  -12   16   13 o  213.564   3.5010  2906.76   94.646  2855.89  138.879  2950.87  129.329  211.794   5.1635  215.333   4.7294 -3.539459 7.002082 
1 1 1  -12   16   14 o   66.453   8.2193  287.932   67.449  338.643   98.602  243.335   92.467   72.581   10.698   60.326   12.482 12.25437 16.43863 
1 1 1  -12   16   15 o  179.649   4.0527  2059.07   92.252  2023.68  134.388  2090.62  126.864  178.162   5.9397  181.135   5.5151 -2.973282 8.105379 
1 1 1  -12   16   16 o  424.151   5.9393 11473.81  319.913 11473.81  319.913   0.0000   0.0000  424.151   5.9393  ?   ?       ?      ? 
1 1 1  -12   16   17 f   59.137   10.459  243.815   78.388  191.383  123.935  278.776  101.203   53.792   16.538   64.482   12.810 -10.68994 20.91883 
1 1 1  -12   16   18 o  159.382   4.6045  1624.49   91.605  1614.88  143.152  1631.16  119.208  158.890   7.0945  159.874   5.8715 -0.9836121 9.209032 
1 1 1  -12   16   19 o   39.157   10.930   56.066   77.026   89.347  131.053   38.501   95.205   43.580   16.781   34.735   14.008 8.844501 21.85939 
1 1 1  -12   16   20 o  216.791   3.9100  3002.10  106.017  3002.70  164.853  3001.68  138.442  216.697   5.9905  216.885   5.0264 -0.1885529 7.819960 
1 1 1  -12   16   21 o   61.520   11.699  282.108   87.777  161.946  195.171  312.576   98.278   53.910   20.546   69.130   11.195 -15.22021 23.39791 
1 1 1  -12   16   22 o   51.943   13.166  173.608  110.876  119.908  180.621  206.079  140.453   49.251   19.483   54.636   17.714 -5.384861 26.33241 
1 1 1  -12   16   23 o  163.242   6.1217  1720.81  125.966  1459.97  169.419  2043.26  188.372  149.415   8.9287  177.068   8.3772 -27.65323 12.24331 
1 1 1  -12   18    1 o  117.512   4.8729  890.143   71.822  808.749  107.271  956.277   96.693  112.541   7.5058  122.484   6.2164 -9.942825 9.745779 
1 1 1  -12   18    2 o  172.479   3.8278  1864.97   83.005  2103.88  128.995  1696.14  108.437  181.743   5.5890  163.215   5.2316 18.52721 7.655547 
1 1 1  -12   18    3 o  385.442   3.7974  9462.68  185.832  9353.24  264.642  9569.15  261.009  383.229   5.4378  387.655   5.3019 -4.426544 7.594730 
1 1 1  -12   18    4 o  483.061   4.3332 14874.35  265.792 14837.27  378.257 14910.52  373.561  482.452   6.1738  483.669   6.0818 -1.217377 8.666318 
1 1 1  -12   18    5 o  149.035   4.2643  1415.75   80.289  1415.50  119.787  1415.96  108.187  148.994   6.3309  149.076   5.7146 -0.8216858E-01 8.528608 
1 1 1  -12   18    6 o  134.091   4.5543  1158.35   76.761  1025.21  112.316  1275.04  105.151  126.736   6.9785  141.446   5.8539 -14.70975 9.108665 
1 1 1  -12   18    7 o   35.527   10.048   35.390   68.377   72.888  106.502   9.0943   89.185   39.747   15.171   31.307   13.178 8.440056 20.09506 
1 1 1  -12   18    8 o  172.435   4.3043  1914.91   93.270  1713.43  137.313  2087.49  127.088  163.866   6.5985  181.003   5.5289 -17.13733 8.608649 
1 1 1  -12   18    9 o  309.172   3.8024  6086.72  149.240  5970.63  207.757  6210.49  214.519  306.134   5.3440  312.210   5.4105 -6.075592 7.604758 
1 1 1  -12   18   10 f  397.746   8.0978 10126.57  409.025 10126.57  409.025   0.0000   0.0000  397.746   8.0978  ?   ?       ?      ? 
1 1 1  -12   18   11 o   54.145   11.356  190.894   90.747   78.962  132.845  288.822  124.257   43.083   16.810   65.208   15.273 -22.12530 22.71204 
1 1 1  -12   18   12 o  233.626   3.9316  3490.30  116.184  3345.51  169.897  3617.50  159.238  229.011   5.8419  238.241   5.2632 -9.230652 7.863151 
1 1 1  -12   18   13 o   94.398   7.1085  569.467   84.340  605.206  130.425  543.781  110.569   96.846   10.605   91.949   9.4691 4.897308 14.21704 
1 1 1  -12   18   14 o  232.624   3.8089  3451.73  111.798  3451.81  167.860  3451.67  149.876  232.567   5.6836  232.682   5.0721 -0.1150970 7.617721 
1 1 1  -12   18   15 o   34.146   10.244  -6.6151   77.850   56.734  120.498 -52.0032  101.995   39.543   15.826   28.749   13.013 10.79412 20.48850 
1 1 1  -12   18   16 o  113.594   5.7347  832.697   81.919  810.172  123.879  850.202  109.206  112.114   8.7009  115.075   7.4729 -2.961235 11.46948 
1 1 1  -12   18   17 o  112.512   5.9142  822.601   82.701  787.753  129.520  846.589  107.459  110.284   9.2480  114.740   7.3748 -4.455421 11.82847 
1 1 1  -12   18   18 o  187.492   5.4610  2272.35  129.064  2241.90  193.926  2296.56  172.923  186.167   8.2027  188.818   7.2116 -2.650772 10.92206 
1 1 1  -12   18   19 o  163.234   6.4972  1765.06  131.509  1603.45  203.626  1880.70  172.249  156.171   10.267  170.298   7.9647 -14.12697 12.99438 
1 1 1  -12   18   20 o   19.992   10.141 -564.6429  109.465 -461.1968  132.497 -787.0685  194.286   19.992   10.141  ?   ?       ?      ? 
1 1 1  -12   18   21 o   29.698   14.178 -161.6198  149.555 -161.6198  149.555   0.0000   0.0000   29.698   14.178  ?   ?       ?      ? 
1 1 1  -12   20    1 o  183.234   4.2846  2159.75   98.604  2018.66  148.003  2272.35  132.222  177.726   6.5576  188.742   5.5164 -11.01587 8.569287 
1 1 1  -12   20    2 o  184.403   4.2137  2182.32   97.980  2054.43  144.844  2290.21  133.036  179.327   6.3603  189.479   5.5288 -10.15219 8.427431 
1 1 1  -12   20    3 o  254.692   3.7283  4133.87  120.180  4166.97  177.718  4105.98  163.137  255.589   5.4754  253.796   5.0616 1.793121 7.456523 
1 1 1  -12   20    4 o  134.327   5.3306  1166.23   88.974  1102.10  138.957  1210.79  115.833  131.036   8.3505  137.619   6.6279 -6.583084 10.66115 
1 1 1  -12   20    5 o   70.515   9.4871  334.181   82.339  300.063  122.808  362.044  110.980   66.333   14.938   74.697   11.699 -8.363686 18.97423 
1 1 1  -12   20    6 o  135.041   5.0997  1170.48   87.248  1116.31  125.826  1220.65  121.084  131.976   7.5075  138.105   6.9040 -6.128922 10.19941 
1 1 1  -12   20    7 o  147.797   5.0647  1395.96   94.937  1472.07  138.541  1328.58  130.356  151.579   7.1971  144.015   7.1277 7.564575 10.12930 
1 1 1  -12   20    8 o  138.445   5.0330  1239.62   87.665  1100.31  127.795  1363.44  120.481  130.924   7.6863  145.966   6.4997 -15.04120 10.06600 
1 1 1  -12   20    9 o   42.446   11.233   92.499   83.541   41.165  127.791  130.809  110.398   39.031   16.046   45.860   15.724 -6.828590 22.46586 
1 1 1  -12   20   10 o  191.707   4.2327  2328.15  102.339  2546.07  156.257  2164.46  135.428  199.440   6.1695  183.974   5.7966 15.46640 8.465387 
1 1 1  -12   20   11 o   63.027   10.347  273.266   82.540  362.741  119.833  192.495  113.854   73.039   13.414   53.016   15.757 20.02346 20.69307 
1 1 1  -12   20   12 o  128.487   5.4371  1069.13   87.822  1028.09  132.482  1101.30  117.298  126.124   8.2715  130.850   7.0589 -4.725769 10.87411 
1 1 1  -12   20   13 o  110.473   8.2351  790.429  115.532   0.0000   0.0000  790.429  115.532  ?   ?   110.473   8.2351      ?      ? 
1 1 1  -12   20   14 f   33.470   10.253  -0.6293   79.519   5.8007  122.077  -5.3684  104.802   35.052   15.105   31.888   13.868 3.164370 20.50587 
1 1 1  -12   20   15 o   82.123   11.370  479.388  115.877  575.374  165.984  388.133  161.843   91.645   14.262   72.601   17.711 19.04403 22.73983 
1 1 1  -12   20   16 o  246.349   5.6872  3961.31  177.813  3905.06  246.540  4022.29  256.697  244.617   7.9364  248.081   8.1480 -3.463470 11.37436 
1 1 1  -12   20   17 o   53.728   11.210   71.946  120.260 -285.3088  164.414  482.999  176.360   27.632   13.571   79.824   17.846 -52.19194 22.41939 
1 1 1  -12   20   18 o   81.602   17.605  512.104  177.080  512.104  177.080   0.0000   0.0000   81.602   17.605  ?   ?       ?      ? 
1 1 1  -12   22    1 o   47.807   11.366  127.334   84.935  248.879  135.937   49.498  108.782   58.825   17.146   36.789   14.926 22.03580 22.73208 
1 1 1  -12   22    2 o  114.444   6.1976  830.890   87.587  951.766  145.163  761.693  109.832  120.558   9.4817  108.330   7.9837 12.22812 12.39523 
1 1 1  -12   22    3 o   58.036   11.178  228.349   88.491  352.846  134.054  132.205  117.804   70.483   15.407   45.589   16.199 24.89331 22.35542 
1 1 1  -12   22    4 o   72.252   10.316  366.063   89.988  373.316  141.627  361.152  116.536   72.268   15.867   72.236   13.190 0.3187561E-01 20.63295 
1 1 1  -12   22    5 o   69.769   10.566  377.031   90.851  212.145  148.538  475.583  114.836   54.787   18.240   84.751   10.670 -29.96375 21.13147 
1 1 1  -12   22    6 o  114.554   6.9503  808.541   97.521  1189.57  161.786  591.089  122.220  134.527   9.4701   94.581   10.176 39.94627 13.90057 
1 1 1  -12   22    7 o  ?   ?  -902.4471   99.430 -1006.9560  174.790 -852.4504  120.896  ?   ?   ?   ?       ?      ? 
1 1 1  -12   22    8 o  272.576   6.2030  4796.77  214.718   0.0000   0.0000  4796.77  214.718  ?   ?   272.576   6.2030      ?      ? 
1 1 1  -12   22    9 o  207.650   8.4384  2828.38  222.521  2828.38  222.521   0.0000   0.0000  207.650   8.4384  ?   ?       ?      ? 
1 1 1  -12   22   10 o   31.842   10.228 -130.0023  100.520 -326.9583  144.914   52.645  139.551   24.156   12.019   39.529   16.554 -15.37288 20.45659 
1 1 1  -12   22   11 o  105.595   9.5420  772.587  127.440  853.241  190.800  707.626  171.236  110.454   13.602  100.736   13.386 9.718849 19.08403 
1 1 1  -12   22   12 o   99.416   10.220  703.138  128.723  759.263  189.980  655.503  175.021  103.013   14.522   95.819   14.383 7.194595 20.43973 
1 1 1  -12   22   13 o   66.731   12.382  322.987  119.157  604.349  184.573  121.923  156.028   88.610   17.021   44.851   17.988 43.75880 24.76427 
1 1 1  -12   22   14 o  138.429   7.4155  1310.19  127.858  1339.10  201.766  1290.80  165.280  138.704   11.455  138.155   9.4205 0.5484009 14.83093 
1 1 1  -12   22   15 o   47.113   18.912  159.242  172.649  159.242  172.649   0.0000   0.0000   47.113   18.912  ?   ?       ?      ? 
1 1 1  -12   24    1 o  116.078   7.2820  905.021  105.413  1052.64  169.609  812.112  134.557  123.099   10.850  109.057   9.7158 14.04276 14.56403 
1 1 1  -12   24    2 o  144.347   6.1149  1434.02  107.288  1270.19  172.472  1537.43  137.028  136.115   9.9779  152.580   7.0719 -16.46547 12.22983 
1 1 1  -12   24    3 o  168.337   5.5378  1864.34  117.349  2072.97  181.114  1713.38  154.062  176.072   8.1000  160.603   7.5538 15.46967 11.07560 
1 1 1  -12   24    4 o   49.101   19.174  187.327  172.956  187.327  172.956   0.0000   0.0000   49.101   19.174  ?   ?       ?      ? 
1 1 1  -11    1    1 o  421.245   3.6732 11250.95  196.278 10873.33  269.922 11674.67  285.928  413.759   5.1370  428.732   5.2516 -14.97287 7.346343 
1 1 1  -11    1    2 o  811.478   6.4640 41814.10  665.702 40924.43  921.812 42783.82  962.389  802.472   9.0455  820.484   9.2364 -18.01245 12.92799 
1 1 1  -11    1    3 o  963.080   7.5987 58940.96  929.005 57993.66  1292.70 59952.76  1335.99  955.091   10.658  971.069   10.834 -15.97803 15.19741 
1 1 1  -11    1    4 f  742.529   5.9659 35034.83  562.525 34802.41  790.383 35273.42  800.781  740.036   8.4102  745.023   8.4638 -4.987122 11.93180 
1 1 1  -11    1    5 o  469.761   4.0483 13950.80  240.729 13228.41  324.917 14829.89  358.428  456.348   5.6066  483.174   5.8415 -26.82654 8.096698 
1 1 1  -11    1    6 o  520.440   4.4023 17136.70  290.141 16318.21  392.783 18119.66  430.440  506.824   6.1026  534.057   6.3467 -27.23273 8.804699 
1 1 1  -11    1    7 o  197.358   2.9119  2462.38   72.803  2255.12   99.374  2702.50  106.964  188.435   4.1527  206.282   4.0832 -17.84708 5.823859 
1 1 1  -11    1    8 o  361.086   3.4827  8262.24  159.495  8670.48  232.855  7901.44  218.909  369.468   4.9629  352.704   4.8874 16.76392 6.965374 
1 1 1  -11    1    9 o  172.440   4.6842  1888.62  102.576  1888.62  102.576   0.0000   0.0000  172.440   4.6842  ?   ?       ?      ? 
1 1 1  -11    1   10 o  458.703   4.1137 13364.05  239.619 13533.55  340.918 13198.55  336.864  461.577   5.8160  455.829   5.8194 5.748718 8.227473 
1 1 1  -11    1   11 o  634.768   5.3058 25600.99  427.701 25643.86  604.454 25558.00  605.269  635.301   7.4921  634.235   7.5149 1.065613 10.61156 
1 1 1  -11    1   12 o  190.318   4.1852  2326.92  100.008  2603.04  137.541  2017.18  145.674  202.441   5.3500  178.196   6.4373 24.24438 8.370318 
1 1 1  -11    1   13 o  427.540   4.5161 11618.93  216.739 11627.26  253.066 11595.99  419.850  427.872   4.6574  427.208   7.7389 0.6642151 9.032247 
1 1 1  -11    1   14 o  616.525   5.9516 24332.92  410.736 24538.31  479.773 23769.29  794.768  621.538   6.0784  611.512   10.234 10.02594 11.90327 
1 1 1  -11    1   15 o   92.714   8.9915  658.447   74.647  723.975   83.883  409.069  163.639  106.761   6.1870   78.667   16.885 28.09458 17.98303 
1 1 1  -11    1   16 o  353.281   3.7810  7893.79  169.001  8294.37  252.286  7567.71  227.621  361.375   5.4974  345.187   5.1925 16.18741 7.562008 
1 1 1  -11    1   17 o  796.825   9.1937 40347.76  930.312   0.0000   0.0000 40347.76  930.312  ?   ?   796.825   9.1937      ?      ? 
1 1 1  -11    1   18 o  766.002   8.8297 37285.92  858.922   0.0000   0.0000 37285.92  858.922  ?   ?   766.002   8.8297      ?      ? 
1 1 1  -11    1   19 o  826.784   6.6948 43310.23  701.128 45325.51  1037.19 41614.43  951.437  844.419   9.6722  809.149   9.2592 35.26990 13.38969 
1 1 1  -11    1   20 o  392.816   5.4867  9803.23  273.703   0.0000   0.0000  9803.23  273.703  ?   ?   392.816   5.4867      ?      ? 
1 1 1  -11    1   21 o  223.566   3.8749  3145.83  109.278  3440.39  166.689  2923.81  144.715  232.647   5.6420  214.484   5.3130 18.16312 7.749821 
1 1 1  -11    1   22 o  347.401   3.8731  7642.15  170.453  8125.70  252.089  7234.87  231.358  357.477   5.5530  337.326   5.4008 20.15091 7.746247 
1 1 1  -11    1   23 o   83.551   8.2086  450.345   85.737  421.801  131.015  471.725  113.387   81.156   12.712   85.946   10.389 -4.790436 16.41726 
1 1 1  -11    1   24 o   65.673   10.622  282.565   86.396  347.003  132.035  234.318  114.250   72.139   14.905   59.207   15.137 12.93243 21.24369 
1 1 1  -11    1   25 o   85.593   8.5909  467.823   93.090  499.409  138.482  441.784  125.738   88.200   12.364   82.986   11.931 5.213234 17.18175 
1 1 1  -11    1   26 o  290.836   4.1284  5384.30  152.259  5428.70  221.757  5344.71  209.425  291.949   5.9813  289.724   5.6920 2.225525 8.256784 
1 1 1  -11    1   27 o   37.697   11.613 -28.2581  106.169 -96.0763  160.124   24.948  141.828   35.365   16.123   40.030   16.719 -4.665501 23.22680 
1 1 1  -11    1   28 o   29.513   10.058 -316.3296  120.073 -110.7495  158.644 -592.0346  183.720   34.407   15.821   24.619   12.425 9.787395 20.11681 
1 1 1  -11    1   29 o   59.457   12.333  209.618  118.664 -13.0408  171.293  415.073  164.543   40.996   17.779   77.917   17.099 -36.92068 24.66696 
1 1 1  -11    1   30 o   64.794   12.909  263.771  120.442  461.770  181.080  106.680  161.293   81.716   17.941   47.872   18.565 33.84469 25.81767 
1 1 1  -11    1   31 o  186.212   6.1606  2236.63  144.605  2242.49  218.205  2232.03  193.094  186.251   9.2254  186.174   8.1672 0.7699585E-01 12.32119 
1 1 1  -11    1   32 o  103.308   9.2034  711.849  120.638  685.129  171.544  737.993  169.688  101.266   13.339  105.351   12.683 -4.085205 18.40676 
1 1 1  -11    1   33 o  ?   ?  -677.6431  105.055 -643.1215  141.860 -719.5677  156.332  ?   ?   ?   ?       ?      ? 
1 1 1  -11    1   34 o   35.914   11.374 -33.7330  108.550 -96.8318  150.908   33.918  156.257   32.222   15.028   39.607   17.079 -7.385654 22.74898 
1 1 1  -11    1   35 o   35.781   11.398 -22.3646  109.663 -73.9048  149.452   37.755  161.412   32.352   15.044   39.210   17.128 -6.858391 22.79652 
1 1 1  -11    3    1 f  1110.52   8.7159 78452.95  1229.17 78290.43  1733.96 78617.13  1742.70  1109.36   12.308  1111.67   12.344 -2.306030 17.43185 
1 1 1  -11    3    2 o  633.193   7.3207 25474.78  588.666 25474.78  588.666   0.0000   0.0000  633.193   7.3207  ?   ?       ?      ? 
1 1 1  -11    3    3 o  852.780   6.7911 46150.63  734.465 44772.70  1007.69 47712.18  1072.73  839.240   9.4551  866.320   9.7507 -27.08038 13.58214 
1 1 1  -11    3    4 o  490.520   4.2254 15247.38  262.827 15975.06  384.642 14610.07  359.969  501.469   6.0400  479.572   5.9106 21.89743 8.450850 
1 1 1  -11    3    5 o  496.612   4.2894 15541.67  268.942 14571.41  357.722 16803.08  407.878  478.935   5.8815  514.290   6.2452 -35.35431 8.578743 
1 1 1  -11    3    6 o  749.407   6.0621 35660.95  576.477 34875.22  796.619 36524.78  835.278  740.758   8.4683  758.056   8.6766 -17.29803 12.12421 
1 1 1  -11    3    7 o  687.865   5.6269 30062.41  491.467 30467.35  701.896 29672.91  688.380  692.407   7.9824  683.323   7.9328 9.083374 11.25377 
1 1 1  -11    3    8 o  447.947   4.4822 12848.22  225.125 12964.40  263.249 12531.99  434.328  451.799   4.5882  444.095   7.7013 7.704346 8.964478 
1 1 1  -11    3    9 o  245.699   3.2341  3768.93   89.712  3694.48  104.581  3976.32  174.556  241.197   3.4143  250.201   5.4937 -9.003311 6.468282 
1 1 1  -11    3   10 o  786.757   7.3575 38375.90  617.781 37583.17  700.159 41162.55  1312.73  769.122   7.1684  804.392   12.851 -35.26971 14.71495 
1 1 1  -11    3   11 o  320.296   3.6966  6368.11  132.331  6211.64  153.208  6827.76  262.589  312.747   3.8575  327.845   6.3071 -15.09836 7.393260 
1 1 1  -11    3   12 o  800.711   7.4368 40494.14  652.119 40238.64  750.309 41283.18  1318.54  795.824   7.4241  805.599   12.888 -9.775024 14.87370 
1 1 1  -11    3   13 o  319.430   4.2963  6374.24  170.499  5998.64  216.824  6982.75  275.984  307.315   5.5558  331.545   6.5549 -24.23068 8.592611 
1 1 1  -11    3   14 o  754.529   7.0937 35736.04  583.237 35321.35  668.585 37056.35  1192.98  745.664   7.0605  763.394   12.306 -17.72980 14.18736 
1 1 1  -11    3   15 o  533.645   5.6577 18087.31  383.413 18087.31  383.413   0.0000   0.0000  533.645   5.6577  ?   ?       ?      ? 
1 1 1  -11    3   16 o  318.007   5.5161  6351.70  221.340  5493.44  296.691  7428.89  332.386  294.053   7.9451  341.960   7.6540 -47.90622 11.03218 
1 1 1  -11    3   17 o  677.624   6.6319 28683.07  494.090 28201.96  568.164 30175.72  1000.76  666.304   6.7147  688.945   11.439 -22.64044 13.26370 
1 1 1  -11    3   18 o  730.074   7.0227 33404.61  561.992 32950.75  645.765 34821.39  1140.94  720.185   7.0608  739.964   12.142 -19.77856 14.04536 
1 1 1  -11    3   19 o  457.669   4.3535 13298.80  251.574 13382.36  377.076 13231.77  337.726  458.951   6.4697  456.386   5.8271 2.564514 8.707048 
1 1 1  -11    3   20 o  283.078   3.7602  5074.00  131.939  5172.12  211.901  5011.87  168.611  285.285   5.8489  280.871   4.7272 4.413727 7.520384 
1 1 1  -11    3   21 o   59.287   10.402  215.172   72.737  288.560  135.126  185.233   86.308   65.779   16.267   52.794   12.967 12.98521 20.80305 
1 1 1  -11    3   22 o  481.931   4.5005 14781.11  274.756 14711.15  402.493 14842.16  375.988  480.828   6.5916  483.033   6.1294 -2.205444 9.001055 
1 1 1  -11    3   23 o   90.282   7.2960  518.097   80.669  530.219  133.717  511.160  101.150   91.039   11.566   89.524   8.8970 1.514915 14.59201 
1 1 1  -11    3   24 o  152.161   5.1688  1498.12   95.601  1393.02  157.200  1559.81  120.431  147.777   8.3766  156.545   6.0579 -8.767838 10.33755 
1 1 1  -11    3   25 o  257.226   4.1023  4236.96  130.995  4089.99  206.546  4335.85  169.428  253.399   6.4185  261.054   5.1107 -7.654907 8.204652 
1 1 1  -11    3   26 o   57.352   10.829  229.447   91.277   46.580  144.371  351.221  117.812   41.994   17.135   72.710   13.247 -30.71579 21.65839 
1 1 1  -11    3   27 o  320.332   4.1653  6573.87  168.358  6172.01  247.830  6918.24  229.423  311.114   6.2727  329.550   5.4820 -18.43576 8.330614 
1 1 1  -11    3   28 o  734.623   8.8038 34594.92  821.318 34594.92  821.318   0.0000   0.0000  734.623   8.8038  ?   ?       ?      ? 
1 1 1  -11    3   29 o  161.781   5.9623  1696.03  120.402  1571.45  184.213  1788.95  159.086  156.371   9.2765  167.191   7.4928 -10.81966 11.92457 
1 1 1  -11    3   30 o   94.244   10.713  620.288  119.183  476.894  183.645  724.630  156.655   82.918   17.960  105.570   11.685 -22.65123 21.42644 
1 1 1  -11    3   31 o   48.030   12.472   98.024  117.244 -123.9851  186.616  242.798  150.699   36.823   17.014   59.237   18.240 -22.41428 24.94316 
1 1 1  -11    3   32 o   56.861   13.544  209.391  116.745  310.930  181.997  138.395  152.181   65.185   20.040   48.537   18.224 16.64799 27.08733 
1 1 1  -11    3   33 o  219.907   4.7485  3140.13  131.341  2615.34  183.462  3691.87  188.113  200.686   7.1986  239.128   6.1946 -38.44171 9.497005 
1 1 1  -11    3   34 o   34.382   11.129 -55.9075  109.463 -74.6034  154.815 -37.2168  154.793   33.495   15.483   35.270   15.992 -1.775620 22.25887 
1 1 1  -11    3   35 o   59.716   12.629  291.780  111.685  422.443  157.533  159.738  158.363   72.423   17.355   47.009   18.350 25.41380 25.25723 
1 1 1  -11    5    1 o  103.789   3.5216  691.904   42.137  702.886   50.225  665.798   77.434  105.203   3.7593  102.375   5.9561 2.827682 7.043256 
1 1 1  -11    5    2 o  452.486   4.5319 12881.79  224.195 12762.50  257.550 13254.92  455.509  448.265   4.5243  456.706   7.8538 -8.441040 9.063759 
1 1 1  -11    5    3 o  399.815   4.1437  9924.28  180.254  9716.50  206.028 10602.37  372.189  391.140   4.1478  408.489   7.1747 -17.34961 8.287382 
1 1 1  -11    5    4 o  423.786   4.3210 11262.79  200.912 11121.96  231.022 11699.89  407.000  418.470   4.3472  429.102   7.4689 -10.63272 8.641908 
1 1 1  -11    5    5 o  637.773   6.0334 25668.71  421.321 25493.49  484.648 26210.83  852.492  633.494   6.0243  642.053   10.455 -8.558655 12.06682 
1 1 1  -11    5    6 f  881.867   8.0903 49427.01  785.567 49395.16  907.569 49522.16  1568.67  881.649   8.1060  882.085   14.004 -0.4367065 16.18062 
1 1 1  -11    5    7 o  520.907   5.0967 16975.81  290.189 16728.18  332.901 17759.37  592.168  513.197   5.1080  528.617   8.8212 -15.42065 10.19338 
1 1 1  -11    5    8 o  212.613   5.1635  2871.18  139.416   0.0000   0.0000  2871.18  139.416  ?   ?   212.613   5.1635      ?      ? 
1 1 1  -11    5    9 o  288.486   3.5630  5339.52  124.935  5478.35  156.654  5096.90  207.088  293.703   4.2001  283.269   5.7567 10.43408 7.126061 
1 1 1  -11    5   10 o  524.398   5.1243 17408.76  299.222 17341.88  347.428 17600.86  588.808  522.527   5.2357  526.269   8.8102 -3.742249 10.24858 
1 1 1  -11    5   11 o  217.803   3.3518  2999.84   88.519  2969.57  109.643  3056.50  150.011  216.240   3.9927  219.367   5.3848 -3.126984 6.703599 
1 1 1  -11    5   12 o   60.832   7.6351  240.708   57.200  252.234   77.274  226.738   85.072   62.998   9.6590   58.667   11.827 4.330570 15.27014 
1 1 1  -11    5   13 o  867.287   8.2529 44065.33  715.716 41948.52  787.724 54081.39  1713.49  812.585   7.6336  921.989   14.635 -109.4036 16.50577 
1 1 1  -11    5   14 o  600.345   6.3989 21222.21  435.307 19418.93  502.181 26672.76  873.066  552.891   7.1523  647.800   10.613 -94.90942 12.79788 
1 1 1  -11    5   15 o  364.034   5.1642  7906.21  230.653  6499.33  284.837 10585.91  393.108  319.863   7.0122  408.204   7.5833 -88.34122 10.32845 
1 1 1  -11    5   16 o  436.792   4.8247 12209.00  248.878 12366.69  301.973 11875.05  439.454  441.258   5.3889  432.326   8.0043 8.932251 9.649305 
1 1 1  -11    5   17 o  308.807   4.2530  5931.82  158.571  5671.04  194.008  6456.63  275.224  298.812   5.1126  318.803   6.7981 -19.99173 8.506043 
1 1 1  -11    5   18 o  416.365   5.0701 11033.72  265.215 11144.63  351.300 10886.72  404.427  418.824   6.6049  413.906   7.6941 4.917938 10.14027 
1 1 1  -11    5   19 o  414.922   4.7709 10920.30  234.303 10880.54  283.647 11005.71  415.715  413.814   5.3975  416.030   7.8685 -2.216095 9.541841 
1 1 1  -11    5   20 o  299.992   4.4042  5804.94  162.447  6081.92  208.225  5374.20  259.668  309.327   5.3008  290.656   7.0349 18.67035 8.808422 
1 1 1  -11    5   21 o   46.331   11.124  125.100   70.621  119.580  144.247  126.840   80.991   48.348   17.822   44.314   13.317 4.033459 22.24777 
1 1 1  -11    5   22 o  366.876   5.0660  8558.36  236.025   0.0000   0.0000  8558.36  236.025  ?   ?   366.876   5.0660      ?      ? 
1 1 1  -11    5   23 o  248.904   3.9370  3877.10  117.919  4140.69  205.260  3747.26  144.065  255.043   6.3374  242.764   4.6730 12.27907 7.874013 
1 1 1  -11    5   24 o  203.584   4.2593  2560.57  103.760  2869.35  184.517  2417.78  125.479  212.216   6.8467  194.953   5.0683 17.26344 8.518506 
1 1 1  -11    5   25 o  188.008   4.5959  2296.05  103.206  2120.35  175.728  2388.57  127.515  182.288   7.5911  193.729   5.1831 -11.44107 9.191822 
1 1 1  -11    5   26 o  138.901   5.5781  1238.45   93.833  1214.03  157.806  1251.81  116.705  137.701   9.0242  140.101   6.5595 -2.399490 11.15628 
1 1 1  -11    5   27 o   52.704   12.063  165.246   93.199  247.985  145.040  107.057  121.633   60.737   17.713   44.671   16.381 16.06575 24.12608 
1 1 1  -11    5   28 o  126.315   6.9395  1024.16  110.562  1042.72  166.972  1009.66  147.542  127.245   10.333  125.385   9.2660 1.860657 13.87909 
1 1 1  -11    5   29 o  171.240   9.3127  1887.39  202.515  1887.39  202.515   0.0000   0.0000  171.240   9.3127  ?   ?       ?      ? 
1 1 1  -11    5   30 o   92.706   10.845  570.848  117.193  606.012  204.750  553.714  142.919   93.407   17.913   92.006   12.232 1.400833 21.69083 
1 1 1  -11    5   31 o  181.581   5.7893  2112.74  129.032  2207.55  213.566  2058.23  161.927  184.363   9.1218  178.798   7.1315 5.565964 11.57866 
1 1 1  -11    5   32 o   92.386   9.0541  576.871  105.682  563.359  156.260  588.261  143.470   91.080   13.510   93.693   12.058 -2.612549 18.10830 
1 1 1  -11    5   33 o   30.894   10.260 -114.7359  102.658 -86.7033  140.035 -147.3041  150.938   31.468   14.609   30.320   14.410 1.147352 20.52026 
1 1 1  -11    5   34 o   40.231   12.022   58.990  107.016  107.851  151.616   10.479  151.073   43.445   17.623   37.018   16.356 6.427311 24.04325 
1 1 1  -11    7    1 o  320.921   3.6298  6317.21  127.253  6114.14  145.362  6983.31  263.266  310.284   3.6890  331.558   6.2525 -21.27380 7.259697 
1 1 1  -11    7    2 o  109.906   3.3803  761.523   44.406  750.677   54.108  783.898   77.717  108.721   3.9189  111.091   5.5088 -2.370171 6.760529 
1 1 1  -11    7    3 o  514.599   5.0557 16587.52  283.987 16366.69  325.673 17288.30  580.152  507.626   5.0520  521.571   8.7589 -13.94547 10.11142 
1 1 1  -11    7    4 o  533.215   5.1696 18196.48  308.952 18348.43  361.128 17781.65  596.700  537.474   5.2909  528.956   8.8830 8.517578 10.33927 
1 1 1  -11    7    5 o  1087.10   8.5422 74868.23  1175.76 78801.36  1746.14 71605.84  1590.30  1113.08   12.353  1061.12   11.802 51.95642 17.08438 
1 1 1  -11    7    6 o  347.853   3.9759  7771.85  167.517  7983.95  209.254  7393.36  279.536  354.555   4.6474  341.151   6.4523 13.40317 7.951752 
1 1 1  -11    7    7 o  853.941   6.7916 46324.23  736.205 47189.59  1059.61 45516.66  1023.62  861.640   9.6838  846.243   9.5250 15.39685 13.58313 
1 1 1  -11    7    8 o  144.924   2.8771  1327.99   52.835  1439.42   77.734  1232.31   72.031  150.550   4.0659  139.299   4.0719 11.25165 5.754246 
1 1 1  -11    7    9 o  256.853   2.9136  4190.05   95.024  4101.68  134.227  4278.84  134.541  254.137   4.1591  259.568   4.0816 -5.431107 5.827258 
1 1 1  -11    7   10 o  376.169   3.4896  8972.66  166.503  9271.98  242.704  8706.54  228.846  382.085   5.0020  370.254   4.8671 11.83139 6.979106 
1 1 1  -11    7   11 o  1017.70   9.9086 64934.47  1183.85 68349.27  2154.40 63457.30  1416.96  1036.27   16.371  999.136   11.167 37.13367 19.81722 
1 1 1  -11    7   12 o  974.793   7.7268 60363.47  956.039 61511.33  1378.38 59299.34  1327.16  983.708   11.034  965.878   10.820 17.82916 15.45364 
1 1 1  -11    7   13 o  888.588   10.045 50180.95  1133.51 50180.95  1133.51   0.0000   0.0000  888.588   10.045  ?   ?       ?      ? 
1 1 1  -11    7   14 o  615.868   5.1576 24087.21  403.302 23644.95  563.638 24551.19  577.318  610.079   7.2751  621.658   7.3128 -11.57959 10.31523 
1 1 1  -11    7   15 o  171.206   3.9742  1866.73   84.431  1838.19  134.031  1885.51  108.713  170.112   6.2043  172.300   4.9684 -2.187897 7.948493 
1 1 1  -11    7   16 o  156.331   4.1822  1594.90   79.530  1390.12  127.988  1723.70  101.506  147.923   6.8133  164.739   4.8520 -16.81683 8.364349 
1 1 1  -11    7   17 o  417.655   3.9512 11089.63  209.323 10898.56  301.900 11266.51  290.485  414.182   5.7398  421.127   5.4317 -6.945679 7.902400 
1 1 1  -11    7   18 o  245.846   3.5146  3858.59  108.437  3714.20  164.868  3968.67  143.957  241.759   5.3700  249.933   4.5356 -8.173660 7.029115 
1 1 1  -11    7   19 o  205.441   3.9226  2694.80   97.828  2644.08  163.789  2722.92  121.975  203.892   6.3257  206.990   4.6403 -3.097305 7.845143 
1 1 1  -11    7   20 o  154.910   4.6336  1554.66   84.812  1449.71  147.888  1606.09  103.528  150.881   7.7183  158.939   5.1292 -8.058456 9.267184 
1 1 1  -11    7   21 o  120.876   6.2076  925.388   94.898  1001.65  142.310  864.322  127.344  125.320   8.9421  116.431   8.6126 8.888687 12.41520 
1 1 1  -11    7   22 o  230.644   4.3841  3409.13  126.264  3522.66  165.766  3252.24  194.872  235.306   5.5474  225.983   6.7904 9.322937 8.768283 
1 1 1  -11    7   23 o  133.120   5.3685  1133.58   81.923  1121.55  152.983  1138.42   97.004  132.501   9.0918  133.738   5.7116 -1.237991 10.73697 
1 1 1  -11    7   24 o   89.086   8.7645  582.706   75.215  413.152  155.608  634.398   85.919   78.414   16.164   99.757   6.7821 -21.34290 17.52890 
1 1 1  -11    7   25 o   69.000   9.9898  305.392   87.536   0.0000   0.0000  305.392   87.536  ?   ?    69.000   9.9898      ?      ? 
1 1 1  -11    7   26 f  155.837   8.6859  1555.47  171.894  1555.47  171.894   0.0000   0.0000  155.837   8.6859  ?   ?       ?      ? 
1 1 1  -11    7   27 o  147.009   6.0743  1473.05  102.229  1168.62  179.184  1619.95  124.474  134.690   10.476  159.329   6.1519 -24.63834 12.14856 
1 1 1  -11    7   28 f   44.876   12.263   94.402   91.821   79.138  176.327  100.081  107.554   47.277   19.065   42.474   15.430 4.803089 24.52641 
1 1 1  -11    7   29 o   79.628   11.290  472.212  100.163  334.349  186.294  528.270  118.794   68.983   20.062   90.273   10.362 -21.29008 22.57989 
1 1 1  -11    7   30 o   85.633   10.657  505.946  102.065  486.934  187.832  513.912  121.581   82.637   18.374   88.630   10.802 -5.992165 21.31415 
1 1 1  -11    7   31 o   50.248   12.447  114.124  101.231  308.368  174.640   15.830  124.232   64.548   19.590   35.949   15.359 28.59910 24.89315 
1 1 1  -11    7   32 o  ?   ?  -981.3007  110.399 -849.1639  180.342 -1060.4960  139.616  ?   ?   ?   ?       ?      ? 
1 1 1  -11    7   33 o   44.889   17.507  127.785  144.060  127.785  144.060   0.0000   0.0000   44.889   17.507  ?   ?       ?      ? 
1 1 1  -11    9    1 o  534.137   4.4874 18105.27  304.177 18589.53  440.167 17662.63  420.827  540.965   6.4072  527.310   6.2843 13.65485 8.974729 
1 1 1  -11    9    2 f  516.565   4.3699 16915.83  286.262 17572.41  418.512 16338.57  392.418  525.962   6.2658  507.167   6.0929 18.79565 8.739736 
1 1 1  -11    9    3 o  262.554   3.5367  4386.08  112.411  4404.44  139.464  4352.02  189.920  263.350   4.1701  261.758   5.7134 1.592102 7.073397 
1 1 1  -11    9    4 o  161.753   2.8340  1658.98   58.159  1720.80   84.531  1603.42   80.144  164.610   4.0437  158.897   3.9717 5.712845 5.667971 
1 1 1  -11    9    5 o  375.309   4.2588  8857.35  188.843  9190.31  338.591  8707.01  227.516  380.354   7.0099  370.264   4.8386 10.09027 8.517654 
1 1 1  -11    9    6 o  741.733   5.9765 34940.41  562.750 35537.69  809.063 34380.61  783.262  747.867   8.5188  735.599   8.3847 12.26807 11.95299 
1 1 1  -11    9    7 o  372.140   3.5145  8795.14  166.078  8817.60  236.400  8773.25  233.370  372.609   4.9959  371.671   4.9443 0.9375916 7.028928 
1 1 1  -11    9    8 f  584.463   4.8824 21698.01  362.376 21535.49  510.182 21863.48  514.803  582.255   6.8998  586.671   6.9099 -4.416870 9.764883 
1 1 1  -11    9    9 o  981.633   7.7696 61251.93  968.542 61006.24  1364.90 61501.13  1374.61  979.652   10.971  983.614   11.005 -3.962219 15.53922 
1 1 1  -11    9   10 f  652.900   5.3850 27081.18  446.484 27082.40  632.429 27079.96  630.424  652.914   7.6274  652.886   7.6036 0.2832031E-01 10.76995 
1 1 1  -11    9   11 o  422.802   3.9180 11346.87  210.197 11522.58  304.386 11186.70  290.619  425.927   5.6274  419.677   5.4529 6.249969 7.835989 
1 1 1  -11    9   12 o  390.370   3.7112  9677.78  183.958  9462.98  258.875  9896.89  261.457  385.994   5.2812  394.746   5.2156 -8.751678 7.422490 
1 1 1  -11    9   13 o  336.072   3.4513  7172.21  147.119  7196.81  213.523  7149.99  202.991  336.619   4.9949  335.526   4.7640 1.092712 6.902537 
1 1 1  -11    9   14 o  480.455   4.2283 14663.77  257.960 14669.33  367.411 14658.37  362.263  480.543   6.0206  480.366   5.9385 0.1766968 8.456558 
1 1 1  -11    9   15 o  368.143   3.6332  8612.95  169.790  8373.37  240.936  8849.32  239.310  363.052   5.2258  373.233   5.0490 -10.18164 7.266447 
1 1 1  -11    9   16 o  358.571   3.5599  8167.48  161.916  8217.57  235.057  8122.24  223.358  359.611   5.1471  357.531   4.9194 2.080109 7.119897 
1 1 1  -11    9   17 o  300.524   3.4191  5744.05  130.136  5684.53  190.661  5795.97  178.064  299.054   5.0203  301.994   4.6430 -2.939514 6.838244 
1 1 1  -11    9   18 o  222.662   3.5292  3148.32   97.965  3169.93  154.231  3133.71  126.838  223.277   5.4394  222.047   4.4981 1.229553 7.058317 
1 1 1  -11    9   19 o  339.115   3.6334  7328.77  155.808  7117.08  229.324  7510.27  212.346  334.532   5.3980  343.699   4.8651 -9.166992 7.266877 
1 1 1  -11    9   20 o   53.567   10.227  195.724   69.021  158.438  122.889  212.906   83.422   50.527   16.580   56.607   11.978 -6.079880 20.45386 
1 1 1  -11    9   21 o  312.225   3.7640  6208.62  146.024  6169.84  231.451  6234.27  188.210  311.350   5.8537  313.099   4.7335 -1.749786 7.528092 
1 1 1  -11    9   22 o   78.357   8.8067  391.363   75.903  422.518  147.178  380.074   88.593   79.598   15.113   77.117   9.0463 2.480484 17.61343 
1 1 1  -11    9   23 o  263.552   4.6483  4427.45  155.305  4415.12  213.318  4441.35  226.548  263.192   6.3823  263.912   6.7596 -0.7200317 9.296579 
1 1 1  -11    9   24 o  145.129   6.0442  1324.92   77.072  1380.13  208.338  1316.17   82.957  146.444   11.203  143.814   4.5423 2.630142 12.08848 
1 1 1  -11    9   25 o  366.079   5.1626  9022.90  223.526  7136.38  368.920 10117.16  280.972  333.728   8.7048  398.429   5.5531 -64.70035 10.32526 
1 1 1  -11    9   26 o   99.626   8.1841  707.268   75.610  545.886  176.070  743.757   83.723   91.297   15.186  107.954   6.1069 -16.65747 16.36818 
1 1 1  -11    9   27 o  121.792   7.3754  1097.49   92.578  707.572  177.322  1243.60  108.546  104.060   13.419  139.525   6.1261 -35.46596 14.75078 
1 1 1  -11    9   28 o   44.268   12.180   95.097   87.504   53.407  188.623  106.530   98.776   46.325   19.309   42.212   14.851 4.113197 24.35930 
1 1 1  -11    9   29 o   45.697   12.432   99.029   89.112  144.524  184.468   85.180  101.775   51.585   19.896   39.809   14.912 11.77576 24.86407 
1 1 1  -11    9   30 o   40.978   11.227   39.824  104.914 -351.5106  203.751  181.014  122.385   30.971   15.189   50.985   16.536 -20.01460 22.45360 
1 1 1  -11    9   31 o   39.670   19.744 -709.4639  392.320 -709.4639  392.320   0.0000   0.0000   39.670   19.744  ?   ?       ?      ? 
1 1 1  -11   11    1 o  378.813   3.6740  8990.07  175.453  8087.11  231.775 10201.97  268.514  356.838   5.1147  400.787   5.2757 -43.94852 7.347951 
1 1 1  -11   11    2 o  290.103   3.3302  5340.08  122.466  4907.96  170.513  5800.48  176.003  277.991   4.8300  302.216   4.5859 -24.22437 6.660311 
1 1 1  -11   11    5 o  397.148   3.7554  9994.17  189.109 10430.19  277.016  9613.62  258.795  405.240   5.3829  389.056   5.2380 16.18341 7.510803 
1 1 1  -11   11    6 o  1002.39   7.9263 63808.88  1008.15 65474.42  1462.03 62299.01  1392.03  1014.83   11.344  989.948   11.073 24.88605 15.85259 
1 1 1  -11   11    7 o  636.312   5.2595 25677.28  424.441 26571.76  619.908 24887.89  582.352  646.721   7.5480  625.904   7.3266 20.81702 10.51908 
1 1 1  -11   11    8 o  488.147   4.2593 15075.58  263.324 15934.39  390.295 14358.05  356.753  500.854   6.1363  475.441   5.9087 25.41232 8.518618 
1 1 1  -11   11    9 o  488.829   4.2675 15171.40  264.841 14884.66  369.180 15475.43  380.145  484.074   6.0055  493.585   6.0647 -9.511017 8.535020 
1 1 1  -11   11   10 o  448.666   4.9420 12805.51  266.513 12839.72  327.946 12738.98  457.363  449.592   5.7439  447.740   8.0437 1.851837 9.884021 
1 1 1  -11   11   11 o  742.387   6.0230 35032.43  567.832 34984.54  803.307 35080.26  802.765  741.879   8.5265  742.895   8.5091 -1.015869 12.04599 
1 1 1  -11   11   12 o  448.677   4.0286 12789.87  229.535 12612.23  323.129 12970.81  326.114  445.532   5.7111  451.822   5.6836 -6.290466 8.057297 
1 1 1  -11   11   13 o  279.585   4.4397  4966.17  157.631   0.0000   0.0000  4966.17  157.631  ?   ?   279.585   4.4397      ?      ? 
1 1 1  -11   11   14 f  466.483   5.1647 13807.96  284.059 13947.58  507.864 13744.40  342.673  468.016   8.5449  464.949   5.8036 3.067291 10.32946 
1 1 1  -11   11   15 o  251.470   4.1590  3962.87  117.739  4148.99  229.673  3896.51  137.128  255.327   7.0833  247.613   4.3609 7.713379 8.318081 
1 1 1  -11   11   16 o  376.998   3.6842  9010.77  175.802  9345.36  261.235  8733.81  237.674  383.360   5.3659  370.636   5.0496 12.72440 7.368306 
1 1 1  -11   11   17 o   33.260   9.4440   34.867   59.938  -0.4620  102.685   53.124   73.818   32.845   13.996   33.674   12.683 -0.8297081 18.88790 
1 1 1  -11   11   18 o  282.183   3.4280  5081.10  122.073  4889.99  181.163  5240.04  165.212  277.280   5.1449  287.086   4.5316 -9.806641 6.856028 
1 1 1  -11   11   19 o  515.546   4.5149 16893.42  294.967 17386.52  433.898 16469.74  402.195  522.491   6.5393  508.601   6.2270 13.89059 9.029866 
1 1 1  -11   11   20 o  216.516   4.4750  3036.06  109.002  2877.89  207.535  3096.31  128.091  212.392   7.6944  220.641   4.5715 -8.249023 8.950007 
1 1 1  -11   11   21 f  206.347   4.5229  2673.48  104.228  2798.89  205.805  2630.21  120.876  209.373   7.7403  203.321   4.6815 6.051590 9.045897 
1 1 1  -11   11   22 o   78.833   9.9867  363.958   82.128  501.450  181.646  328.629   92.077   86.113   17.212   71.554   10.133 14.55914 19.97347 
1 1 1  -11   11   23 o  195.536   4.3893  2509.84  105.325  2101.35  163.344  2800.55  137.798  181.385   7.0913  209.686   5.1748 -28.30057 8.778671 
1 1 1  -11   11   24 o  274.373   4.9736  4795.66  173.297   0.0000   0.0000  4795.66  173.297  ?   ?   274.373   4.9736      ?      ? 
1 1 1  -11   11   25 o   68.587   10.225  437.083   64.237  113.932  178.230  485.327   68.865   50.000   19.481   87.173   6.2207 -37.17291 20.45007 
1 1 1  -11   11   26 o   68.176   10.673  366.549   70.487  215.831  176.910  394.990   76.851   57.913   19.903   78.439   7.7150 -20.52598 21.34556 
1 1 1  -11   11   27 o   31.317   10.387 -81.6966   78.409 -73.9325  182.988 -83.4427   86.779   38.566   17.446   24.067   11.280 14.49892 20.77468 
1 1 1  -11   11   28 o  181.862   5.2199  2098.54   90.813  2193.47  220.934  2079.25   99.617  183.297   9.4914  180.426   4.3477 2.871506 10.43975 
1 1 1  -11   13    1 o  461.645   4.0892 13535.45  239.701 13331.21  335.846 13747.51  342.221  458.096   5.7731  465.193   5.7929 -7.096893 8.178367 
1 1 1  -11   13    2 o  357.964   3.5105  8136.33  159.553  7966.61  223.211  8313.65  228.154  354.148   4.9631  361.780   4.9660 -7.631317 7.020921 
1 1 1  -11   13    3 o  231.560   3.1497  3406.26   92.593  3305.41  130.837  3507.46  131.057  228.124   4.5163  234.995   4.3916 -6.870773 6.299438 
1 1 1  -11   13    4 o  440.145   3.9587 12280.25  220.931 12775.21  323.580 11848.02  302.384  448.431   5.6821  431.858   5.5137 16.57269 7.917489 
1 1 1  -11   13    5 o  136.832   3.8868  1196.20   67.070  1042.77   95.451  1345.84   94.263  128.111   5.8670  145.553   5.0997 -17.44237 7.773621 
1 1 1  -11   13    6 o  448.578   4.0093 12781.34  228.353 12555.72  319.397 13017.26  326.604  444.530   5.6579  452.625   5.6820 -8.095215 8.018543 
1 1 1  -11   13    7 o  598.968   5.0027 22795.92  380.366 23226.01  547.549 22394.80  528.779  604.419   7.1336  593.517   7.0156 10.90167 10.00531 
1 1 1  -11   13    8 o  374.004   3.5951  8866.51  170.438  9242.32  250.380  8541.99  232.666  381.366   5.1699  366.642   4.9970 14.72388 7.190136 
1 1 1  -11   13    9 o  277.886   3.2578  4904.83  114.894  4965.15  165.849  4849.16  159.317  279.525   4.6721  276.247   4.5414 3.278046 6.515573 
1 1 1  -11   13   10 o  390.405   3.7189  9689.07  184.357  9695.93  262.604  9682.40  258.876  390.538   5.2949  390.272   5.2233 0.2662659 7.437705 
1 1 1  -11   13   11 o  257.274   3.2345  4209.26  105.595  4023.72  149.467  4394.13  149.202  251.605   4.6779  262.943   4.4682 -11.33775 6.468950 
1 1 1  -11   13   12 o  380.520   3.6523  9204.85  176.457  8948.86  248.046  9467.13  251.077  375.161   5.2064  385.880   5.1236 -10.71881 7.304661 
1 1 1  -11   13   13 o  155.519   3.5724  1517.05   70.023  1714.05  107.355  1371.18   92.378  164.184   5.1489  146.855   4.9534 17.32858 7.144740 
1 1 1  -11   13   14 o  287.936   3.2745  5259.10  119.395  5419.96  176.665  5123.86  161.987  291.969   4.7647  283.903   4.4930 8.066498 6.548991 
1 1 1  -11   13   15 o  292.512   3.3142  5431.46  122.814  5565.91  180.979  5316.69  167.209  295.850   4.8170  289.174   4.5533 6.676453 6.628414 
1 1 1  -11   13   16 o  160.650   3.7999  1639.20   76.681  1661.32  117.794  1622.93  101.015  161.566   5.7411  159.734   4.9798 1.832321 7.599895 
1 1 1  -11   13   17 f  307.848   3.4197  6019.23  133.135  6127.51  198.295  5930.37  179.648  310.342   5.0314  305.354   4.6328 4.987366 6.839437 
1 1 1  -11   13   18 o  217.769   4.2422  3001.58  114.385  2937.04  145.603  3105.62  184.870  214.802   5.3377  220.735   6.5950 -5.933395 8.484426 
1 1 1  -11   13   19 o  126.465   4.6351  974.947   71.620  1184.32  123.103  867.820   88.056  136.228   7.1158  116.702   5.9416 19.52614 9.270238 
1 1 1  -11   13   20 f  124.025   5.0573  961.415   77.765  1076.14  127.060  892.702   98.334  129.759   7.7107  118.291   6.5459 11.46747 10.11459 
1 1 1  -11   13   22 o   53.182   11.656  184.132   81.422  177.022  154.468  186.867   95.813   53.728   18.590   52.635   14.065 1.092888 23.31128 
1 1 1  -11   13   23 o   80.897   8.4849  396.783   78.589  490.953  154.177  363.726   91.347   86.636   14.013   75.159   9.5705 11.47650 16.96974 
1 1 1  -11   13   24 o  159.106   5.8903  1598.80   97.323  1680.11  213.271  1577.41  109.375  161.038   10.429  157.175   5.4797 3.862717 11.78061 
1 1 1  -11   13   25 o   77.899   10.290  412.934   80.997  407.833  176.748  414.290   91.130   75.770   18.524   80.029   8.9668 -4.259048 20.58012 
1 1 1  -11   13   26 o  187.576   4.7702  2249.48  113.630   0.0000   0.0000  2249.48  113.630  ?   ?   187.576   4.7702      ?      ? 
1 1 1  -11   15    1 o   98.463   5.6878  587.274   66.521  702.828  121.505  537.815   79.492  104.996   9.1126   91.929   6.8092 13.06726 11.37561 
1 1 1  -11   15    2 o  395.736   3.7356  9955.36  187.684 10046.32  269.023  9869.11  261.967  397.492   5.3295  393.980   5.2359 3.511749 7.471166 
1 1 1  -11   15    3 o  138.216   3.9511  1214.10   69.140  1224.71  102.036  1205.09   94.014  138.766   5.7902  137.666   5.3776 1.100189 7.902197 
1 1 1  -11   15    4 o  212.166   3.2394  2854.63   87.103  2960.19  128.161  2764.01  118.742  215.798   4.6766  208.534   4.4838 7.263855 6.478826 
1 1 1  -11   15    5 o  208.363   3.3722  2760.94   89.058  2743.12  129.830  2776.77  122.394  207.720   4.9217  209.006   4.6113 -1.285950 6.744436 
1 1 1  -11   15    6 o  153.395   4.4420  1490.52   81.421  1477.67   99.326  1516.85  142.159  152.445   5.1307  154.346   7.2527 -1.901352 8.884020 
1 1 1  -11   15    7 o  308.666   3.3580  6057.23  131.618  6043.13  187.209  6071.00  185.083  308.309   4.7815  309.024   4.7162 -0.7152405 6.716064 
1 1 1  -11   15    8 o  307.931   3.3803  6019.96  132.028  6198.54  192.438  5861.15  181.475  312.233   4.8533  303.629   4.7065 8.604401 6.760553 
1 1 1  -11   15    9 f  169.336   3.5797  1824.89   76.852  1798.25  111.475  1849.01  106.094  168.149   5.2204  170.522   4.8993 -2.373001 7.159318 
1 1 1  -11   15   10 o  506.884   4.4340 16314.71  285.012 15608.68  390.552 17119.10  416.870  495.193   6.2105  518.575   6.3301 -23.38141 8.867951 
1 1 1  -11   15   11 o  171.100   3.6126  1863.32   78.226  1847.55  115.248  1876.80  106.522  170.415   5.3254  171.785   4.8829 -1.369919 7.225106 
1 1 1  -11   15   12 o  227.204   3.3582  3282.48   96.599  3291.41  142.375  3274.87  131.496  227.476   4.9286  226.932   4.5629 0.5439911 6.716452 
1 1 1  -11   15   13 o  181.038   3.5406  2070.36   80.765  2199.26  123.540  1974.14  106.733  185.908   5.2328  176.168   4.7708 9.739594 7.081167 
1 1 1  -11   15   14 o  279.232   3.4135  4957.61  120.868  5016.84  176.200  4904.97  166.113  280.793   4.9413  277.671   4.7108 3.121948 6.827019 
1 1 1  -11   15   15 o   81.274   6.4391  418.178   65.848  455.314  101.695  391.368   86.407   84.319   9.4972   78.228   8.6978 6.091301 12.87822 
1 1 1  -11   15   16 o  128.499   4.5654  1055.99   73.552  1033.75  112.762  1072.46   97.038  127.271   6.9768  129.727   5.8902 -2.455803 9.130723 
1 1 1  -11   15   17 o  285.382   4.9928  5185.86  180.945   0.0000   0.0000  5185.86  180.945  ?   ?   285.382   4.9928      ?      ? 
1 1 1  -11   15   18 o  576.878   7.1165 21262.58  521.350   0.0000   0.0000 21262.58  521.350  ?   ?   576.878   7.1165      ?      ? 
1 1 1  -11   15   19 o  160.232   4.8581  1674.90   95.376  1496.70  151.988  1790.65  122.497  152.905   7.8273  167.560   5.7568 -14.65550 9.716281 
1 1 1  -11   15   20 o  103.208   6.4501  644.262   80.729  823.885  142.108  558.674   98.094  113.090   9.8950   93.327   8.2767 19.76291 12.90023 
1 1 1  -11   15   21 o  231.510   3.8231  3411.72  110.890  3473.80  172.150  3367.70  144.972  233.214   5.8126  229.806   4.9676 3.407959 7.646157 
1 1 1  -11   15   22 f  140.011   5.4634  1263.70   91.709  1249.50  157.742  1270.96  112.716  139.126   8.9282  140.896   6.2995 -1.770203 10.92687 
1 1 1  -11   15   23 o   80.511   12.941  398.634  107.042  583.982  248.635  356.464  118.595   88.790   22.129   72.231   13.423 16.55921 25.88231 
1 1 1  -11   15   24 o   46.718   16.379  140.548  120.097   0.0000   0.0000  140.548  120.097  ?   ?    46.718   16.379      ?      ? 
1 1 1  -11   17    1 o  463.640   4.1902 13681.51  246.622 13815.07  354.405 13556.10  343.407  465.820   5.9911  461.460   5.8600 4.359802 8.380466 
1 1 1  -11   17    2 o  487.313   4.3369 15119.59  268.371 14882.17  377.382 15362.50  381.724  483.440   6.1470  491.185   6.1196 -7.745850 8.673831 
1 1 1  -11   17    3 o  351.949   3.5952  7793.84  159.414  8555.42  244.870  7233.64  210.014  366.683   5.2586  337.216   4.9041 29.46722 7.190479 
1 1 1  -11   17    4 o  300.392   3.4614  5738.73  131.841  5766.55  192.062  5713.93  181.306  301.065   5.0235  299.718   4.7635 1.347382 6.922829 
1 1 1  -11   17    5 o  295.387   3.4357  5551.23  128.853  5410.02  182.035  5693.04  182.417  291.615   4.9155  299.159   4.8016 -7.543610 6.871495 
1 1 1  -11   17    6 o  122.028   4.7151  955.146   72.483  888.971  107.210  1010.86   98.371  118.076   7.1498  125.980   6.1488 -7.903259 9.430147 
1 1 1  -11   17    7 o  160.765   3.8723  1646.80   78.965  1606.58  113.591  1684.42  109.850  158.851   5.6309  162.678   5.3173 -3.826691 7.744695 
1 1 1  -11   17    8 o  221.184   3.4418  3111.81   96.575  3137.42  140.039  3088.58  133.361  222.042   4.9663  220.326   4.7664 1.715820 6.883507 
1 1 1  -11   17    9 o  208.662   3.6260  2772.92   96.023  2721.86  137.481  2821.56  134.174  206.774   5.2356  210.549   5.0181 -3.775208 7.252077 
1 1 1  -11   17   10 o  158.360   4.0403  1595.15   81.024  1628.54  119.669  1566.89  110.099  159.871   5.8943  156.849   5.5274 3.022583 8.080560 
1 1 1  -11   17   11 o  347.342   3.6747  7682.32  162.087  7618.63  228.514  7746.80  229.945  345.893   5.2023  348.792   5.1913 -2.899445 7.349411 
1 1 1  -11   17   12 o   71.892   8.5879  337.028   76.042  403.100  111.619  279.805  103.877   79.133   11.107   64.650   13.101 14.48311 17.17582 
1 1 1  -11   17   13 o   19.337   9.7962 -497.7957   81.356 -427.2529  121.010 -555.9808  109.901   19.337   9.7962  ?   ?       ?      ? 
1 1 1  -11   17   14 o  185.455   6.2461  2194.74  147.104  2194.74  147.104   0.0000   0.0000  185.455   6.2461  ?   ?       ?      ? 
1 1 1  -11   17   15 o  154.001   4.4885  1514.73   87.710  1495.11  126.132  1533.11  122.049  153.016   6.4910  154.986   6.2011 -1.970535 8.976962 
1 1 1  -11   17   16 o  271.470   3.5852  4687.65  123.342  4834.53  181.422  4561.40  168.193  275.393   5.1875  267.547   4.9503 7.845459 7.170467 
1 1 1  -11   17   17 o  188.623   3.9870  2273.44   94.801  2249.10  142.576  2292.74  126.922  187.655   5.9829  189.591   5.2716 -1.935379 7.973974 
1 1 1  -11   17   18 f  106.998   6.0656  724.549   80.325  792.121  131.354  684.187  101.520  110.779   9.3370  103.218   7.7449 7.561188 12.13113 
1 1 1  -11   17   19 o  348.989   3.7596  7771.98  166.035  7901.86  246.235  7663.69  224.839  351.576   5.5151  346.402   5.1111 5.173859 7.519277 
1 1 1  -11   17   20 o   51.231   12.915  164.974  101.411  149.746  183.119  171.710  121.792   51.892   19.872   50.571   16.501 1.320263 25.82969 
1 1 1  -11   17   21 o   30.540   10.097 -122.9945   97.284 -63.9884  144.204 -172.2820  131.794   33.788   15.364   27.291   13.104 6.497089 20.19337 
1 1 1  -11   17   22 o  ?   ?  -577.3841  103.656 -577.3841  103.656   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -11   19    1 f  180.226   4.3770  2059.03   99.095  1668.55  134.790  2518.32  146.187  161.694   6.5643  198.757   5.7917 -37.06335 8.754069 
1 1 1  -11   19    2 o  113.263   9.1604  822.654  131.758  822.654  131.758   0.0000   0.0000  113.263   9.1604  ?   ?       ?      ? 
1 1 1  -11   19    3 o  159.270   6.1106  1811.35  102.932  700.287  145.475  2925.29  145.662  104.267   10.987  214.273   5.3531 -110.0054 12.22129 
1 1 1  -11   19    5 o  407.531   5.8394 10590.59  302.207 10590.59  302.207   0.0000   0.0000  407.531   5.8394  ?   ?       ?      ? 
1 1 1  -11   19    6 o   99.569   7.8558  639.662   99.133  636.558  144.630  642.412  136.144   99.290   11.470   99.848   10.737 -0.5583725 15.71150 
1 1 1  -11   19    7 o  180.023   4.5108  2069.09  103.081  1994.64  145.419  2144.29  146.141  176.753   6.4785  183.294   6.2784 -6.541092 9.021617 
1 1 1  -11   19    8 f   65.757   10.769  293.542   88.087  302.058  127.648  285.799  121.712   66.649   15.392   64.866   15.064 1.783562 21.53707 
1 1 1  -11   19    9 o   56.235   10.867  211.646   82.730  289.805  117.798  135.573  116.215   65.378   14.562   47.091   16.133 18.28701 21.73305 
1 1 1  -11   19   10 o   40.140   10.900   70.943   78.774  101.639  113.447   42.363  109.467   43.208   15.824   37.072   14.996 6.135883 21.80096 
1 1 1  -11   19   11 o  184.731   4.1920  2162.23   97.804  2334.08  148.007  2029.02  130.308  191.168   6.0966  178.294   5.7551 12.87326 8.383941 
1 1 1  -11   19   12 o  122.521   5.6467  971.411   87.037  890.325  128.709  1039.74  118.147  117.663   8.6137  127.379   7.3037 -9.716545 11.29341 
1 1 1  -11   19   13 o   89.153   7.2648  522.857   79.955  476.566  125.589  554.407  103.683   85.549   11.560   92.758   8.8019 -7.209000 14.52956 
1 1 1  -11   19   14 o  215.577   3.9332  2982.35  107.202  2799.39  155.925  3146.37  147.628  209.201   5.8691  221.952   5.2376 -12.75171 7.866338 
1 1 1  -11   19   15 o  171.553   4.2379  1879.13   92.102  1970.21  136.121  1802.22  125.082  175.345   6.1130  167.762   5.8712 7.582748 8.475801 
1 1 1  -11   19   16 o   58.961   11.197  248.698   83.427  218.715  144.348  263.737  102.231   56.130   17.933   61.792   13.413 -5.661308 22.39426 
1 1 1  -11   19   17 o   78.436   10.231  426.556   98.760  405.638  148.114  443.302  132.520   75.560   15.937   81.313   12.833 -5.753380 20.46200 
1 1 1  -11   19   18 o   20.613   10.391 -515.2064  108.434 -383.4731  126.483 -880.5196  210.628   20.613   10.391  ?   ?       ?      ? 
1 1 1  -11   19   19 o   72.201   13.334  420.531  128.326  516.085  165.024  274.365  204.101   84.249   16.009   60.153   21.327 24.09667 26.66747 
1 1 1  -11   21    1 o  115.898   6.1513  868.537   89.658  849.802  135.748  883.034  119.409  114.653   9.3234  117.143   8.0268 -2.490402 12.30261 
1 1 1  -11   21    2 o  104.863   6.5726  732.383   84.571  601.384  129.891  828.780  111.424   96.187   10.634  113.539   7.7278 -17.35197 13.14512 
1 1 1  -11   21    3 o   53.381   11.430  189.514   83.722  227.173  128.289  161.577  110.495   57.416   16.634   49.346   15.682 8.069561 22.86067 
1 1 1  -11   21    4 o  281.194   3.7911  5051.36  135.217  5067.15  196.210  5037.07  186.602  281.571   5.4873  280.817   5.2326 0.7540283 7.582215 
1 1 1  -11   21    5 o   75.995   9.3140  381.343   87.499  444.756  132.294  332.032  116.661   82.214   12.671   69.776   13.654 12.43743 18.62804 
1 1 1  -11   21    6 o  153.712   4.7159  1506.35   91.703  1627.08  137.245  1408.97  123.255  159.211   6.7881  148.212   6.5485 10.99951 9.431896 
1 1 1  -11   21    7 o   29.935   9.5827 -62.0157   80.408 -139.2624  124.543  -6.8022  105.294   27.737   13.155   32.133   13.937 -4.396708 19.16541 
1 1 1  -11   21    8 o   94.673   7.0424  581.605   84.158  607.812  127.237  561.223  112.209   96.452   10.388   92.893   9.5119 3.558830 14.08487 
1 1 1  -11   21    9 o   60.907   10.873  256.300   82.981  289.926  130.736  233.613  107.386   64.010   16.099   57.803   14.619 6.207207 21.74597 
1 1 1  -11   21   10 o   41.035   10.706   78.588   83.429 -53.4236  131.670  167.138  107.839   32.738   14.805   49.332   15.469 -16.59392 21.41231 
1 1 1  -11   21   11 o  106.764   6.7977  745.893   91.871  765.471  136.139  729.523  124.491  107.934   9.9322  105.594   9.2837 2.340256 13.59547 
1 1 1  -11   21   12 o  106.489   7.4944  737.239  100.359  879.826  154.819  633.900  131.801  115.204   10.582   97.774   10.615 17.43004 14.98876 
1 1 1  -11   21   13 o  266.022   5.5530  4618.52  187.382  4398.99  266.141  4834.31  263.869  259.548   8.0745  272.495   7.6252 -12.94693 11.10590 
1 1 1  -11   21   14 f  165.892   6.7354  1838.57  139.770  1730.51  212.868  1920.47  185.313  160.883   10.419  170.900   8.5386 -10.01683 13.47070 
1 1 1  -11   21   15 o   52.868   13.716  201.376  119.617  224.338  183.083  184.274  158.002   54.847   20.099   50.889   18.669 3.958179 27.43183 
1 1 1  -11   21   16 o  142.294   7.2372  1367.66  129.850  1391.54  196.087  1349.02  173.290  142.895   10.806  141.693   9.6304 1.201767 14.47442 
1 1 1  -11   23    1 o  109.480   7.1237  804.482   98.242  764.268  146.040  837.723  132.776  106.569   10.791  112.391   9.3028 -5.821457 14.24738 
1 1 1  -11   23    2 o  135.769   5.8987  1207.97  100.428  1241.02  155.547  1184.34  131.512  137.006   8.9401  134.532   7.6977 2.474167 11.79748 
1 1 1  -11   23    3 o   33.817   10.798 -37.1002   98.554 -45.6162  143.761 -29.5492  135.371   33.888   15.383   33.745   15.158 0.1430054 21.59651 
1 1 1  -11   23    4 o  124.920   6.5316  1044.41  102.396  966.297  153.162  1107.53  137.691  120.170   10.036  129.670   8.3616 -9.499832 13.06311 
1 1 1  -11   23    5 o   65.362   11.488  317.660   95.373  384.597  141.347  261.715  129.223   71.898   15.902   58.826   16.584 13.07269 22.97619 
1 1 1  -11   23    6 o   81.765   9.1500  471.754   92.107  446.549  136.107  493.048  125.105   78.631   14.151   84.899   11.604 -6.267166 18.29997 
1 1 1  -11   23    7 o   77.329   9.6030  424.640   91.092  438.290  140.389  414.715  119.715   77.225   14.855   77.434   12.174 -0.2089157 19.20605 
1 1 1  -11   23    8 o  186.245   4.6155  2283.52  107.523  2117.57  163.171  2410.88  142.949  179.717   7.1495  192.774   5.8392 -13.05759 9.231063 
1 1 1  -11   23    9 o   83.966   11.689  546.022  120.697  455.188  179.182  621.471  163.304   74.837   18.861   93.096   13.813 -18.25897 23.37793 
1 1 1  -11   23   10 o   96.686   10.984  713.050  126.784  904.570  178.360  517.438  180.256  113.196   12.408   80.177   18.129 33.01975 21.96828 
1 1 1  -11   23   11 o   66.188   13.781  375.075  124.009  333.427  171.278  420.962  179.783   62.242   19.492   70.133   19.487 -7.891430 27.56220 
1 1 1  -10    0    1 o  529.223   4.4054 17794.50  418.580 17794.50  418.580 17794.50  418.580  529.223   6.2301  529.223   6.2301 -0.000000 0.000000 
1 1 1  -10    0    2 o  145.542   2.3924  1347.26   62.458  1347.26   62.458  1347.26   62.458  145.542   3.3834  145.542   3.3834 -0.000000 0.000000 
1 1 1  -10    0    3 o  1301.84   14.379 107909.50  3360.04 107909.50  3360.04 107909.50  3360.04  1301.84   20.335  1301.84   20.335 -0.000000 0.000000 
1 1 1  -10    0    4 o  674.815   5.4693 28934.97  662.640 28934.97  662.640 28934.97  662.640  674.815   7.7347  674.815   7.7347 -0.000000 0.000000 
1 1 1  -10    0    5 o  273.522   2.8788  4754.04  141.345  4754.04  141.345  4754.04  141.345  273.522   4.0712  273.522   4.0712 -0.000000 0.000000 
1 1 1  -10    0    6 o  519.227   4.3906 17129.79  409.289 17129.79  409.289 17129.79  409.289  519.227   6.2092  519.227   6.2092 -0.000000 0.000000 
1 1 1  -10    0    7 o  343.829   3.3361  7511.75  205.915  7511.75  205.915  7511.75  205.915  343.829   4.7179  343.829   4.7179 -0.000000 0.000000 
1 1 1  -10    0    8 f  311.703   3.2149  6174.02  179.885  6174.02  179.885  6174.02  179.885  311.703   4.5466  311.703   4.5466 -0.000000 0.000000 
1 1 1  -10    0    9 o  429.949   3.9007 11745.78  301.085 11745.78  301.085 11745.78  301.085  429.949   5.5164  429.949   5.5164 -0.000000 0.000000 
1 1 1  -10    0   10 o  583.900   4.9206 21663.92  515.835 21663.92  515.835 21663.92  515.835  583.900   6.9588  583.900   6.9588 -0.000000 0.000000 
1 1 1  -10    0   11 o  168.095   3.8632  1800.13  116.346  1800.13  116.346  1800.13  116.346  168.095   5.4634  168.095   5.4634 -0.000000 0.000000 
1 1 1  -10    0   12 o  279.132   3.5890  4952.91  179.785  4952.91  179.785  4952.91  179.785  279.132   5.0756  279.132   5.0756 -0.000000 0.000000 
1 1 1  -10    0   13 o  260.347   3.0530  4307.81  142.660  4307.81  142.660  4307.81  142.660  260.347   4.3176  260.347   4.3176 -0.000000 0.000000 
1 1 1  -10    0   14 o  148.733   3.4745  1409.41   92.581  1409.41   92.581  1409.41   92.581  148.733   4.9137  148.733   4.9137 -0.000000 0.000000 
1 1 1  -10    0   15 o   18.344   8.6080 -21.2089   75.206 -21.2089   75.206 -21.2089   75.206   18.344   12.174   18.344   12.174 -0.000000 0.000000 
1 1 1  -10    0   16 o  1272.13   9.9864 102886.80  2280.93 102886.80  2280.93 102886.80  2280.93  1272.13   14.123  1272.13   14.123 -0.000000 0.000000 
1 1 1  -10    0   17 o  1115.30   8.8200 79068.03  1766.16 79068.03  1766.16 79068.03  1766.16  1115.30   12.473  1115.30   12.473 -0.000000 0.000000 
1 1 1  -10    0   19 o   72.641   9.2310  366.055  108.859  366.055  108.859  366.055  108.859   72.641   13.055   72.641   13.055 -0.000000 0.000000 
1 1 1  -10    0   21 o   19.760   9.4929 -56.2652  101.902 -56.2652  101.902 -56.2652  101.902   19.760   13.425   19.760   13.425 -0.000000 0.000000 
1 1 1  -10    0   22 o  342.451   3.9728  7457.67  244.188  7457.67  244.188  7457.67  244.188  342.451   5.6184  342.451   5.6184 -0.000000 0.000000 
1 1 1  -10    0   23 o  201.759   4.3413  2594.43  156.976  2594.43  156.976  2594.43  156.976  201.759   6.1395  201.759   6.1395 -0.000000 0.000000 
1 1 1  -10    0   24 o   34.624   13.457  107.020  120.781  107.020  120.781  107.020  120.781   34.624   19.031   34.624   19.031 -0.000000 0.000000 
1 1 1  -10    0   25 o  288.740   4.0637  5306.21  210.537  5306.21  210.537  5306.21  210.537  288.740   5.7469  288.740   5.7469 -0.000000 0.000000 
1 1 1  -10    0   26 o   96.891   8.1003  623.744  135.773  623.744  135.773  623.744  135.773   96.891   11.456   96.891   11.456 -0.000000 0.000000 
1 1 1  -10    0   27 o  112.360   7.5353  827.487  148.915  827.487  148.915  827.487  148.915  112.360   10.657  112.360   10.657 -0.000000 0.000000 
1 1 1  -10    0   28 o   26.514   12.413 -34.8324  154.955 -34.8324  154.955 -34.8324  154.955   26.514   17.555   26.514   17.555 -0.000000 0.000000 
1 1 1  -10    0   29 o   40.651   16.011  149.886  173.566  149.886  173.566  149.886  173.566   40.651   22.643   40.651   22.643 -0.000000 0.000000 
1 1 1  -10    0   30 o   60.587   16.715  328.845  173.653  328.845  173.653  328.845  173.653   60.587   23.638   60.587   23.638 -0.000000 0.000000 
1 1 1  -10    0   31 o   93.077   12.059  615.914  181.585  615.914  181.585  615.914  181.585   93.077   17.054   93.077   17.054 -0.000000 0.000000 
1 1 1  -10    0   32 o  106.958   8.9940  772.347  166.322  772.347  166.322  772.347  166.322  106.958   12.719  106.958   12.719 -0.000000 0.000000 
1 1 1  -10    0   33 o   15.200   7.8881 -373.8635  142.972 -373.8635  142.972 -373.8635  142.972   15.200   11.155   15.200   11.155 -0.000000 0.000000 
1 1 1  -10    0   34 o   20.219   10.119 -169.3780  151.322 -169.3780  151.322 -169.3780  151.322   20.219   14.311   20.219   14.311 -0.000000 0.000000 
1 1 1  -10    0   35 o   24.675   11.828 -48.2406  156.452 -48.2406  156.452 -48.2406  156.452   24.675   16.727   24.675   16.727 -0.000000 0.000000 
1 1 1  -10    2    1 o  659.895   5.3532 27641.40  448.302 27025.43  620.305 28314.91  648.635  652.210   7.4893  667.580   7.6510 -15.37000 10.70642 
1 1 1  -10    2    2 o  864.376   6.8619 47486.28  753.215 47317.46  1061.09 47657.75  1069.37  862.829   9.6839  865.923   9.7246 -3.093506 13.72390 
1 1 1  -10    2    3 o  700.558   5.6629 31034.31  502.048 32924.14  748.922 29491.93  676.583  719.823   8.1928  681.293   7.8200 38.52979 11.32587 
1 1 1  -10    2    4 o  674.282   5.4823 28834.69  468.769 27936.85  642.471 29856.81  685.499  663.086   7.6297  685.479   7.8747 -22.39191 10.96463 
1 1 1  -10    2    5 o  416.314   3.7260 11000.76  196.911 11304.29  283.302 10717.06  273.887  421.865   5.2881  410.763   5.2505 11.10260 7.451959 
1 1 1  -10    2    6 o  306.720   3.1565  5969.51  122.889  6216.00  176.760  5738.91  170.967  312.843   4.4492  300.597   4.4787 12.24579 6.312983 
1 1 1  -10    2    7 f  320.083   3.2775  6499.83  133.054  6368.99  182.873  6646.99  193.949  316.666   4.5475  323.500   4.7210 -6.833588 6.554971 
1 1 1  -10    2    8 o  452.918   5.6920 13030.88  327.388 13030.88  327.388   0.0000   0.0000  452.918   5.6920  ?   ?       ?      ? 
1 1 1  -10    2    9 o  1019.96   9.3995 64443.95  1016.94 63061.48  1149.46 69423.52  2181.55  996.054   9.0873  1043.86   16.457 -47.80371 18.79910 
1 1 1  -10    2   10 o  290.392   3.5294  5489.17  117.560  5679.42  140.365  5042.14  215.159  299.049   3.6961  281.734   6.0137 17.31497 7.058713 
1 1 1  -10    2   11 o  610.463   5.8408 23507.74  390.988 23339.58  450.045 24025.32  789.542  606.162   5.8464  614.765   10.113 -8.602905 11.68150 
1 1 1  -10    2   12 o  282.519   3.9321  5116.03  139.036  5383.90  184.628  4765.13  211.317  291.148   4.9935  273.889   6.0755 17.25931 7.864263 
1 1 1  -10    2   13 o  313.601   4.0902  6216.27  154.879  6149.45  190.889  6345.00  264.953  311.164   4.8307  316.038   6.6016 -4.874054 8.180311 
1 1 1  -10    2   14 o  713.061   6.7504 32040.06  526.969 31776.90  605.935 32856.92  1067.57  707.266   6.7463  718.855   11.694 -11.58954 13.50074 
1 1 1  -10    2   15 o  217.168   4.8584  2957.08  133.103  3436.35  201.428  2585.60  177.336  232.587   6.8196  201.750   6.9216 30.83670 9.716743 
1 1 1  -10    2   16 o  511.349   6.6648 16609.69  432.796 16609.69  432.796   0.0000   0.0000  511.349   6.6648  ?   ?       ?      ? 
1 1 1  -10    2   18 o  559.517   4.9093 19792.63  347.089 20799.46  522.303 18996.36  464.485  572.189   7.1880  546.844   6.6885 25.34479 9.818505 
1 1 1  -10    2   19 o  566.613   4.9305 20362.54  353.978 20891.39  521.032 19909.21  482.398  573.425   7.1550  559.801   6.7857 13.62439 9.861016 
1 1 1  -10    2   20 o  237.808   5.0006  3592.60  151.017   0.0000   0.0000  3592.60  151.017  ?   ?   237.808   5.0006      ?      ? 
1 1 1  -10    2   21 o  249.937   3.8625  3973.58  120.532  3954.29  188.317  3986.96  156.875  249.400   5.9459  250.475   4.9319 -1.075684 7.725062 
1 1 1  -10    2   22 o  222.523   4.0324  3138.17  112.566  3216.15  174.215  3082.28  147.486  224.863   6.1009  220.182   5.2746 4.681274 8.064875 
1 1 1  -10    2   23 o  217.925   4.0450  3020.49  111.195  3023.53  167.243  3018.08  148.865  218.001   6.0410  217.848   5.3810 0.1523895 8.090039 
1 1 1  -10    2   24 o  170.456   4.9381  1864.00  104.895  1776.63  162.884  1925.91  137.112  166.963   7.6821  173.948   6.2069 -6.984879 9.876277 
1 1 1  -10    2   25 o  230.518   5.7122  3382.13  167.219   0.0000   0.0000  3382.13  167.219  ?   ?   230.518   5.7122      ?      ? 
1 1 1  -10    2   26 o  391.542   5.8714  9763.49  291.943   0.0000   0.0000  9763.49  291.943  ?   ?   391.542   5.8714      ?      ? 
1 1 1  -10    2   27 o   49.439   12.479  116.926   99.570  220.518  161.501   53.405  126.465   58.539   18.997   40.339   16.188 18.20055 24.95870 
1 1 1  -10    2   28 o  213.922   7.4531  2924.75  202.475   0.0000   0.0000  2924.75  202.475  ?   ?   213.922   7.4531      ?      ? 
1 1 1  -10    2   29 o  110.221   8.5867  786.568  120.164  766.991  168.048  807.049  171.891  108.815   12.161  111.627   12.126 -2.811813 17.17330 
1 1 1  -10    2   30 o   62.641   13.886  249.851  124.475  363.449  192.538  168.279  163.156   72.115   20.212   53.166   19.045 18.94961 27.77116 
1 1 1  -10    2   31 o  100.989   9.9768  671.558  127.206  711.776  192.474  640.367  169.500  103.496   14.644   98.482   13.553 5.014114 19.95357 
1 1 1  -10    2   32 o   55.717   13.660  202.446  119.879  271.865  174.703  140.675  164.799   61.715   19.730   49.719   18.896 11.99646 27.31942 
1 1 1  -10    2   33 o   29.854   9.9337 -144.4372   99.461 -50.5754  139.125 -242.5566  142.246   33.488   15.174   26.220   12.824 7.268068 19.86732 
1 1 1  -10    2   34 o   61.944   18.098  298.186  151.292  298.186  151.292   0.0000   0.0000   61.944   18.098  ?   ?       ?      ? 
1 1 1  -10    2   35 o   47.754   12.875  159.257  109.252  105.065  146.586  226.978  163.866   42.503   17.295   53.005   19.076 -10.50175 25.74915 
1 1 1  -10    4    1 o   61.205   4.6641  253.286   33.919  327.328   45.744  162.854   50.554   71.787   5.0177   50.623   7.8637 21.16372 9.328230 
1 1 1  -10    4    2 o  551.557   4.6386 19257.45  324.177 20356.45  478.463 18324.81  440.763  566.047   6.6561  537.067   6.4625 28.98010 9.277234 
1 1 1  -10    4    3 o  386.702   3.5822  9426.03  175.185 10322.56  262.732  8708.35  235.069  403.130   5.1320  370.274   4.9991 32.85593 7.164434 
1 1 1  -10    4    4 o  196.292   3.0114  2443.06   70.449  2435.38   85.830  2458.92  123.331  195.828   3.4513  196.756   4.9359 -0.9275665 6.022839 
1 1 1  -10    4    5 o  557.763   5.3402 19900.42  332.532 20047.31  387.748 19492.02  646.542  561.783   5.4351  553.744   9.1941 8.038940 10.68044 
1 1 1  -10    4    6 o  117.214   3.0096  824.281   41.666  750.385   49.495  1004.02   77.192  108.700   3.5855  125.727   4.8347 -17.02687 6.019129 
1 1 1  -10    4    7 o  413.337   4.2336 10858.96  195.860 10865.42  228.307 10840.94  381.163  413.616   4.3465  413.059   7.2664 0.5561829 8.467194 
1 1 1  -10    4    8 o  764.042   7.0819 37062.62  596.264 37013.02  689.019 37210.53  1189.88  763.256   7.1086  764.828   12.251 -1.572266 14.16372 
1 1 1  -10    4    9 o  564.412   5.4129 20398.52  342.985 20581.13  401.348 19904.01  660.454  569.224   5.5521  559.601   9.2937 9.622437 10.82582 
1 1 1  -10    4   10 o  727.152   6.7699 33674.40  545.956 33744.43  633.504 33472.23  1076.32  728.808   6.8448  725.497   11.682 3.310669 13.53985 
1 1 1  -10    4   11 o  220.274   3.5414  3102.98   98.330  3464.34  137.212  2721.48  140.983  233.553   4.6263  206.995   5.3633 26.55765 7.082850 
1 1 1  -10    4   12 o  808.673   7.4956 41488.12  669.341 41400.50  774.126 41747.63  1332.31  807.226   7.5516  810.119   12.950 -2.893188 14.99119 
1 1 1  -10    4   13 o  906.110   8.3608 51799.65  829.555 51408.77  954.139 53010.12  1679.06  899.481   8.3530  912.739   14.486 -13.25757 16.72152 
1 1 1  -10    4   14 o  957.442   8.8438 57364.90  915.514 56548.95  1045.08 60057.09  1898.33  943.384   8.7234  971.499   15.387 -28.11517 17.68769 
1 1 1  -10    4   15 o  710.130   6.8682 30816.98  521.886 29825.03  590.605 34351.00  1114.77  685.213   6.7872  735.046   11.942 -49.83301 13.73639 
1 1 1  -10    4   16 o  525.367   9.1535 17539.15  610.702   0.0000   0.0000 17539.15  610.702  ?   ?   525.367   9.1535      ?      ? 
1 1 1  -10    4   17 o  733.869   6.9914 34086.19  572.444 33931.02  665.275 34528.76  1123.51  730.830   7.1682  736.908   12.006 -6.077942 13.98276 
1 1 1  -10    4   18 o  320.870   5.2107  6460.69  210.528  7152.33  324.445  5957.68  276.688  335.514   7.6147  306.227   7.1149 29.28714 10.42140 
1 1 1  -10    4   19 o  431.161   4.2283 11813.32  229.640 11789.74  347.428 11831.62  306.019  430.763   6.3511  431.559   5.5838 -0.7960510 8.456675 
1 1 1  -10    4   20 o  378.416   3.9982  9111.14  189.819  9033.53  291.368  9168.38  250.199  376.987   6.0861  379.845   5.1868 -2.858002 7.996463 
1 1 1  -10    4   21 o  155.748   4.6996  1592.27   86.721  1400.35  147.890  1692.85  107.059  148.309   7.8523  163.187   5.1661 -14.87820 9.399285 
1 1 1  -10    4   22 o   51.916   12.620  179.373   82.390   0.0000   0.0000  179.373   82.390  ?   ?    51.916   12.620      ?      ? 
1 1 1  -10    4   23 o  211.294   4.1805  2787.08  106.537  3009.31  184.986  2676.80  130.320  217.416   6.6999  205.172   5.0017 12.24460 8.360951 
1 1 1  -10    4   24 o  113.003   6.4519  785.819   86.986  901.190  156.265  734.018  104.708  118.702   10.366  107.303   7.6841 11.39897 12.90374 
1 1 1  -10    4   25 f  129.992   5.9225  1089.64   93.019  1043.36  156.239  1115.05  115.773  127.717   9.6330  132.268   6.8925 -4.550980 11.84490 
1 1 1  -10    4   26 o  330.064   4.1630  6957.72  170.778  6853.98  269.827  7027.04  220.581  327.891   6.4800  332.237   5.2281 -4.345154 8.326085 
1 1 1  -10    4   27 o   53.213   11.939  179.905   88.151  197.331  146.002  169.909  110.582   55.490   18.065   50.936   15.615 4.554665 23.87813 
1 1 1  -10    4   28 o  224.725   6.4584  3223.79  184.311   0.0000   0.0000  3223.79  184.311  ?   ?   224.725   6.4584      ?      ? 
1 1 1  -10    4   29 o   43.957   11.140   28.864  102.120 -215.3629  151.113  234.152  138.544   29.059   13.974   58.855   17.354 -29.79549 22.28023 
1 1 1  -10    4   30 o  109.830   8.7502  802.646  118.486  714.469  185.070  863.892  154.240  104.199   13.986  115.461   10.519 -11.26192 17.50039 
1 1 1  -10    4   31 o   90.833   10.741  556.272  117.534  580.829  190.949  541.292  149.132   91.197   17.116   90.470   12.980 0.7269440 21.48166 
1 1 1  -10    4   32 o   69.012   11.513  347.348  104.938  210.384  154.504  464.636  142.975   55.055   18.603   82.969   13.570 -27.91397 23.02657 
1 1 1  -10    4   33 o  128.237   7.1610  1069.68  115.052  1244.73  181.822  952.778  148.581  136.588   10.482  119.887   9.7592 16.70097 14.32202 
1 1 1  -10    4   34 o   89.008   10.076  574.322  110.333  529.530  161.235  613.767  151.306   84.302   15.636   93.714   12.714 -9.412140 20.15273 
1 1 1  -10    4   35 o   77.092   18.807  499.693  182.491  499.693  182.491   0.0000   0.0000   77.092   18.807  ?   ?       ?      ? 
1 1 1  -10    6    1 o  279.686   3.3704  4686.83  102.750  4442.98  116.772  5523.18  216.255  264.503   3.4764  294.870   5.7751 -30.36679 6.740706 
1 1 1  -10    6    2 o  419.036   4.5668 11177.12  232.342 11230.59  289.303 11079.98  389.946  420.483   5.4179  417.589   7.3532 2.893433 9.133624 
1 1 1  -10    6    3 o  149.818   3.0128  1437.07   52.740  1455.44   63.433  1395.91   94.922  151.389   3.2994  148.247   5.0420 3.141678 6.025597 
1 1 1  -10    6    4 o  188.406   3.0060  2277.07   66.143  2313.25   79.588  2196.30  118.923  190.857   3.2837  185.954   5.0360 4.903381 6.011957 
1 1 1  -10    6    5 o  710.333   5.7268 32036.92  516.279 32790.75  746.164 31344.59  715.086  718.337   8.1795  702.329   8.0175 16.00781 11.45362 
1 1 1  -10    6    6 o  501.982   4.2358 16004.72  269.998 16153.42  384.976 15860.77  378.769  504.275   6.0116  499.688   5.9689 4.587311 8.471565 
1 1 1  -10    6    7 f  183.007   3.0723  2099.56   66.986  2205.81  118.547  2049.73   81.190  186.358   5.0092  179.657   3.5586 6.701477 6.144546 
1 1 1  -10    6    8 o  765.286   6.1394 37167.00  596.036 36154.59  820.538 38297.96  867.246  754.277   8.5662  776.295   8.7971 -22.01880 12.27879 
1 1 1  -10    6    9 o  393.041   3.5328  9794.80  176.152  9450.92  242.468 10179.17  256.345  385.749   4.9496  400.333   5.0423 -14.58438 7.065630 
1 1 1  -10    6   10 o  392.919   3.5603  9787.79  177.430 10150.25  258.915  9466.86  243.630  399.764   5.1001  386.075   4.9692 13.68921 7.120623 
1 1 1  -10    6   11 o  249.894   2.9082  3947.60   92.006  3545.58  125.823  4409.59  134.881  236.282   4.1932  263.505   4.0307 -27.22318 5.816372 
1 1 1  -10    6   12 o  264.717   3.8473  4480.00  118.377  4377.80  215.362  4524.25  141.703  262.524   6.4598  266.910   4.1806 -4.385223 7.694613 
1 1 1  -10    6   13 o  361.447   3.5409  8297.71  162.367  8285.39  234.889  8308.98  224.695  361.188   5.1210  361.705   4.8917 -0.5173035 7.081881 
1 1 1  -10    6   14 o  761.061   6.1682 36795.09  596.076 36326.11  834.731 37283.08  851.476  756.115   8.6932  766.006   8.7531 -9.891235 12.33650 
1 1 1  -10    6   15 f  489.242   4.3985 15207.27  273.153 15084.88  391.464 15323.41  381.328  487.320   6.3256  491.164   6.1136 -3.843933 8.797089 
1 1 1  -10    6   16 o  416.828   5.4243 11035.45  287.131   0.0000   0.0000 11035.45  287.131  ?   ?   416.828   5.4243      ?      ? 
1 1 1  -10    6   17 o  454.014   4.1658 13080.57  239.529 13265.88  353.144 12922.67  325.976  456.984   6.0852  451.046   5.6910 5.938080 8.331675 
1 1 1  -10    6   18 o  275.080   3.6419  4820.38  124.717  4737.63  196.001  4876.68  161.670  273.078   5.6519  277.082   4.5946 -4.004456 7.283797 
1 1 1  -10    6   19 o  196.876   3.8383  2464.52   92.980  2458.30  151.467  2468.27  117.785  196.655   6.0650  197.096   4.7058 -0.4413910 7.676535 
1 1 1  -10    6   20 o  151.619   4.8873  1481.75   85.568  1416.57  156.491  1509.55  102.198  149.142   8.2625  154.096   5.2224 -4.954224 9.774632 
1 1 1  -10    6   21 o  179.808   4.2510  2089.26   77.828  2002.09  171.565  2111.85   87.330  177.310   7.6193  182.306   3.7721 -4.996536 8.501957 
1 1 1  -10    6   22 o  330.598   3.9737  7059.49  163.053  6381.65  252.019  7547.51  213.841  316.666   6.2669  344.531   4.8875 -27.86566 7.947439 
1 1 1  -10    6   23 o  192.500   4.2828  2323.24   96.811  2451.52  176.193  2267.76  115.869  196.164   7.0728  188.837   4.8317 7.327438 8.565644 
1 1 1  -10    6   24 o  209.278   4.8516  2860.81  111.081  2652.99  219.398  2932.45  128.811  203.839   8.4755  214.717   4.7240 -10.87788 9.703150 
1 1 1  -10    6   25 o   36.539   10.068   35.747   77.055 -215.5034  157.249  115.140   88.395   30.101   14.416   42.977   14.059 -12.87616 20.13678 
1 1 1  -10    6   26 o  173.144   4.9136  1904.51  101.086  1938.90  178.404  1888.25  122.679  174.133   8.0677  172.154   5.6115 1.978577 9.827276 
1 1 1  -10    6   28 o   32.511   10.643 -98.4120   97.711 -129.6430  171.895 -83.5035  118.765   35.235   16.297   29.787   13.694 5.448277 21.28664 
1 1 1  -10    6   29 o   84.755   11.603  541.962  110.101  352.721  197.214  627.653  132.708   71.035   20.636   98.474   10.612 -27.43949 23.20502 
1 1 1  -10    6   30 o  157.140   6.3635  1643.51  119.379  1446.40  200.085  1752.46  148.758  149.076   10.569  165.204   7.0906 -16.12772 12.72706 
1 1 1  -10    6   31 o   62.440   11.344  215.390  106.954  536.984  171.638   11.244  136.751   87.491   16.039   37.388   16.048 50.10316 22.68875 
1 1 1  -10    6   32 o  ?   ?  -850.7412  169.639 -850.7412  169.639   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -10    6   33 o   53.581   12.714  209.375  106.174  128.046  148.720  293.917  151.629   45.676   17.795   61.485   18.162 -15.80992 25.42700 
1 1 1  -10    6   34 o  100.304   11.462  700.646  146.004  700.646  146.004   0.0000   0.0000  100.304   11.462  ?   ?       ?      ? 
1 1 1  -10    8    1 o  397.286   3.5557 10000.32  179.122 10464.53  262.267  9594.49  245.224  405.904   5.0879  388.667   4.9683 17.23743 7.111340 
1 1 1  -10    8    2 o  344.172   3.2304  7467.71  140.595  8137.90  211.001  6932.54  188.551  357.957   4.6417  330.388   4.4939 27.56912 6.460699 
1 1 1  -10    8    3 o  179.751   2.6036  2051.48   59.423  1999.39   83.448  2105.06   84.639  177.436   3.7034  182.065   3.6607 -4.628967 5.207282 
1 1 1  -10    8    4 o  547.657   5.5750 19156.12  368.108 18739.92  625.004 19377.16  455.492  543.018   9.0634  552.295   6.4943 -9.276306 11.14993 
1 1 1  -10    8    5 o  365.119   4.1120  8494.58  180.655  8552.06  222.784  8384.20  308.714  366.951   4.7808  363.288   6.6916 3.662811 8.223924 
1 1 1  -10    8    6 o  523.236   4.4069 17362.75  292.509 16809.44  402.444 17982.41  425.892  514.416   6.1605  532.056   6.3032 -17.64026 8.813754 
1 1 1  -10    8    7 o  532.248   4.4793 17995.13  302.760 17935.20  427.630 18055.37  428.706  531.359   6.3373  533.136   6.3320 -1.777344 8.958564 
1 1 1  -10    8    8 f  796.516   6.3730 40311.28  644.565 40684.62  919.786 39951.01  903.538  800.136   9.0520  792.895   8.9733 7.241150 12.74595 
1 1 1  -10    8    9 o  806.019   9.1334 41283.52  934.875 41283.52  934.875   0.0000   0.0000  806.019   9.1334  ?   ?       ?      ? 
1 1 1  -10    8   10 o  327.893   3.2622  6825.19  135.779  6920.45  195.368  6736.18  188.840  330.105   4.6604  325.682   4.5659 4.423370 6.524303 
1 1 1  -10    8   11 o  548.636   4.6656 19115.69  324.990 19309.40  465.559 18931.59  453.873  551.344   6.6493  545.927   6.5467 5.417175 9.331239 
1 1 1  -10    8   12 o  420.231   3.9051 11211.37  208.303 11364.73  299.928 11068.47  289.517  423.004   5.5834  417.457   5.4612 5.547302 7.810123 
1 1 1  -10    8   13 o  538.859   4.6168 18373.02  315.169 17450.20  427.926 19467.04  465.929  524.132   6.4291  553.586   6.6276 -29.45398 9.233555 
1 1 1  -10    8   14 o  257.406   3.3027  4203.52  107.270  4247.63  161.467  4168.66  143.518  258.611   4.9165  256.202   4.4111 2.409119 6.605315 
1 1 1  -10    8   15 o  370.053   3.6223  8685.71  169.890  8879.89  249.317  8517.39  232.125  373.905   5.2506  366.200   4.9914 7.705902 7.244565 
1 1 1  -10    8   16 o  528.636   4.5690 17756.85  306.649 17710.68  438.515 17801.03  428.976  527.959   6.5404  529.313   6.3818 -1.353210 9.138083 
1 1 1  -10    8   17 o  330.673   3.5131  6926.54  146.658  7132.42  221.070  6764.71  195.998  335.039   5.1958  326.308   4.7298 8.731628 7.026254 
1 1 1  -10    8   18 o  163.620   4.0994  1699.84   81.599  1709.91  136.840  1694.28  101.648  163.965   6.5718  163.275   4.9023 0.6910248 8.198861 
1 1 1  -10    8   19 o  128.578   4.7039  1030.38   72.990  1120.22  126.765  985.820   89.273  132.647   7.5253  124.508   5.6460 8.139107 9.407848 
1 1 1  -10    8   20 o  257.840   5.9488  4229.31  194.787  4229.31  194.787   0.0000   0.0000  257.840   5.9488  ?   ?       ?      ? 
1 1 1  -10    8   21 o   78.538   8.0692  376.578   73.476  439.650  139.691  352.454   86.392   82.764   13.291   74.313   9.1545 8.450829 16.13847 
1 1 1  -10    8   22 o  150.196   5.0882  1442.80   85.119  1426.67  166.415  1448.51   99.058  149.495   8.7658  150.898   5.1692 -1.402893 10.17642 
1 1 1  -10    8   23 o   58.899   10.928  163.762   62.201  360.066  171.732  134.122   66.732   72.916   18.513   44.882   11.618 28.03414 21.85616 
1 1 1  -10    8   24 o  228.173   4.5971  3332.41  115.415  3292.55  229.794  3345.86  133.471  227.026   7.9705  229.321   4.5832 -2.295273 9.194260 
1 1 1  -10    8   25 o  136.257   5.9693  1171.46   76.760  1213.31  189.966  1163.30   83.915  137.338   10.892  135.176   4.8884 2.161530 11.93867 
1 1 1  -10    8   26 o  428.541   8.4631 11765.96  460.577 11765.96  460.577   0.0000   0.0000  428.541   8.4631  ?   ?       ?      ? 
1 1 1  -10    8   27 o   69.204   10.561  355.647   87.538  212.691  151.680  427.042  107.191   57.016   18.401   81.392   10.370 -24.37651 21.12185 
1 1 1  -10    8   28 o  120.995   7.5975  982.724   99.758  879.510  196.735  1018.45  115.741  115.912   13.365  126.078   7.2289 -10.16588 15.19493 
1 1 1  -10    8   29 o  101.830   8.8926  702.077   98.584  639.687  193.833  723.847  114.499   97.743   15.616  105.916   8.5126 -8.172630 17.78528 
1 1 1  -10    8   30 o   74.114   11.960  410.028  100.442  324.757  200.831  438.472  115.991   66.663   21.137   81.565   11.198 -14.90133 23.92049 
1 1 1  -10    8   31 o  ?   ?  -1441.9210  118.421 -1083.4700  183.721 -1696.7020  154.891  ?   ?   ?   ?       ?      ? 
1 1 1  -10    8   32 o   95.181   14.633  642.100  176.866  642.100  176.866   0.0000   0.0000   95.181   14.633  ?   ?       ?      ? 
1 1 1  -10   10    1 o  312.378   3.1498  6195.30  124.929  6038.52  175.143  6357.69  178.251  308.356   4.4726  316.401   4.4363 -8.044708 6.299586 
1 1 1  -10   10    2 o  802.074   7.8414 41163.13  760.268 41792.52  944.436 40004.38  1281.47  810.982   9.1703  793.166   12.722 17.81635 15.68284 
1 1 1  -10   10    3 o  812.305   6.4964 41877.40  669.524 43067.41  972.584 40805.49  923.056  823.252   9.3029  801.357   9.0704 21.89508 12.99287 
1 1 1  -10   10    4 o  507.044   4.3278 16329.43  278.665 16379.57  395.606 16280.05  392.595  507.816   6.1345  506.272   6.1064 1.544342 8.655627 
1 1 1  -10   10    5 o  612.856   7.1770 23859.44  558.571 23859.44  558.571   0.0000   0.0000  612.856   7.1770  ?   ?       ?      ? 
1 1 1  -10   10    6 o  468.324   4.1287 13782.50  243.814 15161.38  372.829 12752.19  322.277  488.568   6.0091  448.080   5.6637 40.48761 8.257474 
1 1 1  -10   10    7 o  508.428   5.4295 16388.93  327.709 16517.23  578.226 16328.22  397.758  509.843   8.9307  507.014   6.1776 2.829224 10.85909 
1 1 1  -10   10    8 o  244.876   3.3658  3795.22  104.185  3310.18  143.163  4341.29  151.904  228.299   4.9380  261.453   4.5751 -33.15430 6.731637 
1 1 1  -10   10    9 o  529.332   4.5583 17756.61  305.868 18465.98  449.078 17142.77  417.746  539.167   6.5587  519.498   6.3321 19.66919 9.116640 
1 1 1  -10   10   10 o  326.686   4.9041  6778.11  203.455  6778.11  203.455   0.0000   0.0000  326.686   4.9041  ?   ?       ?      ? 
1 1 1  -10   10   11 o  913.484   7.2673 53031.23  842.913 53604.26  1205.16 52482.46  1179.37  918.308   10.334  908.659   10.220 9.648926 14.53464 
1 1 1  -10   10   12 o  792.342   6.3781 39844.95  641.091 41033.26  932.945 38781.82  882.442  803.509   9.1430  781.174   8.8953 22.33514 12.75619 
1 1 1  -10   10   13 o  780.998   6.2984 38762.26  624.545 39233.35  894.645 38314.45  872.260  785.619   8.9673  776.376   8.8470 9.243286 12.59689 
1 1 1  -10   10   14 o  159.214   3.4928  1599.49   70.293  1720.26  105.807  1504.08   94.046  164.555   5.0632  153.872   4.8129 10.68243 6.985681 
1 1 1  -10   10   15 o  193.880   3.3219  2405.87   80.890  2254.55  121.564  2526.10  108.361  188.359   5.0821  199.402   4.2792 -11.04379 6.643764 
1 1 1  -10   10   16 o  103.028   5.1099  693.387   64.434  599.135  101.837  756.308   83.207   96.999   8.2672  109.056   6.0081 -12.05628 10.21977 
1 1 1  -10   10   17 o  413.681   3.8821 10881.66  203.792 10889.87  293.953 10874.06  282.782  413.820   5.5936  413.542   5.3846 0.2776184 7.764150 
1 1 1  -10   10   18 o   82.654   6.6037  472.733   62.502  339.241  105.848  544.196   77.445   72.839   11.443   92.469   6.5951 -19.63073 13.20750 
1 1 1  -10   10   19 o  197.175   3.6538  2387.17   87.764  2770.43  151.036  2191.79  107.839  208.676   5.6994  185.674   4.5735 23.00224 7.307532 
1 1 1  -10   10   20 o  178.277   3.8754  2016.31   84.607  2044.47  139.996  2000.11  106.195  179.208   6.1515  177.347   4.7152 1.860657 7.750739 
1 1 1  -10   10   21 o  261.800   3.7168  4380.18  120.604  4272.87  191.571  4450.63  155.226  259.068   5.8229  264.531   4.6207 -5.462982 7.433517 
1 1 1  -10   10   22 o   36.770   10.603   11.143   69.463  101.840  140.706 -18.0835   79.875   46.124   17.477   27.416   12.011 18.70795 21.20629 
1 1 1  -10   10   23 o  326.635   3.9636  6770.84  159.156  6899.54  261.172  6694.81  200.735  328.964   6.2517  324.306   4.8741 4.657715 7.927202 
1 1 1  -10   10   24 o  130.676   6.7931  1034.41   84.447  1191.66  212.095  1004.78   92.058  135.801   12.298  125.551   5.7738 10.25066 13.58629 
1 1 1  -10   10   25 o  106.355   8.0595  733.491   94.233  724.482  187.376  736.541  109.024  105.460   13.991  107.249   8.0048 -1.788300 16.11901 
1 1 1  -10   10   26 o   37.177   11.223  -0.8080   64.003   95.428  182.056 -14.3794   68.367   48.968   19.501   25.386   11.117 23.58222 22.44665 
1 1 1  -10   10   27 o   64.354   11.443  295.209   69.325  226.506  203.039  304.275   73.758   59.946   21.270   68.761   8.4467 -8.814678 22.88561 
1 1 1  -10   10   28 o   46.808   11.847  125.185   70.524  119.770  188.093  126.070   76.074   50.303   19.888   43.314   12.881 6.989304 23.69488 
1 1 1  -10   10   29 o   40.435   11.414   29.956   69.726  179.586  171.219   0.2075   76.343   53.028   19.437   27.841   11.971 25.18767 22.82752 
1 1 1  -10   10   30 f  246.580   14.145  4198.53  442.928  4198.53  442.928   0.0000   0.0000  246.580   14.145  ?   ?       ?      ? 
1 1 1  -10   12    1 o  1138.64   10.991 82209.87  1489.64 83399.63  2618.72 81640.72  1811.23  1144.24   18.022  1133.03   12.588 11.20996 21.98253 
1 1 1  -10   12    2 o  714.988   5.8082 32457.54  527.085 33165.38  760.848 31804.38  730.876  722.473   8.2927  707.503   8.1346 14.97015 11.61644 
1 1 1  -10   12    3 o  282.283   4.5908  5060.66  164.572  5060.66  164.572   0.0000   0.0000  282.283   4.5908  ?   ?       ?      ? 
1 1 1  -10   12    4 o  645.498   5.3173 26461.77  435.763 26049.68  607.755 26897.76  625.136  640.331   7.4739  650.666   7.5655 -10.33551 10.63467 
1 1 1  -10   12    5 o  269.225   3.1776  4606.35  108.550  4511.92  155.727  4695.60  151.390  266.538   4.6007  271.912   4.3842 -5.374268 6.355167 
1 1 1  -10   12    6 o  141.141   3.7283  1274.17   66.357  1143.32   96.103  1393.39   91.735  134.164   5.6406  148.118   4.8770 -13.95401 7.456595 
1 1 1  -10   12    7 o  125.121   3.8837  996.582   61.434  969.165   90.580  1019.94   83.601  123.521   5.7745  126.720   5.1951 -3.198883 7.767459 
1 1 1  -10   12    8 o  450.481   5.7291 12890.94  327.749 12890.94  327.749   0.0000   0.0000  450.481   5.7291  ?   ?       ?      ? 
1 1 1  -10   12    9 o  312.897   3.3521  6217.39  133.149  5985.36  186.887  6456.58  189.749  306.968   4.7941  318.825   4.6865 -11.85721 6.704242 
1 1 1  -10   12   10 o  365.877   3.5625  8502.41  165.487  8238.66  232.263  8774.35  235.847  360.114   5.0788  371.640   4.9972 -11.52634 7.125082 
1 1 1  -10   12   11 o  199.446   4.0347  2451.32   96.190  2313.00  116.180  2752.80  171.516  190.799   4.7949  208.094   6.4903 -17.29544 8.069408 
1 1 1  -10   12   12 o  267.978   3.2446  4564.53  110.381  4442.56  156.399  4685.58  155.808  264.407   4.6578  271.548   4.5182 -7.141785 6.489192 
1 1 1  -10   12   13 o  238.475   3.2376  3620.26   97.741  3533.08  143.037  3696.62  133.870  235.768   4.7774  241.182   4.3708 -5.414627 6.475101 
1 1 1  -10   12   14 o  154.992   4.7595  1494.69   78.421  1591.19  167.239  1467.49   88.788  158.037   8.3330  151.947   4.6013 6.090225 9.518992 
1 1 1  -10   12   15 o   91.256   5.2911  525.727   60.243  554.442   95.568  506.792   77.604   93.284   8.0673   89.228   6.8486 4.055794 10.58225 
1 1 1  -10   12   16 o   41.549   9.5802  104.287   56.568  118.704   93.067   95.840   71.238   43.905   14.429   39.192   12.606 4.713367 19.16045 
1 1 1  -10   12   17 o   71.440   7.5856  360.001   61.074  246.333   99.185  429.419   77.511   60.790   13.224   82.090   7.4353 -21.30019 15.17126 
1 1 1  -10   12   18 o  412.121   3.8769 10803.78  202.723 10900.46  293.472 10715.54  280.365  413.867   5.5838  410.374   5.3798 3.492554 7.753764 
1 1 1  -10   12   19 o  203.186   3.6011  2566.40   90.373  2881.04  149.361  2384.68  113.509  212.746   5.5284  193.626   4.6163 19.11935 7.202287 
1 1 1  -10   12   20 o  112.182   5.7869  853.322   74.203  684.170  130.970  933.288   90.050  103.321   9.9817  121.042   5.8583 -17.72078 11.57382 
1 1 1  -10   12   21 o   45.909   10.901  120.802   69.092  155.654  131.059  107.389   81.308   50.421   17.134   41.398   13.481 9.023232 21.80141 
1 1 1  -10   12   22 o  217.276   5.2927  3007.39  146.038   0.0000   0.0000  3007.39  146.038  ?   ?   217.276   5.2927      ?      ? 
1 1 1  -10   12   23 o  199.005   4.4874  2557.79  107.492  2432.01  181.631  2625.60  133.353  195.019   7.3339  202.991   5.1731 -7.972092 8.974796 
1 1 1  -10   12   24 o  128.006   6.0303  1064.59   85.642  1024.60  167.034  1078.86   99.751  126.014   10.438  129.997   6.0423 -3.983246 12.06054 
1 1 1  -10   12   25 o   97.096   9.1035  655.249   65.398  585.019  196.267  664.021   69.362   92.193   17.402  101.998   5.3549 -9.804916 18.20695 
1 1 1  -10   12   26 o   45.470   11.878   88.038   60.194  183.788  192.153   77.619   63.384   55.540   20.551   35.400   11.916 20.14041 23.75580 
1 1 1  -10   12   27 o  135.459   6.2522  1225.72   75.149  1144.09  194.291  1240.09   81.492  131.608   11.625  139.311   4.6063 -7.702316 12.50432 
1 1 1  -10   14    1 o  243.188   3.1192  3752.24   96.266  3919.56  139.122  3598.54  133.342  248.382   4.4106  237.993   4.4119 10.38855 6.238446 
1 1 1  -10   14    2 o  526.926   5.5462 17648.00  348.832 17704.45  608.221 17620.32  425.827  527.387   9.0814  526.464   6.3692 0.9235840 11.09231 
1 1 1  -10   14    3 o  433.442   3.9371 11939.79  216.690 12000.82  308.983 11880.73  303.971  434.530   5.5993  432.355   5.5362 2.174896 7.874166 
1 1 1  -10   14    4 o   70.758   6.5415  318.753   58.756  306.155   82.472  331.737   83.730   69.336   9.3663   72.180   9.1345 -2.843765 13.08304 
1 1 1  -10   14    5 o  679.813   5.5817 29409.32  481.849 29546.13  685.442 29275.66  677.503  681.371   7.9215  678.256   7.8657 3.115112 11.16337 
1 1 1  -10   14    6 f  343.796   3.4561  7505.00  150.785  7691.62  218.299  7334.73  208.521  347.876   4.9414  339.716   4.8334 8.159515 6.912261 
1 1 1  -10   14    7 f  346.423   3.4743  7614.20  152.642  7888.26  222.922  7372.27  209.444  352.276   4.9830  340.570   4.8427 11.70624 6.948511 
1 1 1  -10   14    8 o  417.078   3.8555 11060.60  204.170 11056.24  291.553 11064.80  286.007  416.992   5.5057  417.164   5.3987 -0.1724854 7.710967 
1 1 1  -10   14    9 o  112.411   4.5119  804.404   64.299  795.555   93.423  812.367   88.631  111.817   6.5792  113.006   6.1760 -1.189339 9.023738 
1 1 1  -10   14   10 o  375.724   3.6433  8966.80  173.681  9179.35  252.057  8774.65  239.657  379.952   5.2239  371.496   5.0799 8.456055 7.286606 
1 1 1  -10   14   11 o   88.883   5.5095  495.773   60.656  671.555   91.724  359.162   80.861  102.703   7.0327   75.062   8.4828 27.64056 11.01891 
1 1 1  -10   14   12 o  242.923   3.2360  3756.73   99.581  3442.30  140.493  4074.17  141.168  232.682   4.7546  253.163   4.3909 -20.48106 6.471987 
1 1 1  -10   14   13 o   54.291   7.9949  211.374   55.780   78.682   83.655  317.594   74.847   38.016   13.635   70.567   8.3520 -32.55137 15.98983 
1 1 1  -10   14   14 o  268.509   3.2942  4584.34  112.122  4590.99  163.651  4578.45  153.925  268.680   4.7963  268.337   4.5170 0.3429871 6.588455 
1 1 1  -10   14   15 o  138.945   3.9698  1210.96   69.447  1367.14  107.128  1097.75   91.206  146.552   5.7562  131.338   5.4684 15.21390 7.939563 
1 1 1  -10   14   16 o  323.957   3.4749  6672.96  142.670  6743.16  208.981  6611.69  195.249  325.533   5.0552  322.382   4.7691 3.151398 6.949768 
1 1 1  -10   14   17 o   58.333   11.068  223.881   81.519  209.944  102.472  247.904  134.537   55.914   14.357   60.753   16.849 -4.839348 22.13638 
1 1 1  -10   14   18 o   97.990   5.8264  602.456   69.710  655.535  117.935  573.951   86.424  101.162   9.1801   94.819   7.1773 6.342751 11.65283 
1 1 1  -10   14   19 o   34.833   10.070   29.917   70.904   8.3415  106.468   47.113   95.049   33.927   14.346   35.740   14.135 -1.812679 20.13975 
1 1 1  -10   14   21 o  261.392   3.6498  4365.60  119.072  4292.33  185.635  4416.81  155.206  259.432   5.6346  263.352   4.6408 -3.920013 7.299688 
1 1 1  -10   14   22 o  116.461   5.6766  823.561   78.262  998.988  144.165  750.263   93.188  124.615   9.1099  108.308   6.7752 16.30712 11.35314 
1 1 1  -10   14   23 o  131.536   6.1332  1106.51  102.450   0.0000   0.0000  1106.51  102.450  ?   ?   131.536   6.1332      ?      ? 
1 1 1  -10   14   24 o  113.701   6.1851  774.914   79.102  970.849  160.214  711.757   90.962  122.107   10.332  105.295   6.8026 16.81225 12.37030 
1 1 1  -10   14   25 o   51.648   13.947  164.533  108.632 -111.1448  330.931  197.826  115.005   50.074   22.961   53.223   15.840 -3.148468 27.89456 
1 1 1  -10   16    1 o  276.034   3.2173  4822.46  112.394  5094.46  167.520  4599.79  151.571  283.073   4.6600  268.995   4.4370 14.07809 6.434539 
1 1 1  -10   16    2 o  187.438   3.3606  2233.60   79.715  2235.97  117.785  2231.60  108.282  187.520   4.9461  187.357   4.5510 0.1626129 6.721296 
1 1 1  -10   16    3 o  104.772   4.7742  695.144   62.993  726.942   96.352  671.407   83.250  106.838   7.1016  102.705   6.3828 4.132492 9.548466 
1 1 1  -10   16    4 o  534.854   4.5923 18209.50  311.909 17971.93  439.218 18451.19  443.018  531.332   6.5093  538.376   6.4797 -7.044128 9.184694 
1 1 1  -10   16    5 o  275.880   3.2550  4832.02  113.822  4947.55  166.984  4731.76  155.559  278.947   4.7138  272.813   4.4901 6.133575 6.510064 
1 1 1  -10   16    6 o  131.489   4.1644  1085.52   68.977  1217.75  106.102  988.724   90.777  138.324   6.0402  124.654   5.7345 13.66996 8.328725 
1 1 1  -10   16    7 o  121.346   5.2925  963.960   78.189  1043.33   99.982  838.995  125.454  128.025   6.1497  114.668   8.6152 13.35722 10.58492 
1 1 1  -10   16    8 o  229.355   3.3290  3348.65   96.816  3273.82  139.893  3417.44  134.125  226.882   4.8553  231.828   4.5558 -4.945709 6.658050 
1 1 1  -10   16    9 o  157.253   3.8874  1576.78   77.008  1547.65  115.937  1599.77  103.017  155.928   5.8549  158.578   5.1155 -2.650375 7.774832 
1 1 1  -10   16   10 o  236.652   5.0114  3562.92  150.608  3562.92  150.608   0.0000   0.0000  236.652   5.0114  ?   ?       ?      ? 
1 1 1  -10   16   11 o  261.611   3.3972  4358.38  112.598  4284.88  164.218  4423.59  154.685  259.509   4.9830  263.714   4.6189 -4.204590 6.794452 
1 1 1  -10   16   12 o  412.153   3.9110 10814.67  204.659 10853.44  292.686 10777.58  286.284  412.865   5.5823  411.441   5.4791 1.424530 7.821981 
1 1 1  -10   16   13 o  178.177   3.6569  2021.22   82.448  2019.01  121.821  2023.09  111.997  178.068   5.3871  178.287   4.9466 -0.2189789 7.313712 
1 1 1  -10   16   14 o  260.213   3.4183  4310.69  112.593  4300.44  165.921  4319.44  153.290  259.900   5.0271  260.526   4.6332 -0.6253052 6.836561 
1 1 1  -10   16   15 o  357.562   3.7280  8119.49  169.029  7602.54  232.141  8702.84  246.600  345.480   5.2912  369.645   5.2533 -24.16425 7.456092 
1 1 1  -10   16   17 o  294.069   3.7535  5528.86  139.670  5241.19  202.885  5788.02  192.566  286.719   5.5721  301.419   5.0307 -14.69940 7.507075 
1 1 1  -10   16   18 o  135.163   4.9505  1183.83   83.335  1075.44  127.603  1264.44  110.044  129.590   7.7538  140.737   6.1572 -11.14679 9.901091 
1 1 1  -10   16   19 f  227.329   3.7046  3272.18  106.061  3473.51  162.592  3123.05  139.930  233.323   5.4874  221.335   4.9784 11.98866 7.409127 
1 1 1  -10   16   20 o  236.152   3.7313  3574.52  111.309  3385.93  163.375  3737.91  152.062  230.239   5.5876  242.065   4.9466 -11.82588 7.462644 
1 1 1  -10   16   21 o  180.845   4.2462  2071.09   93.960  2177.96  157.029  2011.49  117.270  184.255   6.7109  177.435   5.2044 6.819504 8.492496 
1 1 1  -10   16   22 o  106.685   9.6697  741.961  131.007   0.0000   0.0000  741.961  131.007  ?   ?   106.685   9.6697      ?      ? 
1 1 1  -10   16   23 o  123.587   10.998  1012.01  172.609  1012.01  172.609   0.0000   0.0000  123.587   10.998  ?   ?       ?      ? 
1 1 1  -10   18    1 o  143.290   4.3926  1313.06   78.833  1279.57  121.156  1337.66  103.816  141.654   6.7350  144.926   5.6408 -3.271667 8.785178 
1 1 1  -10   18    2 o  190.678   3.6824  2311.80   88.787  2343.77  132.210  2285.53  119.829  191.857   5.4264  189.500   4.9794 2.357086 7.364762 
1 1 1  -10   18    3 o  432.792   4.0571 11933.23  222.935 11783.92  317.204 12078.97  313.387  430.099   5.8075  435.484   5.6667 -5.384888 8.114136 
1 1 1  -10   18    4 o  285.963   3.4651  5199.45  125.588  5283.40  184.088  5126.36  171.768  288.102   5.0316  283.824   4.7656 4.278076 6.930182 
1 1 1  -10   18    5 o  182.492   3.6634  2120.23   84.512  2121.39  125.677  2119.27  114.183  182.515   5.4223  182.470   4.9276 0.4440308E-01 7.326804 
1 1 1  -10   18    6 o  112.533   5.1267  805.505   72.762  832.829  110.300  784.454   96.817  114.186   7.6065  110.880   6.8757 3.305763 10.25350 
1 1 1  -10   18    7 o  253.548   3.4310  4084.88  110.268  4206.56  161.821  3979.41  150.661  257.053   4.9572  250.044   4.7447 7.009399 6.861913 
1 1 1  -10   18    8 o  178.045   3.9698  2020.69   89.686  1995.41  129.003  2044.34  124.771  176.952   5.7407  179.137   5.4847 -2.184372 7.939637 
1 1 1  -10   18    9 o  272.252   4.9595  4719.60  171.468   0.0000   0.0000  4719.60  171.468  ?   ?   272.252   4.9595      ?      ? 
1 1 1  -10   18   10 o  215.173   5.1579  2824.20  134.199  2551.97  163.084  3395.15  236.180  199.992   6.4213  230.354   8.0737 -30.36215 10.31585 
1 1 1  -10   18   11 o  406.525   5.9515 10540.54  307.252 10540.54  307.252   0.0000   0.0000  406.525   5.9515  ?   ?       ?      ? 
1 1 1  -10   18   12 o  297.826   3.7999  5642.82  143.245  5781.22  212.427  5527.40  193.986  301.130   5.5549  294.522   5.1865 6.608032 7.599802 
1 1 1  -10   18   13 o  108.452   6.1176  768.515   82.487  667.473  124.824  846.846  109.903  101.870   9.6488  115.034   7.5233 -13.16326 12.23513 
1 1 1  -10   18   14 o  171.048   4.2998  1881.70   92.513  1749.58  137.714  1990.36  124.891  165.459   6.5541  176.636   5.5677 -11.17677 8.599701 
1 1 1  -10   18   15 o  220.055   3.7887  3093.70  105.478  3039.61  155.319  3140.01  143.696  218.218   5.6048  221.893   5.0994 -3.675110 7.577452 
1 1 1  -10   18   16 o  150.824   4.5379  1455.48   86.114  1458.01  131.007  1453.56  114.269  150.859   6.8383  150.788   5.9674 0.7070923E-01 9.075882 
1 1 1  -10   18   17 o  226.224   3.7581  3289.56  106.912  3110.77  160.281  3432.87  143.500  220.540   5.7229  231.907   4.8726 -11.36661 7.516233 
1 1 1  -10   18   18 o  246.214   4.3047  3887.07  125.218  3886.12  222.249  3887.51  151.564  245.752   7.1214  246.675   4.8383 -0.9224243 8.609488 
1 1 1  -10   18   19 o   98.459   9.5294  671.241  112.948  527.228  164.465  799.797  155.387   86.834   15.482  110.084   11.115 -23.24954 19.05887 
1 1 1  -10   18   20 o  119.705   6.8932  824.342   96.985  645.396  113.783  1299.77  185.463   99.261   9.0265  140.150   10.420 -40.88934 13.78639 
1 1 1  -10   20    1 f   63.080   10.560  268.496   82.936  294.658  124.642  247.709  111.102   65.788   15.221   60.373   14.642 5.415108 21.12028 
1 1 1  -10   20    2 o  138.143   5.0527  1218.58   87.280  1232.17  136.168  1209.10  113.711  138.710   7.7302  137.576   6.5085 1.133972 10.10533 
1 1 1  -10   20    3 o  254.110   3.7577  4128.37  120.714  3979.12  177.482  4256.84  164.667  249.768   5.5955  258.452   5.0171 -8.683670 7.515362 
1 1 1  -10   20    4 o  206.077   4.0046  2712.41  104.457  2668.45  153.401  2750.41  142.633  204.475   5.9076  207.678   5.4082 -3.202744 8.009261 
1 1 1  -10   20    5 o  142.224   4.9020  1292.76   88.424  1311.87  128.735  1275.69  121.664  143.197   7.0792  141.252   6.7825 1.944611 9.803985 
1 1 1  -10   20    6 o  130.572   5.6643  1094.85   93.566  1075.61  137.781  1111.33  127.464  129.444   8.3817  131.699   7.6213 -2.255844 11.32856 
1 1 1  -10   20    7 o   60.649   10.634  250.408   81.627  280.889  118.325  222.731  112.752   64.153   14.822   57.144   15.252 7.008984 21.26792 
1 1 1  -10   20    8 o   55.655   11.175  205.764   82.267  251.076  126.772  172.801  108.125   60.463   16.188   50.847   15.411 9.616539 22.35052 
1 1 1  -10   20    9 o  184.906   4.3215  2181.92  101.360  2271.78  147.715  2101.96  139.340  188.484   6.1712  181.327   6.0511 7.157074 8.642902 
1 1 1  -10   20   10 o  122.331   5.6280  957.969   87.240  1037.32  128.367  889.864  118.924  127.018   7.9581  117.644   7.9602 9.374115 11.25593 
1 1 1  -10   20   11 o  126.410   5.4586  1007.60   86.723  1182.54  134.814  884.112  113.270  135.561   7.8311  117.258   7.6066 18.30286 10.91726 
1 1 1  -10   20   12 o   43.614   10.362   66.070   78.121  239.413  124.424 -46.7272  100.369   58.590   16.186   28.638   12.941 29.95159 20.72323 
1 1 1  -10   20   13 o   85.974   8.4089  479.980   90.666  386.708  120.874  599.963  137.094   76.417   12.456   95.532   11.300 -19.11477 16.81788 
1 1 1  -10   20   14 o   45.478   11.005  133.998   77.823   95.260  117.176  164.572  104.098   42.014   15.942   48.941   15.175 -6.926018 22.00961 
1 1 1  -10   20   15 o   31.878   10.068 -155.3726   97.727 -398.1461  140.385   72.892  136.126   22.248   11.180   41.508   16.747 -19.25976 20.13567 
1 1 1  -10   20   16 o   75.228   11.218  366.039  117.423   94.227  151.474  775.351  185.879   44.136   17.715  106.319   13.767 -62.18243 22.43580 
1 1 1  -10   20   17 o   25.783   12.947 -665.5901  116.422 -775.9178  149.000 -492.6542  186.546  ?   ?    25.783   12.947      ?      ? 
1 1 1  -10   20   18 o   64.081   17.346  315.835  144.613  315.835  144.613   0.0000   0.0000   64.081   17.346  ?   ?       ?      ? 
1 1 1  -10   22    1 o   80.446   9.0443  424.246   88.530  565.432  138.041  325.601  115.385   92.357   11.770   68.535   13.736 23.82180 18.08852 
1 1 1  -10   22    2 o  176.556   4.3762  1946.17   96.167  2293.67  156.039  1733.35  122.115  188.786   6.5085  164.326   5.8517 24.46092 8.752367 
1 1 1  -10   22    3 f   93.139   7.8046  593.869   88.446  466.872  135.812  687.395  116.549   83.554   12.799  102.724   8.9343 -19.16988 15.60924 
1 1 1  -10   22    4 o  194.179   4.3319  2399.57  106.071  2628.71  162.118  2228.06  140.260  202.127   6.3158  186.232   5.9306 15.89503 8.663831 
1 1 1  -10   22    5 o   77.732   9.2517  397.507   87.793  522.479  138.553  313.668  113.483   88.407   12.341   67.057   13.787 21.34931 18.50342 
1 1 1  -10   22    6 o  108.960   6.8567  802.950   90.511  688.265  145.433  875.455  115.635  101.792   11.250  116.127   7.8411 -14.33458 13.71335 
1 1 1  -10   22    7 o   72.709   11.290  378.017   97.958  384.916  164.702  374.241  121.854   72.167   18.025   73.251   13.600 -1.084419 22.57993 
1 1 1  -10   22    8 o  154.196   6.2107  1527.99  120.450  1819.34  185.703  1316.40  158.255  166.647   8.7749  141.745   8.7917 24.90187 12.42150 
1 1 1  -10   22    9 o  314.998   6.2046  6406.60  248.199   0.0000   0.0000  6406.60  248.199  ?   ?   314.998   6.2046      ?      ? 
1 1 1  -10   22   10 o  ?   ?  -873.4572  111.389 -819.6443  171.114 -913.0293  146.736  ?   ?   ?   ?       ?      ? 
1 1 1  -10   22   11 o  154.502   6.8351  1569.10  133.213  1833.99  200.915  1361.31  177.952  166.096   9.5252  142.908   9.8054 23.18755 13.67029 
1 1 1  -10   22   12 o  245.992   5.2828  3970.16  164.767  3801.88  236.043  4130.09  230.102  240.639   7.7241  251.344   7.2090 -10.70534 10.56555 
1 1 1  -10   22   13 o   92.743   10.292  626.336  116.675  601.883  177.103  645.087  155.087   89.469   16.183   96.017   12.719 -6.548691 20.58316 
1 1 1  -10   22   14 o  104.199   9.2353  760.286  120.562  949.192  181.310  610.556  161.419  116.284   12.278   92.113   13.799 24.17155 18.47064 
1 1 1  -10   24    1 o   48.023   12.245  175.366   94.505  156.572  157.664  185.905  118.065   46.960   18.315   49.086   16.258 -2.126060 24.49018 
1 1 1  -10   24    2 o   93.324   8.4279  599.900   97.100  665.617  159.749  561.396  122.281   96.401   13.049   90.246   10.670 6.154892 16.85585 
1 1 1  -10   24    3 o   60.008   12.077  267.453   98.538  426.546  159.073  168.395  125.521   72.863   17.426   47.152   16.724 25.71123 24.15315 
1 1 1  -10   24    4 o  112.646   7.3654  879.846  101.995  843.276  163.504  903.143  130.499  109.516   11.756  115.775   8.8760 -6.258308 14.73075 
1 1 1  -10   24    5 o   78.017   10.443  456.164   98.326  467.052  158.971  449.418  125.134   76.642   16.797   79.391   12.411 -2.749573 20.88505 
1 1 1  -10   24    6 o  118.349   14.796  1050.28  222.368  1050.28  222.368   0.0000   0.0000  118.349   14.796  ?   ?       ?      ? 
1 1 1   -9    1    1 o  309.076   2.9468  6014.12  115.098  5546.09  153.768  6610.47  173.571  295.520   4.0973  322.632   4.2363 -27.11200 5.893623 
1 1 1   -9    1    3 o  1154.68   9.0405 84770.26  1325.42 83872.59  1853.89 85708.84  1895.67  1148.43   12.712  1160.92   12.858 -12.48315 18.08098 
1 1 1   -9    1    4 o  518.885   4.3594 17085.33  287.054 16677.04  396.975 17532.78  415.574  512.396   6.1007  525.373   6.2288 -12.97760 8.718722 
1 1 1   -9    1    5 o  253.041   2.8044  4043.78   89.858  3756.90  121.671  4388.00  133.276  243.223   3.9392  262.858   3.9926 -19.63539 5.608710 
1 1 1   -9    1    6 o  565.734   4.7141 20322.93  338.560 20705.30  486.619 19964.19  471.340  570.887   6.7121  560.581   6.6209 10.30591 9.428120 
1 1 1   -9    1    7 o  229.026   2.9375  3306.20   85.108  3029.25  114.531  3647.72  127.183  218.397   4.1295  239.656   4.1789 -21.25920 5.875047 
1 1 1   -9    1    8 o  324.887   3.3319  6702.59  137.445  6882.77  195.879  6527.85  192.906  329.188   4.6856  320.587   4.7383 8.600922 6.663830 
1 1 1   -9    1    9 o  353.802   3.5317  7949.68  158.641  7902.75  221.563  7999.05  227.249  352.732   4.9462  354.873   5.0426 -2.140350 7.063466 
1 1 1   -9    1   10 o  416.867   4.5954 11023.03  229.816 10988.57  281.816 11091.46  397.067  415.931   5.3354  417.803   7.4837 -1.872253 9.190856 
1 1 1   -9    1   11 o  291.350   3.6556  5218.52  117.230  5054.39  134.431  5739.58  239.529  282.114   3.7523  300.585   6.2750 -18.47055 7.311299 
1 1 1   -9    1   12 f   52.740   8.4054  194.154   45.952  204.846   51.136  149.294  104.745   56.783   7.0914   48.698   15.242 8.085144 16.81080 
1 1 1   -9    1   13 o  226.133   3.7089  3207.29   93.008  3165.58  107.514  3331.32  185.404  223.264   3.7920  229.001   6.3753 -5.737183 7.417838 
1 1 1   -9    1   15 o  363.090   3.6308  8378.60  167.304  8105.65  238.117  8644.72  235.117  357.243   5.2487  368.936   5.0183 -11.69226 7.261672 
1 1 1   -9    1   16 o  271.061   4.6788  4607.71  147.992  4519.50  176.421  4817.18  271.869  266.759   5.2078  275.363   7.7746 -8.604279 9.357621 
1 1 1   -9    1   17 o  651.497   6.6673 26994.41  525.846 27044.86  652.035 26900.57  889.337  652.448   7.8695  650.546   10.765 1.902405 13.33464 
1 1 1   -9    1   18 o  354.393   3.9271  7987.73  176.499  7690.08  253.101  8269.48  246.253  347.955   5.7279  360.832   5.3740 -12.87692 7.854214 
1 1 1   -9    1   19 o  487.909   4.5156 15126.71  279.678 14947.00  399.831 15298.89  391.355  485.066   6.4908  490.750   6.2796 -5.684082 9.031265 
1 1 1   -9    1   20 o  447.125   5.9365 12701.69  337.083   0.0000   0.0000 12701.69  337.083  ?   ?   447.125   5.9365      ?      ? 
1 1 1   -9    1   21 o  277.137   3.8475  4870.20  135.192  5068.85  198.144  4697.19  184.920  282.409   5.5249  271.866   5.3561 10.54291 7.695003 
1 1 1   -9    1   22 o  274.327   3.8271  4785.25  133.212  4771.33  192.225  4798.11  184.777  273.935   5.5257  274.718   5.2964 -0.7828674 7.654103 
1 1 1   -9    1   23 o  273.849   3.8951  4772.69  135.309  4687.38  194.968  4851.96  187.936  271.474   5.6553  276.223   5.3576 -4.748413 7.790181 
1 1 1   -9    1   24 o  105.094   6.9698  701.452   92.635  748.229  138.872  663.951  124.341  108.217   10.105  101.971   9.6020 6.245941 13.93961 
1 1 1   -9    1   25 o  182.818   4.5858  2129.52  105.737  2120.01  158.922  2137.07  141.637  182.419   6.8602  183.217   6.0874 -0.7975464 9.171618 
1 1 1   -9    1   26 o  254.780   4.2689  4114.46  137.631  4363.38  205.385  3911.59  185.422  261.722   6.1795  247.838   5.8914 13.88347 8.537809 
1 1 1   -9    1   27 o   62.564   11.605  261.267  101.313  404.897  142.171  113.070  144.413   77.745   14.943   47.383   17.760 30.36225 23.20994 
1 1 1   -9    1   28 o   34.284   11.266 -160.1713  119.712 -70.7679  173.496 -241.4175  165.392   38.289   17.182   30.278   14.575 8.010128 22.53122 
1 1 1   -9    1   29 o   39.022   12.277 -53.5746  122.473 -60.8269  175.934 -46.7558  170.594   38.988   17.413   39.055   17.312 -0.6693268E-01 24.55463 
1 1 1   -9    1   30 o  102.505   10.006  696.793  128.481  618.133  190.495  762.435  174.020   96.816   15.494  108.194   12.665 -11.37724 20.01173 
1 1 1   -9    1   31 f   67.222   13.343  298.668  125.351  475.772  188.636  158.623  167.744   82.228   18.511   52.216   19.223 30.01184 26.68691 
1 1 1   -9    1   32 o   92.083   10.792  600.992  117.944  802.511  165.547  393.262  168.079  110.219   11.827   73.948   18.055 36.27100 21.58409 
1 1 1   -9    1   33 o   25.221   8.8253 -311.4760  105.077 -267.6479  142.649 -363.4675  155.367   25.582   12.579   24.860   12.381 0.7225780 17.65051 
1 1 1   -9    1   34 o   50.937   12.963  180.095  109.525  117.587  153.038  245.726  156.814   45.216   17.919   56.659   18.735 -11.44259 25.92505 
1 1 1   -9    1   35 o   78.477   11.337  459.308  110.984  335.994  147.120  622.157  169.068   64.671   17.492   92.283   14.427 -27.61189 22.67344 
1 1 1   -9    3    1 o  848.251   6.7455 45731.43  726.629 45813.39  1029.08 45649.93  1026.14  849.009   9.5447  847.494   9.5344 1.515198 13.49092 
1 1 1   -9    3    2 o  1319.02   14.611 110880.20  2445.75 113578.10  3540.57 108417.90  3382.46  1334.28   20.895  1303.75   20.430 30.52661 29.22297 
1 1 1   -9    3    3 o  598.408   4.9409 22745.27  375.403 22515.40  524.922 22985.91  537.086  595.317   6.9434  601.500   7.0312 -6.183899 9.881704 
1 1 1   -9    3    4 o  264.951   2.9644  4456.82   99.598  4431.33  137.016  4485.37  145.029  264.150   4.0845  265.753   4.2974 -1.602844 5.928808 
1 1 1   -9    3    5 o  205.270   3.1738  2674.13   80.840  2666.72  103.745  2685.58  128.983  204.914   3.9867  205.626   4.9394 -0.7121887 6.347605 
1 1 1   -9    3    6 o  1032.42   9.4673 66648.61  1049.27 65638.59  1193.77 70079.44  2200.16  1016.16   9.2508  1048.68   16.521 -32.52002 18.93457 
1 1 1   -9    3    7 o  326.042   3.6188  6710.07  132.443  6662.71  154.342  6842.36  257.940  323.900   3.7523  328.184   6.1890 -4.284454 7.237664 
1 1 1   -9    3    8 o  366.585   3.9010  8601.48  161.899  8681.63  190.398  8392.22  307.638  369.726   4.0551  363.444   6.6654 6.281616 7.801997 
1 1 1   -9    3    9 o  575.999   5.4592 21617.41  360.769 22386.21  430.940 19816.27  659.605  593.648   5.7162  558.349   9.3025 35.29901 10.91843 
1 1 1   -9    3   10 o  839.523   7.7577 44486.87  711.137 44175.95  816.926 45459.53  1444.92  833.811   7.7150  845.236   13.461 -11.42474 15.51547 
1 1 1   -9    3   11 o  404.191   4.2470 10088.00  188.361  9816.25  215.882 10954.63  385.523  393.146   4.3240  415.236   7.3110 -22.09009 8.493997 
1 1 1   -9    3   12 o  687.296   6.4866 29709.99  487.488 29414.11  559.973 30636.07  990.692  680.462   6.4802  694.130   11.239 -13.66852 12.97317 
1 1 1   -9    3   13 o  258.444   4.1510  4222.50  135.889  4645.39  199.754  3858.21  185.400  270.432   5.8165  246.455   5.9237 23.97752 8.301910 
1 1 1   -9    3   14 o  625.354   6.0111 24754.98  417.774 24655.49  484.561 25043.14  824.633  623.022   6.1245  627.687   10.345 -4.665222 12.02217 
1 1 1   -9    3   15 o  371.689   4.6047  8847.77  213.450  9194.63  279.935  8366.01  329.912  380.478   5.7936  362.901   7.1587 17.57709 9.209380 
1 1 1   -9    3   16 o  538.955   5.8371 18615.50  388.506 19181.63  498.867 17742.96  619.330  549.500   7.1489  528.410   9.2294 21.09045 11.67428 
1 1 1   -9    3   17 o  556.507   6.7488 19673.34  476.956   0.0000   0.0000 19673.34  476.956  ?   ?   556.507   6.7488      ?      ? 
1 1 1   -9    3   18 o  308.835   4.7748  6093.91  183.834  6252.25  239.939  5868.85  286.060  313.735   6.0223  303.935   7.4114 9.800873 9.549675 
1 1 1   -9    3   19 o  597.001   7.1222 22645.20  539.966   0.0000   0.0000 22645.20  539.966  ?   ?   597.001   7.1222      ?      ? 
1 1 1   -9    3   20 o  388.481   4.0816  9579.13  199.038  9658.42  306.175  9521.10  261.938  389.851   6.1843  387.111   5.3283 2.739777 8.163119 
1 1 1   -9    3   21 o  113.156   5.7163  818.021   78.258  804.939  132.069  825.101   97.151  112.413   9.2514  113.898   6.7167 -1.484634 11.43251 
1 1 1   -9    3   22 o  108.712   7.2667  752.302  100.320   0.0000   0.0000  752.302  100.320  ?   ?   108.712   7.2667      ?      ? 
1 1 1   -9    3   23 f  300.993   3.9258  5741.68  146.617  5858.10  234.829  5667.30  187.697  303.432   6.0942  298.553   4.9506 4.878906 7.851569 
1 1 1   -9    3   24 o  142.035   5.2094  1262.01   90.325  1369.04  152.824  1204.54  111.977  146.519   8.2133  137.551   6.4104 8.968155 10.41884 
1 1 1   -9    3   25 o  230.457   4.3150  3412.92  122.863  3240.74  195.362  3525.59  158.027  225.524   6.8213  235.390   5.2865 -9.866226 8.630026 
1 1 1   -9    3   26 o  118.749   6.7148  910.337   98.317  868.928  157.337  936.864  125.931  116.392   10.645  121.105   8.1882 -4.713112 13.42960 
1 1 1   -9    3   27 o  136.850   6.3562  1216.31  107.572  1117.79  168.814  1283.66  139.581  131.969   10.073  141.731   7.7551 -9.761658 12.71244 
1 1 1   -9    3   28 o  553.034   5.3035 12661.43  285.588 33205.74  783.205  9510.91  306.705  719.959   8.5662  386.108   6.2551 333.8515 10.60691 
1 1 1   -9    3   29 o   67.424   12.555  305.324  107.682  356.815  169.187  270.262  139.610   71.935   18.436   62.913   17.049 9.021248 25.11072 
1 1 1   -9    3   30 o   62.823   13.336  242.765  118.121  405.801  188.382  137.134  151.633   76.085   19.429   49.561   18.272 26.52479 26.67104 
1 1 1   -9    3   31 o   41.582   12.211   16.717  114.331 -125.8015  175.323  122.166  150.808   35.395   16.402   47.769   18.095 -12.37420 24.42259 
1 1 1   -9    3   32 o  113.036   7.9121  851.347  112.357  745.396  163.363  946.457  154.779  105.915   12.146  120.157   10.143 -14.24261 15.82418 
1 1 1   -9    3   33 o  164.940   6.0388  1844.50  121.273  1316.19  176.987  2312.10  166.506  141.020   9.8828  188.859   6.9425 -47.83939 12.07760 
1 1 1   -9    3   34 o   30.239   10.021 -183.5015  105.267   11.504  146.061 -394.2596  151.846   37.059   16.238   23.419   11.749 13.64025 20.04273 
1 1 1   -9    3   35 o  114.121   8.1061  910.756  117.466  894.575  165.549  927.164  166.702  113.037   11.533  115.205   11.394 -2.168404 16.21216 
1 1 1   -9    5    1 o  523.295   5.1033 17082.91  288.412 16806.24  328.895 18003.81  600.042  514.384   5.0349  532.205   8.8782 -17.82098 10.20650 
1 1 1   -9    5    2 o  439.085   4.4154 12204.12  214.192 12159.12  247.680 12337.63  426.566  437.542   4.4575  440.629   7.6232 -3.087341 8.830756 
1 1 1   -9    5    3 o  547.477   5.2797 18938.06  317.490 18832.03  365.884 19261.22  638.771  544.494   5.2914  550.459   9.1378 -5.965271 10.55930 
1 1 1   -9    5    4 o  351.249   3.9481  7962.13  168.607  8300.55  212.500  7386.99  277.023  361.508   4.6287  340.990   6.3973 20.51785 7.896245 
1 1 1   -9    5    5 o  688.135   7.8614 30091.88  686.995 30091.88  686.995   0.0000   0.0000  688.135   7.8614  ?   ?       ?      ? 
1 1 1   -9    5    6 o  273.134   2.7938  4713.65   96.644  4400.94  130.982  5087.30  143.181  263.243   3.9181  283.026   3.9836 -19.78302 5.587591 
1 1 1   -9    5    7 o  212.860   2.5613  2864.94   69.065  2614.58   94.434  3152.86  101.270  202.904   3.6649  222.815   3.5790 -19.91061 5.122539 
1 1 1   -9    5    8 o  479.437   4.0812 14596.95  248.445 14387.86  347.526 14815.53  355.313  475.927   5.7500  482.947   5.7934 -7.020081 8.162497 
1 1 1   -9    5    9 o  251.652   2.7630  4017.24   88.242  3824.55  122.645  4224.03  127.057  245.402   3.9355  257.901   3.8794 -12.49855 5.526094 
1 1 1   -9    5   10 o  495.113   4.2058 15557.92  264.273 15930.76  382.140 15216.14  365.868  500.792   6.0088  489.435   5.8864 11.35712 8.411638 
1 1 1   -9    5   11 o  464.707   4.0239 13714.85  237.451 13508.91  333.469 13926.67  338.193  461.168   5.6940  468.245   5.6874 -7.076630 8.047874 
1 1 1   -9    5   12 o  816.601   6.5346 42334.15  677.144 41276.52  935.813 43496.48  981.038  805.914   9.1437  827.287   9.3380 -21.37292 13.06924 
1 1 1   -9    5   13 o  409.207   5.1974 10635.21  270.088   0.0000   0.0000 10635.21  270.088  ?   ?   409.207   5.1974      ?      ? 
1 1 1   -9    5   14 o  512.422   4.4340 16621.58  287.637 17364.07  427.293 16006.33  388.964  522.847   6.4354  501.998   6.1014 20.84833 8.867983 
1 1 1   -9    5   15 o  305.087   3.6056  5947.15  138.484  5599.65  206.376  6231.79  186.780  296.926   5.4731  313.249   4.6953 -16.32309 7.211157 
1 1 1   -9    5   16 o  383.459   3.9615  9353.35  191.723  9208.44  286.330  9471.13  258.133  380.756   5.9216  386.162   5.2638 -5.406219 7.922943 
1 1 1   -9    5   17 o  158.850   4.5831  1543.51   86.669  1771.86  156.467  1442.44  104.098  167.001   7.3778  150.699   5.4394 16.30290 9.166178 
1 1 1   -9    5   18 o  509.367   4.5796 16486.25  295.487 16435.82  433.236 16530.11  404.053  508.629   6.7073  510.105   6.2374 -1.476105 9.159267 
1 1 1   -9    5   19 o  354.451   4.1904  8010.70  159.038  7931.38  329.905  8034.72  181.523  353.237   7.3544  355.665   4.0189 -2.428284 8.380844 
1 1 1   -9    5   20 o  221.571   4.0338  3060.07   90.924  3222.80  205.492  3020.46  101.389  225.090   7.1889  218.053   3.6614 7.036758 8.067605 
1 1 1   -9    5   21 o   87.905   7.2989  513.179   68.468  455.747  138.528  531.744   78.761   84.395   12.925   91.415   6.7845 -7.019592 14.59775 
1 1 1   -9    5   22 f  346.704   3.9341  7637.94  169.267  7678.28  270.031  7611.83  217.248  347.397   6.1208  346.010   4.9441 1.387085 7.868202 
1 1 1   -9    5   23 o  184.434   4.9228  2163.12  115.299   0.0000   0.0000  2163.12  115.299  ?   ?   184.434   4.9228      ?      ? 
1 1 1   -9    5   24 o   85.019   8.0668  425.286   80.995  569.468  152.028  368.142   95.709   94.161   12.714   75.877   9.9326 18.28408 16.13369 
1 1 1   -9    5   25 o  133.553   6.1688  1207.13   93.835  979.471  167.253  1311.71  113.357  123.611   10.655  143.496   6.2206 -19.88475 12.33760 
1 1 1   -9    5   26 o   62.239   11.309  279.151   88.619  180.687  158.759  323.717  106.807   54.634   18.849   69.845   12.501 -15.21168 22.61786 
1 1 1   -9    5   27 f   27.484   9.3444 -204.1957   91.032 -112.7886  146.145 -262.1433  116.362   32.563   15.049   22.404   11.081 10.15889 18.68888 
1 1 1   -9    5   28 o   45.727   12.613   91.264  105.261   62.341  165.405  110.950  136.459   45.182   18.377   46.271   17.279 -1.088367 25.22507 
1 1 1   -9    5   29 o  233.390   5.0180  3579.52  141.724  3149.09  231.236  3838.49  179.361  221.540   8.2191  245.240   5.7592 -23.69943 10.03602 
1 1 1   -9    5   30 o  181.741   5.8814  2105.04  128.732  2192.30  222.200  2060.96  157.939  184.173   9.5004  179.308   6.9360 4.864792 11.76288 
1 1 1   -9    5   31 o  119.786   7.8712  928.278  115.079  989.946  193.717  894.646  143.058  122.323   12.470  117.250   9.6078 5.073723 15.74234 
1 1 1   -9    5   32 o   90.279   10.026  592.167  105.499  418.956  160.548  723.800  139.958   75.947   17.063  104.610   10.535 -28.66283 20.05297 
1 1 1   -9    5   33 o   52.418   12.676  188.421  108.642   81.013  154.336  293.921  152.959   42.852   17.627   61.983   18.222 -19.13113 25.35265 
1 1 1   -9    5   34 o   61.042   18.371  300.847  154.059  300.847  154.059   0.0000   0.0000   61.042   18.371  ?   ?       ?      ? 
1 1 1   -9    7    1 o  463.073   3.9720 13592.13  233.248 14143.08  341.185 13108.70  319.596  471.862   5.6937  454.284   5.5398 17.57813 7.944077 
1 1 1   -9    7    2 o  255.588   2.7340  4147.22   88.716  4204.48  127.302  4093.16  123.701  257.302   3.8960  253.874   3.8369 3.428360 5.468098 
1 1 1   -9    7    3 o  959.736   7.5781 58493.00  922.761 57003.03  1272.35 60146.24  1340.26  946.875   10.581  972.597   10.851 -25.72284 15.15623 
1 1 1   -9    7    4 o  145.158   2.5029  1339.16   46.046  1235.04   64.810  1445.30   65.432  139.455   3.6596  150.861   3.4154 -11.40587 5.005714 
1 1 1   -9    7    5 o  380.172   3.4346  9113.59  165.073  9870.50  248.269  8513.82  221.001  394.217   4.9592  366.128   4.7532 28.08899 6.869215 
1 1 1   -9    7    6 o  205.422   2.5935  2673.67   67.548  2784.60   99.002  2577.05   92.394  209.399   3.7230  201.445   3.6117 7.954010 5.187014 
1 1 1   -9    7    7 o  618.860   5.0665 24330.05  398.159 24148.77  559.426 24516.15  566.809  616.525   7.1452  621.195   7.1851 -4.670044 10.13307 
1 1 1   -9    7    8 o  378.014   3.4397  9045.56  164.766  9521.43  242.991  8640.55  224.173  387.185   4.9419  368.844   4.7859 18.34183 6.879460 
1 1 1   -9    7    9 o  493.825   4.2132 15489.57  264.215 15361.39  372.268 15619.68  375.061  491.767   5.9610  495.884   5.9559 -4.117371 8.426488 
1 1 1   -9    7   10 o  615.038   6.2061 24044.09  457.045 24056.93  559.913 24018.45  791.204  615.365   7.1649  614.712   10.135 0.6530762 12.41215 
1 1 1   -9    7   11 o  1399.14   10.917 124553.30  1939.53 123268.30  2716.49 125889.50  2770.11  1391.79   15.369  1406.48   15.509 -14.69177 21.83453 
1 1 1   -9    7   12 o  669.906   5.4790 28507.67  466.092 28239.15  655.325 28782.56  663.050  666.714   7.7400  673.098   7.7569 -6.383423 10.95798 
1 1 1   -9    7   13 o  363.263   3.5771  8356.71  164.534  8681.78  243.933  8085.38  222.865  369.724   5.1954  356.803   4.9185 12.92065 7.154282 
1 1 1   -9    7   14 o  477.623   5.9425 14489.83  360.437   0.0000   0.0000 14489.83  360.437  ?   ?   477.623   5.9425      ?      ? 
1 1 1   -9    7   15 o  252.067   3.4245  4036.93  108.395  4024.54  166.043  4046.13  143.092  251.725   5.1942  252.408   4.4641 -0.6827240 6.848907 
1 1 1   -9    7   16 o  318.440   3.5040  6399.60  140.210  6712.99  216.620  6173.64  183.937  325.101   5.2469  311.778   4.6456 13.32315 7.008001 
1 1 1   -9    7   17 o  361.023   3.6858  8279.27  168.199  8279.21  250.232  8279.32  227.175  361.015   5.4581  361.031   4.9549 -0.1641846E-01 7.371699 
1 1 1   -9    7   18 o  131.296   4.7890  1119.08   73.874  1033.34  129.836  1160.13   89.833  127.468   8.0208  135.124   5.2351 -7.655502 9.578084 
1 1 1   -9    7   19 o   58.117   10.020  232.832   69.950  173.780  132.778  255.517   82.297   52.926   17.227   63.307   10.237 -10.38047 20.03909 
1 1 1   -9    7   20 o  110.375   5.9753  795.997   73.929  733.603  140.480  819.895   86.942  107.215   10.318  113.535   6.0301 -6.319626 11.95059 
1 1 1   -9    7   21 o  118.730   5.5960  883.003   63.273  921.222  155.287  875.395   69.286  120.112   10.180  117.347   4.6494 2.765160 11.19191 
1 1 1   -9    7   22 o  409.907   4.5012 10658.02  198.605 10767.89  410.798 10624.51  226.882  411.006   7.8705  408.809   4.3702 2.197083 9.002421 
1 1 1   -9    7   23 o  136.918   5.4975  1177.89   71.999  1222.56  175.460  1168.85   78.953  138.262   9.9930  135.574   4.5858 2.687805 10.99501 
1 1 1   -9    7   24 o  102.539   7.4417  665.043   76.868  688.513  174.937  659.428   85.571  103.358   13.328  101.720   6.6244 1.638184 14.88334 
1 1 1   -9    7   25 o  185.290   5.0218  2258.70   99.795  2063.86  202.032  2321.58  114.775  179.581   8.8589  190.998   4.7320 -11.41730 10.04351 
1 1 1   -9    7   26 f   89.002   7.4159  423.569   69.710  677.170  162.027  365.965   77.222  102.365   12.464   75.639   8.0393 26.72571 14.83183 
1 1 1   -9    7   27 o   25.205   8.7210 -225.0106   89.149 -307.2579  152.603 -182.3994  109.841   26.505   13.029   23.905   11.597 2.599777 17.44207 
1 1 1   -9    7   28 f   46.356   11.895   52.990   90.012  253.033  169.388 -25.7272  106.256   61.469   19.404   31.243   13.765 30.22634 23.79074 
1 1 1   -9    7   29 o  149.023   6.4125  1381.19  109.916  1554.42  210.066  1315.88  128.982  154.777   10.687  143.269   7.0893 11.50777 12.82491 
1 1 1   -9    7   30 o  194.710   5.4256  2461.48  120.857  2400.61  225.210  2486.10  143.227  192.368   9.2189  197.052   5.7236 -4.683395 10.85111 
1 1 1   -9    7   31 o  ?   ?  -727.3241  110.559 -862.8052  197.354 -665.3605  133.468  ?   ?   ?   ?       ?      ? 
1 1 1   -9    7   32 f   35.306   11.501 -287.6103  129.176  104.403  199.986 -568.2574  169.211   47.961   19.927   22.651   11.487 25.30976 23.00103 
1 1 1   -9    7   33 o   75.404   17.029  437.875  159.215  437.875  159.215   0.0000   0.0000   75.404   17.029  ?   ?       ?      ? 
1 1 1   -9    7   34 o   35.099   16.764 -146.8799  209.560 -146.8799  209.560   0.0000   0.0000   35.099   16.764  ?   ?       ?      ? 
1 1 1   -9    9    1 o  906.375   7.1838 52153.45  826.056 53662.86  1200.94 50798.02  1138.04  918.793   10.293  893.957   10.024 24.83575 14.36761 
1 1 1   -9    9    2 o  375.764   4.1929  9023.48  189.635  8796.44  322.837  9143.09  234.321  372.110   6.8318  379.418   4.8631 -7.307739 8.385893 
1 1 1   -9    9    3 o   66.066   5.4466  259.112   43.253  334.625   77.852  225.397   52.020   72.567   8.4479   59.565   6.8770 13.00233 10.89314 
1 1 1   -9    9    4 o  354.964   3.3163  7997.18  149.427  8170.00  215.250  7836.42  207.601  358.663   4.7258  351.266   4.6539 7.397308 6.632667 
1 1 1   -9    9    5 o  357.992   3.3445  8138.99  152.041  8090.61  213.908  8188.40  216.146  356.917   4.7193  359.067   4.7402 -2.150085 6.688904 
1 1 1   -9    9    6 o  622.319   5.1088 24556.64  403.201 23748.81  553.047 25473.18  589.083  611.419   7.1227  633.219   7.3256 -21.79913 10.21752 
1 1 1   -9    9    7 o  1114.03   12.367 78915.26  1749.60 78915.26  1749.60   0.0000   0.0000  1114.03   12.367  ?   ?       ?      ? 
1 1 1   -9    9    8 o  192.624   3.0285  2357.74   73.999  2222.39  104.434  2494.22  104.869  187.068   4.3961  198.180   4.1669 -11.11229 6.057076 
1 1 1   -9    9    9 f  396.326   3.6919  9958.06  185.643  9519.00  256.159 10443.76  269.422  387.141   5.2103  405.510   5.2318 -18.36899 7.383713 
1 1 1   -9    9   10 f  372.912   3.5975  8824.14  170.226  9016.03  246.785  8649.98  235.112  376.774   5.1577  369.049   5.0166 7.725342 7.195070 
1 1 1   -9    9   11 o  764.930   6.1852 37031.07  599.049 39033.01  889.635 35370.34  810.281  783.757   8.9383  746.103   8.5518 37.65417 12.37038 
1 1 1   -9    9   12 o  172.443   3.6251  1880.47   78.699  1948.60  120.360  1829.59  104.016  175.157   5.4110  169.729   4.8258 5.428009 7.250290 
1 1 1   -9    9   13 o  193.808   3.4151  2369.39   83.605  2536.83  126.351  2238.99  111.506  199.856   4.9783  187.760   4.6765 12.09583 6.830290 
1 1 1   -9    9   14 o  403.313   3.7895 10331.04  194.041 10012.41  273.021 10656.27  275.831  397.028   5.4150  409.598   5.3028 -12.56967 7.579048 
1 1 1   -9    9   15 o  198.221   3.3712  2518.72   83.706  2337.61  126.682  2659.07  111.518  191.831   5.2002  204.611   4.2918 -12.77924 6.742500 
1 1 1   -9    9   16 o  260.431   3.3080  4323.66  108.856  4139.76  160.183  4481.47  148.384  255.259   4.9415  265.602   4.3993 -10.34291 6.616011 
1 1 1   -9    9   17 o  449.613   4.0558 12818.52  230.977 13293.08  341.401 12417.94  313.660  457.253   5.8794  441.973   5.5884 15.28000 8.111517 
1 1 1   -9    9   18 o   64.825   8.8702  346.172   64.510  120.885  117.149  444.215   77.282   46.110   16.176   83.539   7.2848 -37.42811 17.74046 
1 1 1   -9    9   19 o  337.656   3.5917  7241.53  153.125  7318.47  229.762  7180.06  205.385  339.245   5.3332  336.068   4.8124 3.176788 7.183475 
1 1 1   -9    9   20 o  389.886   3.9198  9653.44  192.339  9790.05  293.191  9550.24  254.839  392.258   5.8858  387.514   5.1785 4.743927 7.839555 
1 1 1   -9    9   21 o  151.650   4.4988  1362.52   78.685  1710.15  153.069  1237.66   91.733  163.813   7.3580  139.487   5.1787 24.32629 8.997699 
1 1 1   -9    9   22 o  154.302   4.5388  1525.29   81.376  1494.99  148.185  1538.37   97.371  153.098   7.6218  155.506   4.9307 -2.408691 9.077666 
1 1 1   -9    9   23 o  334.572   4.4814  7183.14  174.379  7009.42  316.638  7258.77  208.915  331.398   7.5238  337.745   4.8708 -6.346649 8.962796 
1 1 1   -9    9   24 o  165.516   4.9036  1743.06   75.742  1756.26  188.915  1740.54   82.678  165.604   8.9829  165.429   3.9355 0.1749573 9.807196 
1 1 1   -9    9   25 o   51.686   9.9758  210.148   78.692 -151.7078  191.529  283.637   86.313   36.944   17.128   66.427   10.232 -29.48248 19.95156 
1 1 1   -9    9   26 o  179.300   5.1589  1968.51   90.126  2195.09  218.129  1921.87   98.968  184.860   9.2916  173.740   4.4856 11.11984 10.31770 
1 1 1   -9    9   27 o  153.074   5.9780  1513.60   81.652  1491.82  213.479  1517.33   88.372  151.812   11.073  154.336   4.5089 -2.524017 11.95597 
1 1 1   -9    9   28 o   67.419   11.749  234.100   75.339  462.908  205.919  198.739   80.951   80.686   20.155   54.153   12.079 26.53293 23.49753 
1 1 1   -9    9   29 o   43.721   11.544  104.364   70.565   84.941  176.785  108.045   76.962   46.767   19.008   40.675   13.105 6.092346 23.08765 
1 1 1   -9    9   30 o   29.968   10.173 -123.8291   86.130 -132.3611  190.592 -121.6395   96.552   36.219   16.891   23.716   11.342 12.50325 20.34549 
1 1 1   -9    9   31 o   83.121   20.594  543.914  216.264  543.914  216.264   0.0000   0.0000   83.121   20.594  ?   ?       ?      ? 
1 1 1   -9   11    1 o  1442.70   11.253 132465.20  2061.58 132829.80  2924.06 132104.91  2907.05  1444.67   15.938  1440.73   15.889 3.936890 22.50514 
1 1 1   -9   11    2 o  966.658   7.6554 59387.56  939.651 59927.05  1341.24 58867.54  1316.82  970.964   10.877  962.352   10.775 8.611938 15.31076 
1 1 1   -9   11    3 o  886.623   7.0571 49952.03  794.500 50404.87  1134.03 49515.48  1113.44  890.566   10.027  882.681   9.9331 7.884460 14.11423 
1 1 1   -9   11    4 o  478.286   4.1965 14527.02  254.842 14663.09  364.597 14397.04  356.347  480.474   5.9754  476.097   5.8939 4.376770 8.393016 
1 1 1   -9   11    5 o  508.245   4.4130 16327.70  283.936 15443.92  383.440 17400.64  422.487  493.095   6.1234  523.394   6.3563 -30.29895 8.826010 
1 1 1   -9   11    6 o  540.726   9.2157 18580.21  632.826   0.0000   0.0000 18580.21  632.826  ?   ?   540.726   9.2157      ?      ? 
1 1 1   -9   11    7 o  648.188   5.3503 26692.25  440.402 26712.68  624.208 26672.01  621.446  648.434   7.5803  647.942   7.5525 0.4924927 10.70050 
1 1 1   -9   11    8 o  717.727   7.2180 32151.67  604.976 34237.50  1114.54 31280.42  720.328  733.798   11.960  701.657   8.0840 32.14056 14.43609 
1 1 1   -9   11    9 o  461.045   4.1057 13482.13  240.112 13891.89  349.753 13116.85  330.228  467.659   5.8892  454.431   5.7223 13.22830 8.211372 
1 1 1   -9   11   10 o  453.944   4.0482 13085.60  233.284 13212.54  335.108 12966.23  324.954  456.078   5.7859  451.811   5.6635 4.267609 8.096399 
1 1 1   -9   11   11 o  243.686   3.2383  3764.63   99.999  3873.16  147.095  3671.37  136.356  246.943   4.6905  240.428   4.4659 6.515793 6.476547 
1 1 1   -9   11   12 o  138.731   3.8089  1225.52   66.947  1154.90   96.008  1292.36   93.401  134.829   5.6072  142.633   5.1565 -7.804092 7.617762 
1 1 1   -9   11   13 o  395.279   3.6926  9928.16  185.347  9785.59  262.076 10070.83  262.164  392.438   5.2587  398.120   5.1854 -5.682190 7.385278 
1 1 1   -9   11   14 o  226.213   3.1935  3263.72   91.212  3123.15  134.755  3382.59  123.913  221.691   4.7865  230.736   4.2289 -9.044479 6.387017 
1 1 1   -9   11   15 o   83.664   5.6734  430.926   59.219  532.823   95.099  366.390   75.683   91.469   8.1870   75.859   7.8563 15.61031 11.34676 
1 1 1   -9   11   16 o  213.666   3.2870  2884.73   88.327  3020.94  135.944  2785.22  116.195  217.992   4.9107  209.340   4.3708 8.651825 6.574084 
1 1 1   -9   11   17 o  322.660   3.4577  6592.94  140.943  6865.72  212.084  6377.18  188.621  328.597   5.0824  316.723   4.6896 11.87357 6.915380 
1 1 1   -9   11   18 o  254.507   3.2843  4093.74  105.168  4292.93  161.600  3947.39  138.515  259.826   4.8976  249.187   4.3772 10.63922 6.568555 
1 1 1   -9   11   19 o  413.118   3.9221 10867.92  205.410 10705.50  298.130 11014.70  283.416  410.149   5.7238  416.087   5.3637 -5.937714 7.844184 
1 1 1   -9   11   20 o  113.485   5.8823  819.959   84.773   0.0000   0.0000  819.959   84.773  ?   ?   113.485   5.8823      ?      ? 
1 1 1   -9   11   21 o  262.794   3.5821  4358.94  115.695  4537.45  190.915  4255.33  145.445  266.940   5.6318  258.649   4.4280 8.291290 7.164127 
1 1 1   -9   11   22 o   98.318   6.5069  584.077   72.554  698.211  143.832  545.123   84.028  104.226   10.867   92.410   7.1602 11.81516 13.01374 
1 1 1   -9   11   23 o  265.864   4.9419  4500.79  166.853   0.0000   0.0000  4500.79  166.853  ?   ?   265.864   4.9419      ?      ? 
1 1 1   -9   11   24 o  220.288   4.6194  3189.91   99.754  2954.60  228.831  3245.12  110.839  214.727   8.3917  225.849   3.8645 -11.12186 9.238816 
1 1 1   -9   11   25 o  155.288   5.5572  1553.07   75.043  1533.97  202.560  1556.10   80.792  154.219   10.343  156.357   4.0689 -2.137817 11.11440 
1 1 1   -9   11   26 o   61.931   11.033  196.469   61.071  371.986  183.802  174.687   64.750   72.782   19.495   51.080   10.337 21.70215 22.06563 
1 1 1   -9   11   27 o   69.669   10.564  218.523   64.929  544.378  195.535  178.140   68.835   87.986   18.104   51.353   10.893 36.63340 21.12813 
1 1 1   -9   11   28 o  122.096   7.7075  785.645   76.677  1269.40  247.904  734.469   80.631  137.216   14.227  106.977   5.9352 30.23925 15.41501 
1 1 1   -9   13    1 o  570.405   4.7990 20670.72  347.621 20692.48  493.361 20649.27  489.878  570.703   6.8073  570.108   6.7663 0.5942993 9.598070 
1 1 1   -9   13    2 o  352.399   4.2537  7929.21  179.636  7765.95  308.917  8012.62  220.807  349.618   6.9578  355.181   4.8954 -5.562469 8.507358 
1 1 1   -9   13    3 o   52.364   8.5563  182.474   56.205  142.392   79.892  221.752   79.087   46.646   13.001   58.082   11.127 -11.43630 17.11253 
1 1 1   -9   13    4 o  820.968   6.5842 42845.31  686.445 42924.49  973.103 42766.88  968.473  821.721   9.3252  820.214   9.2979 1.507263 13.16848 
1 1 1   -9   13    5 o  506.247   6.2111 16282.48  399.307 16282.48  399.307   0.0000   0.0000  506.247   6.2111  ?   ?       ?      ? 
1 1 1   -9   13    6 o  232.664   3.1646  3439.66   93.450  3394.14  133.888  3482.91  130.494  231.161   4.5609  234.167   4.3882 -3.006317 6.329137 
1 1 1   -9   13    7 o  687.321   5.6199 30027.47  490.433 30387.11  702.005 29684.59  685.445  691.334   7.9960  683.307   7.8991 8.027466 11.23978 
1 1 1   -9   13    8 o  254.116   3.2062  4104.15  103.406  4040.03  148.070  4165.20  144.472  252.175   4.6237  256.057   4.4429 -3.882141 6.412327 
1 1 1   -9   13    9 o  418.241   3.8399 11116.31  203.917 11172.66  291.304 11062.17  285.547  419.277   5.4710  417.205   5.3895 2.072510 7.679770 
1 1 1   -9   13   10 o  214.104   3.1972  2912.89   86.781  2914.19  126.484  2911.73  119.285  214.144   4.6511  214.063   4.3880 0.8091736E-01 6.394312 
1 1 1   -9   13   11 o  370.438   3.5921  8722.82  168.957  8744.08  241.270  8702.37  236.678  370.877   5.1227  369.999   5.0371 0.8784790 7.184283 
1 1 1   -9   13   12 o  271.116   4.0646  4773.92  132.469  5006.48  165.124  4353.97  221.890  280.653   4.6330  261.580   6.6797 19.07254 8.129134 
1 1 1   -9   13   13 o  420.924   3.8520 11267.84  205.900 11186.42  291.728 11348.66  290.646  419.405   5.4773  422.443   5.4177 -3.037567 7.704082 
1 1 1   -9   13   14 o  133.500   5.2706  1024.42   76.997  1360.33  164.818  930.644   87.083  146.044   8.8867  120.955   5.6693 25.08900 10.54112 
1 1 1   -9   13   15 o  199.742   3.3198  2534.04   83.493  2557.52  126.886  2516.10  110.879  200.540   4.9824  198.944   4.3888 1.596359 6.639678 
1 1 1   -9   13   16 f  150.133   3.7958  1443.46   71.296  1375.20  109.288  1494.03   94.070  146.995   5.8545  153.271   4.8330 -6.276077 7.591656 
1 1 1   -9   13   17 o  222.771   3.3164  3152.65   93.557  3204.04  138.074  3109.03  127.211  224.435   4.8444  221.107   4.5305 3.328156 6.632783 
1 1 1   -9   13   18 o  144.715   4.0561  1320.26   72.764  1393.10  117.713  1275.20   92.568  147.874   6.2684  141.555   5.1494 6.318863 8.112263 
1 1 1   -9   13   19 o  235.669   3.4734  3517.65  102.346  3630.80  160.535  3440.16  132.843  238.801   5.2936  232.536   4.4985 6.265991 6.946900 
1 1 1   -9   13   20 f   26.941   8.6938 -56.9019   65.307 -98.8883  106.501 -31.6000   82.675   27.029   12.612   26.853   11.969 0.1759510 17.38763 
1 1 1   -9   13   21 o   94.761   12.102  580.065  145.632  580.065  145.632   0.0000   0.0000   94.761   12.102  ?   ?       ?      ? 
1 1 1   -9   13   22 o  171.787   4.6230  1863.36   95.222  1948.20  166.130  1821.85  116.205  174.514   7.4962  169.060   5.4126 5.454300 9.246053 
1 1 1   -9   13   23 o   84.224   7.9547  416.183   77.335  565.662  151.919  363.900   89.848   93.242   12.830   75.206   9.4075 18.03542 15.90940 
1 1 1   -9   13   24 o   62.772   10.857  264.426   74.190  256.153  165.948  266.493   82.940   61.362   19.182   64.183   10.176 -2.820885 21.71356 
1 1 1   -9   13   25 o  131.014   5.9500  964.549   66.465  1314.23  197.626  919.954   70.576  141.950   10.963  120.077   4.6283 21.87354 11.89993 
1 1 1   -9   13   26 f  137.378   4.4609  1205.35   77.825   0.0000   0.0000  1205.35   77.825  ?   ?   137.378   4.4609      ?      ? 
1 1 1   -9   15    1 f  182.384   3.4255  2118.76   78.842  2073.81  117.621  2155.44  106.243  180.612   5.1282  184.156   4.5429 -3.544617 6.850999 
1 1 1   -9   15    2 o  275.611   3.2691  4830.77  114.321  4598.72  161.653  5062.94  161.695  268.979   4.7325  282.242   4.5112 -13.26334 6.538160 
1 1 1   -9   15    3 o  424.737   3.9014 11463.80  210.292 11661.52  304.030 11282.43  291.181  428.237   5.5906  421.236   5.4433 7.001801 7.802785 
1 1 1   -9   15    4 o  193.665   3.3400  2379.79   81.960  2444.51  120.661  2324.34  111.678  196.100   4.8452  191.230   4.5987 4.870361 6.680092 
1 1 1   -9   15    5 o  106.510   4.6364  724.052   62.109  705.129   93.938  738.749   82.785  105.253   7.0279  107.767   6.0491 -2.513771 9.272736 
1 1 1   -9   15    6 o  282.124   3.2369  5054.86  115.862  5156.76  168.138  4962.72  159.881  284.824   4.6485  279.424   4.5056 5.400757 6.473726 
1 1 1   -9   15    7 o  294.326   3.3098  5500.64  123.536  5617.83  180.335  5397.02  169.574  297.269   4.7770  291.383   4.5827 5.886597 6.619669 
1 1 1   -9   15    8 o  367.759   3.5808  8599.86  167.232  8547.30  236.630  8652.31  236.373  366.634   5.0823  368.884   5.0458 -2.249176 7.161678 
1 1 1   -9   15    9 o  453.846   4.0781 13100.65  235.012 12868.05  329.419 13341.73  335.376  449.745   5.7677  457.948   5.7668 -8.202850 8.156184 
1 1 1   -9   15   10 o  459.261   4.1216 13410.94  240.257 13709.02  346.678 13135.47  333.268  464.159   5.8814  454.363   5.7758 9.796234 8.243255 
1 1 1   -9   15   11 o   44.536   9.4836  129.185   60.003   81.219   90.629  166.618   80.062   39.069   14.168   50.004   12.610 -10.93485 18.96721 
1 1 1   -9   15   12 o  341.045   3.5055  7386.19  151.504  7572.45  222.709  7225.74  206.704  345.026   5.0829  337.064   4.8290 7.961517 7.011049 
1 1 1   -9   15   13 o  248.837   3.3174  3931.47  104.565  4029.06  154.217  3848.42  142.260  251.678   4.8251  245.995   4.5539 5.682922 6.634720 
1 1 1   -9   15   14 o   95.680   5.2548  583.348   63.116  587.930   97.048  579.989   83.088   95.974   7.9626   95.387   6.8592 0.5860443 10.50960 
1 1 1   -9   15   15 o  449.900   4.0855 12891.25  233.347 12907.78  334.285 12875.54  325.882  450.165   5.8475  449.636   5.7072 0.5291748 8.170967 
1 1 1   -9   15   16 o  102.535   5.2676  667.630   68.396  736.544  100.946  609.144   92.995  107.404   7.4010   97.667   7.4978 9.736580 10.53527 
1 1 1   -9   15   17 o  306.402   4.4461  5864.28  161.071  5661.41  193.456  6322.68  290.804  298.168   5.1091  314.635   7.2781 -16.46628 8.892293 
1 1 1   -9   15   19 o   27.172   8.8766 -98.2096   75.403 -225.9204  123.450 -22.2112   95.231   24.606   12.016   29.738   13.069 -5.132713 17.75324 
1 1 1   -9   15   20 o   33.277   9.8215   5.5486   68.419   57.817  110.508 -26.9409   87.126   38.610   15.250   27.944   12.380 10.66642 19.64291 
1 1 1   -9   15   21 o  222.264   3.8368  3191.09  105.819  2953.68  164.914  3357.26  137.967  215.019   6.0395  229.509   4.7337 -14.49011 7.673538 
1 1 1   -9   15   22 o   36.552   10.508   45.836   72.642 -12.2063  139.778   67.313   85.025   36.756   16.000   36.347   13.627 0.4085808 21.01667 
1 1 1   -9   15   23 o  104.527   9.3102  696.076   85.864  764.304  231.584  685.203   92.454  105.819   17.233  103.235   7.0521 2.583710 18.62041 
1 1 1   -9   15   24 o   36.440   17.628 -332.4015  249.336 -332.4015  249.336   0.0000   0.0000   36.440   17.628  ?   ?       ?      ? 
1 1 1   -9   17    1 o  411.818   3.8662 10790.33  202.125 10837.21  289.898 10745.98  281.962  412.678   5.5317  410.958   5.4028 1.720032 7.732357 
1 1 1   -9   17    2 o  203.962   3.4978  2647.34   90.349  2629.10  132.557  2663.16  123.471  203.292   5.1346  204.632   4.7513 -1.340302 6.995638 
1 1 1   -9   17    3 o  431.168   3.9920 11808.86  218.195 12196.43  320.055 11472.31  298.247  437.745   5.7574  424.591   5.5313 13.15463 7.983925 
1 1 1   -9   17    4 o   83.754   6.1000  445.237   64.654  479.232   96.491  417.538   87.097   86.630   8.7708   80.877   8.4801 5.753342 12.19998 
1 1 1   -9   17    5 o  264.877   3.3999  4466.66  114.169  4387.22  165.538  4538.73  157.668  262.613   4.9637  267.140   4.6476 -4.526733 6.799851 
1 1 1   -9   17    6 o  231.217   3.4076  3401.63   99.880  3385.82  145.478  3415.72  137.373  230.696   4.9657  231.738   4.6679 -1.042328 6.815253 
1 1 1   -9   17    7 o  177.426   3.7399  2000.67   83.880  2031.44  125.175  1975.60  113.004  178.645   5.5176  176.208   5.0500 2.437241 7.479718 
1 1 1   -9   17    8 o  115.814   4.9040  857.330   71.914  818.914  104.273  892.176   99.312  113.311   7.2464  118.316   6.6097 -5.004364 9.808062 
1 1 1   -9   17    9 o  271.818   3.4094  4704.69  117.524  4630.69  170.009  4772.42  162.644  269.753   4.9628  273.884   4.6762 -4.131165 6.818831 
1 1 1   -9   17   10 o  103.943   5.4341  687.855   71.378  710.168  107.064  670.004   95.765  105.432   7.9964  102.455   7.3603 2.976791 10.86818 
1 1 1   -9   17   11 o  221.580   3.4848  3139.06   97.345  2997.30  144.803  3255.95  131.492  216.958   5.2556  226.203   4.5774 -9.244507 6.969541 
1 1 1   -9   17   12 o  221.078   3.5383  3107.25   98.549  3148.08  149.514  3075.89  131.045  222.324   5.2956  219.832   4.6941 2.492386 7.076603 
1 1 1   -9   17   13 o   22.561   7.7940 -196.9084   74.096 -250.0739  111.465 -154.8138   99.183   21.966   10.861   23.157   11.182 -1.191008 15.58805 
1 1 1   -9   17   14 o  377.436   5.6895  9081.65  272.706  9081.65  272.706   0.0000   0.0000  377.436   5.6895  ?   ?       ?      ? 
1 1 1   -9   17   15 o  257.247   3.6298  4229.12  118.156  3850.17  168.075  4599.38  166.138  245.775   5.3850  268.719   4.8685 -22.94406 7.259534 
1 1 1   -9   17   16 o  134.490   4.8668  1153.11   83.000  1214.69  121.440  1099.14  113.701  137.843   6.9375  131.136   6.8276 6.706619 9.733647 
1 1 1   -9   17   17 o  115.600   5.5332  868.116   79.483  794.612  122.850  921.036  104.239  111.205   8.6991  119.995   6.8405 -8.790848 11.06650 
1 1 1   -9   17   18 o   67.060   8.7945  285.579   72.007  364.514  117.820  238.517   90.975   74.718   12.417   59.403   12.458 15.31475 17.58899 
1 1 1   -9   17   19 o  223.692   3.6787  3204.29  103.792  3116.39  154.907  3275.90  139.819  220.819   5.5240  226.566   4.8595 -5.747116 7.357314 
1 1 1   -9   17   20 o  105.630   7.5681  748.357   95.393  669.807  160.589  791.187  118.582  100.657   12.563  110.603   8.4426 -9.946037 15.13625 
1 1 1   -9   17   21 o  109.994   9.1250  788.829  127.461   0.0000   0.0000  788.829  127.461  ?   ?   109.994   9.1250      ?      ? 
1 1 1   -9   19    1 o  303.486   3.6520  5837.25  140.285  6212.87  209.025  5529.39  189.234  312.307   5.2703  294.665   5.0570 17.64178 7.304096 
1 1 1   -9   19    2 o  294.957   3.6661  5537.57  137.034  5596.00  200.882  5486.71  187.409  296.384   5.3371  293.530   5.0276 2.854645 7.332247 
1 1 1   -9   19    3 o  109.311   6.1870  771.367   85.188  698.938  124.639  834.863  116.701  104.384   9.4024  114.239   8.0442 -9.854523 12.37397 
1 1 1   -9   19    4 o  165.911   4.5773  1756.53   96.434  1734.50  136.579  1778.43  136.178  164.868   6.5234  166.955   6.4229 -2.087250 9.154655 
1 1 1   -9   19    5 o  139.969   6.9438  1383.35  100.670  492.559  138.961  2367.21  146.040   87.263   12.540  192.675   5.9685 -105.4123 13.88766 
1 1 1   -9   19    6 o  450.262   6.1093 12932.23  349.331   0.0000   0.0000 12932.23  349.331  ?   ?   450.262   6.1093      ?      ? 
1 1 1   -9   19    7 f   97.327   9.0467  675.915   94.561  1074.15  134.711  289.081  132.769  129.509   8.1908   65.145   16.133 64.36339 18.09331 
1 1 1   -9   19    8 o   83.324   8.3410  450.510   87.792  501.640  123.919  398.986  124.395   88.178   11.066   78.471   12.483 9.707016 16.68194 
1 1 1   -9   19    9 o  135.527   4.9925  1182.04   85.257  1093.15  125.621  1257.94  116.087  130.704   7.5682  140.350   6.5131 -9.646332 9.984958 
1 1 1   -9   19   10 o   76.137   8.2979  384.638   77.302  341.000  114.073  421.692  105.118   71.379   13.066   80.895   10.232 -9.516541 16.59589 
1 1 1   -9   19   11 o  200.157   4.0661  2557.51  103.215  2537.21  149.585  2575.96  142.601  199.371   5.9081  200.943   5.5882 -1.572372 8.132273 
1 1 1   -9   19   12 o   62.699   10.106  277.407   80.610  180.920  125.632  344.930  105.097   52.462   16.727   72.936   11.347 -20.47382 20.21248 
1 1 1   -9   19   13 o  143.527   4.8299  1320.80   87.074  1308.15  132.972  1330.29  115.211  142.833   7.3309  144.222   6.2905 -1.389114 9.659803 
1 1 1   -9   19   14 o  303.431   3.6738  5873.43  141.152  5939.88  208.222  5816.93  192.002  304.959   5.3766  301.904   5.0079 3.055725 7.347593 
1 1 1   -9   19   15 o  135.194   4.8824  1178.29   83.446  1105.43  121.390  1243.57  114.898  131.130   7.2896  139.258   6.4970 -8.128632 9.764740 
1 1 1   -9   19   16 o   58.077   9.9751  231.943   72.290  252.778  110.634  216.419   95.497   60.227   14.614   55.927   13.581 4.300652 19.95027 
1 1 1   -9   19   17 o  102.447   7.6477  689.479   99.315  748.215  144.801  637.304  136.475  106.595   10.697   98.299   10.933 8.295403 15.29531 
1 1 1   -9   19   18 o   93.715   9.0423  591.168  106.023  582.795  138.343  603.085  165.043   93.380   11.666   94.050   13.819 -0.6694260 18.08452 
1 1 1   -9   19   19 o  232.474   6.6588  3500.27  196.585  3500.27  196.585   0.0000   0.0000  232.474   6.6588  ?   ?       ?      ? 
1 1 1   -9   21    1 o   31.762   10.059 -55.1175   82.198   0.1425  130.992 -91.0093  105.569   36.443   15.676   27.082   12.610 9.360479 20.11830 
1 1 1   -9   21    2 o  162.214   4.6399  1688.83   93.862  1663.41  146.734  1706.44  122.114  161.046   7.1747  163.383   5.8855 -2.336517 9.279803 
1 1 1   -9   21    3 o  122.403   5.8351  943.573   89.703  1119.18  139.822  820.734  116.942  131.856   8.3502  112.951   8.1527 18.90521 11.67021 
1 1 1   -9   21    4 o  173.525   4.4737  1923.10   98.028  1967.64  147.355  1887.73  131.296  175.257   6.6208  171.793   6.0182 3.463974 8.947323 
1 1 1   -9   21    5 o   91.813   7.5134  550.436   87.170  512.134  126.613  584.952  120.192   88.634   11.249   94.992   9.9634 -6.358147 15.02671 
1 1 1   -9   21    6 o  135.706   5.3755  1174.20   92.241  1320.29  137.826  1055.67  124.142  143.292   7.5741  128.119   7.6301 15.17366 10.75102 
1 1 1   -9   21    7 o   33.879   10.437 -11.8949   83.135   2.0924  128.858 -21.8684  108.810   36.113   15.541   31.645   13.937 4.468439 20.87453 
1 1 1   -9   21    8 o  174.147   4.4538  1946.71   98.284  1913.99  143.089  1975.94  135.233  172.697   6.5244  175.596   6.0644 -2.898987 8.907605 
1 1 1   -9   21    9 o   98.612   6.9458  652.930   83.971  482.879  122.536  803.494  115.301   85.738   11.254  111.487   8.1438 -25.74957 13.89165 
1 1 1   -9   21   10 o  118.886   5.8478  897.848   87.306  1042.07  136.450  797.875  113.605  126.751   8.4771  111.022   8.0577 15.72812 11.69557 
1 1 1   -9   21   11 o   85.346   7.8867  478.144   85.084  546.532  125.924  420.692  115.416   90.998   10.897   79.693   11.404 11.30463 15.77330 
1 1 1   -9   21   12 o   57.504   11.609  235.626   87.343  248.001  140.966  227.914  111.276   58.486   17.567   56.523   15.181 1.963486 23.21749 
1 1 1   -9   21   13 f   30.212   10.298 -246.6177  122.376 -458.7456  196.553 -112.3319  156.385   27.685   13.811   32.739   15.279 -5.053453 20.59536 
1 1 1   -9   21   14 o  166.801   7.0866  1778.00  146.436  2445.43  231.639  1333.71  188.992  192.267   9.4870  141.334   10.530 50.93323 14.17318 
1 1 1   -9   21   15 o  204.484   5.6645  2745.01  147.079  2691.78  207.320  2798.96  208.690  202.443   8.0642  206.525   7.9570 -4.081818 11.32897 
1 1 1   -9   21   16 o   50.234   18.803  180.471  161.757  180.471  161.757   0.0000   0.0000   50.234   18.803  ?   ?       ?      ? 
1 1 1   -9   23    1 o   45.896   10.897   22.665  109.160 -328.4602  160.497  324.909  148.906   26.145   12.946   65.647   17.531 -39.50241 21.79311 
1 1 1   -9   23    2 f   44.763   10.833   76.045  102.409 -251.4021  167.397  271.899  129.463   29.009   14.128   60.516   16.425 -31.50716 21.66533 
1 1 1   -9   23    3 o  ?   ?  -590.9983  103.365 -712.7494  161.240 -506.0543  134.680  ?   ?   ?   ?       ?      ? 
1 1 1   -9   23    4 o   27.122   9.2660 -186.5905   97.014 -235.7458  144.902 -146.6566  130.605   26.576   12.987   27.668   13.221 -1.092222 18.53197 
1 1 1   -9   23    5 o   45.055   10.869  103.267   90.004  257.783  126.078 -57.3084  128.527   58.725   16.319   31.385   14.361 27.34022 21.73838 
1 1 1   -9   23    6 f  119.371   6.4425  947.525   97.103  923.161  144.012  967.836  131.490  117.655   9.6385  121.087   8.5510 -3.431984 12.88491 
1 1 1   -9   23    7 o  123.003   6.5420  1023.11   99.158  931.412  155.950  1085.34  128.472  117.514   10.450  128.491   7.8733 -10.97704 13.08406 
1 1 1   -9   23    8 o  132.935   5.7754  1174.86   96.530  1100.93  144.048  1235.13  130.050  128.690   8.8142  137.180   7.4652 -8.490067 11.55074 
1 1 1   -9   23    9 o   46.416   12.653  100.635  119.143  269.936  169.180 -65.9429  167.814   57.803   19.467   35.030   16.167 22.77282 25.30520 
1 1 1   -9   23   10 o   55.010   13.573  241.077  120.280  314.054  167.988  164.310  172.296   61.513   19.311   48.507   19.080 13.00675 27.14643 
1 1 1   -9   23   11 o  108.831   8.7237  839.564  120.100  768.415  170.700  909.309  169.007  103.672   12.966  113.990   11.675 -10.31728 17.44749 
1 1 1   -9   23   12 o  170.750   6.5699  1989.90  141.702  1825.61  204.373  2142.00  196.645  163.225   9.8596  178.274   8.6859 -15.04922 13.13989 
1 1 1   -8    0    2 o  127.106   2.3044  1027.91   52.526  1027.91   52.526  1027.91   52.526  127.106   3.2590  127.106   3.2590 -0.000000 0.000000 
1 1 1   -8    0    3 o  1271.85   14.050 102964.20  3207.51 102964.20  3207.51 102964.20  3207.51  1271.85   19.870  1271.85   19.870 -0.000000 0.000000 
1 1 1   -8    0    4 o  286.751   2.8868  5224.62  148.597  5224.62  148.597  5224.62  148.597  286.751   4.0825  286.751   4.0825 -0.000000 0.000000 
1 1 1   -8    0    5 o  792.906   6.3366 39951.09  902.080 39951.09  902.080 39951.09  902.080  792.906   8.9613  792.906   8.9613 -0.000000 0.000000 
1 1 1   -8    0    6 o  117.880   3.0780  886.024   64.963  886.024   64.963  886.024   64.963  117.880   4.3530  117.880   4.3530 -0.000000 0.000000 
1 1 1   -8    0    7 o   80.275   4.5275  417.031   64.318  417.031   64.318  417.031   64.318   80.275   6.4029   80.275   6.4029 -0.000000 0.000000 
1 1 1   -8    0    8 o  1024.08   8.0856 66673.41  1486.69 66673.41  1486.69 66673.41  1486.69  1024.08   11.435  1024.08   11.435 -0.000000 0.000000 
1 1 1   -8    0    9 o  1114.07   8.7725 78919.10  1754.72 78919.10  1754.72 78919.10  1754.72  1114.07   12.406  1114.07   12.406 -0.000000 0.000000 
1 1 1   -8    0   10 o  452.494   4.1029 13010.08  333.304 13010.08  333.304 13010.08  333.304  452.494   5.8024  452.494   5.8024 -0.000000 0.000000 
1 1 1   -8    0   11 o  257.526   2.9627  4214.84  136.945  4214.84  136.945  4214.84  136.945  257.526   4.1899  257.526   4.1899 -0.000000 0.000000 
1 1 1   -8    0   12 o  466.070   4.0841 13801.67  341.736 13801.67  341.736 13801.67  341.736  466.070   5.7758  466.070   5.7758 -0.000000 0.000000 
1 1 1   -8    0   13 o  539.784   4.5781 18512.93  443.663 18512.93  443.663 18512.93  443.663  539.784   6.4744  539.784   6.4744 -0.000000 0.000000 
1 1 1   -8    0   14 o  167.906   3.2373  1794.30   97.456  1794.30   97.456  1794.30   97.456  167.906   4.5782  167.906   4.5782 -0.000000 0.000000 
1 1 1   -8    0   15 o  365.832   3.6766  8504.14  241.450  8504.14  241.450  8504.14  241.450  365.832   5.1995  365.832   5.1995 -0.000000 0.000000 
1 1 1   -8    0   16 o  946.386   7.5690 56920.36  1286.10 56920.36  1286.10 56920.36  1286.10  946.386   10.704  946.386   10.704 -0.000000 0.000000 
1 1 1   -8    0   18 o  453.957   4.3770 13094.79  356.700 13094.79  356.700 13094.79  356.700  453.957   6.1900  453.957   6.1900 -0.000000 0.000000 
1 1 1   -8    0   19 o   82.745   8.3094  460.599  116.287  460.599  116.287  460.599  116.287   82.745   11.751   82.745   11.751 -0.000000 0.000000 
1 1 1   -8    0   20 o  897.143   7.2145 51167.07  1162.07 51167.07  1162.07 51167.07  1162.07  897.143   10.203  897.143   10.203 -0.000000 0.000000 
1 1 1   -8    0   21 o   88.118   7.7113  516.026  117.012  516.026  117.012  516.026  117.012   88.118   10.905   88.118   10.905 -0.000000 0.000000 
1 1 1   -8    0   22 o   77.852   9.4423  418.464  120.361  418.464  120.361  418.464  120.361   77.852   13.353   77.852   13.353 -0.000000 0.000000 
1 1 1   -8    0   23 o  126.624   5.7151  1032.15  128.752  1032.15  128.752  1032.15  128.752  126.624   8.0823  126.624   8.0823 -0.000000 0.000000 
1 1 1   -8    0   24 o   34.866   13.556  108.458  122.616  108.458  122.616  108.458  122.616   34.866   19.171   34.866   19.171 -0.000000 0.000000 
1 1 1   -8    0   25 o  229.957   4.2982  3369.06  177.230  3369.06  177.230  3369.06  177.230  229.957   6.0785  229.957   6.0785 -0.000000 0.000000 
1 1 1   -8    0   26 o   19.406   9.7257 -182.5181  141.442 -182.5181  141.442 -182.5181  141.442   19.406   13.754   19.406   13.754 -0.000000 0.000000 
1 1 1   -8    0   27 o  111.524   8.1220  819.578  158.724  819.578  158.724  819.578  158.724  111.524   11.486  111.524   11.486 -0.000000 0.000000 
1 1 1   -8    0   28 o   14.588   7.6366 -561.7727  161.983 -561.7727  161.983 -561.7727  161.983   14.588   10.800   14.588   10.800 -0.000000 0.000000 
1 1 1   -8    0   29 o   17.569   9.0699 -407.2029  172.926 -407.2029  172.926 -407.2029  172.926   17.569   12.827   17.569   12.827 -0.000000 0.000000 
1 1 1   -8    0   30 o  223.720   5.0448  3200.52  202.228  3200.52  202.228  3200.52  202.228  223.720   7.1344  223.720   7.1344 -0.000000 0.000000 
1 1 1   -8    0   31 o  219.606   5.1922  3089.41  204.261  3089.41  204.261  3089.41  204.261  219.606   7.3429  219.606   7.3429 -0.000000 0.000000 
1 1 1   -8    0   32 o  126.659   8.2096  1062.90  183.137  1062.90  183.137  1062.90  183.137  126.659   11.610  126.659   11.610 -0.000000 0.000000 
1 1 1   -8    0   33 o   19.418   9.7545 -182.9288  145.256 -182.9288  145.256 -182.9288  145.256   19.418   13.795   19.418   13.795 -0.000000 0.000000 
1 1 1   -8    0   34 o   31.834   13.846   74.110  153.657   74.110  153.657   74.110  153.657   31.834   19.582   31.834   19.582 -0.000000 0.000000 
1 1 1   -8    0   35 o   36.823   14.858  143.729  154.198  143.729  154.198  143.729  154.198   36.823   21.012   36.823   21.012 -0.000000 0.000000 
1 1 1   -8    2    1 f  1248.25   19.534 99273.18  3096.54   0.0000   0.0000 99273.18  3096.54  ?   ?   1248.25   19.534      ?      ? 
1 1 1   -8    2    2 o  311.468   4.2353  6160.92  167.525  6160.92  167.525   0.0000   0.0000  311.468   4.2353  ?   ?       ?      ? 
1 1 1   -8    2    3 o  592.379   4.8766 22254.32  366.406 21579.97  503.284 23014.85  534.474  582.850   6.7995  601.908   6.9923 -19.05786 9.753225 
1 1 1   -8    2    4 o  516.635   4.3714 16899.36  286.233 17813.94  421.410 16116.03  390.000  529.568   6.2662  503.703   6.0969 25.86423 8.742898 
1 1 1   -8    2    5 o  345.239   3.3075  7491.66  144.227  8383.71  218.031  6797.61  192.317  363.322   4.7255  327.155   4.6290 36.16669 6.614981 
1 1 1   -8    2    6 o  712.066   5.7705 32172.09  521.212 31265.19  716.624 33190.62  759.448  701.436   8.0450  722.696   8.2749 -21.25964 11.54108 
1 1 1   -8    2    7 o  525.099   5.0399 17983.88  303.042 18642.58  361.630 16430.48  555.343  541.753   5.2564  508.444   8.6008 33.30908 10.07986 
1 1 1   -8    2    8 o  275.890   3.3499  4730.56  103.533  4618.74  120.047  5055.16  204.542  269.682   3.5053  282.097   5.7096 -12.41507 6.699725 
1 1 1   -8    2    9 o  563.895   5.4629 19814.43  333.281 19469.70  380.262 20956.70  692.186  553.633   5.4086  574.157   9.4932 -20.52368 10.92585 
1 1 1   -8    2   10 o  300.149   3.8638  5683.66  142.397  5574.48  178.923  5872.29  235.178  296.257   4.7558  304.041   6.0910 -7.783752 7.727698 
1 1 1   -8    2   11 o  706.750   6.6451 31516.44  513.741 31294.54  590.661 32205.85  1041.12  701.860   6.6269  711.641   11.520 -9.781189 13.29029 
1 1 1   -8    2   12 o  697.553   6.5109 31341.73  511.779 31844.89  601.280 30018.84  974.955  708.007   6.6875  687.100   11.173 20.90674 13.02182 
1 1 1   -8    2   13 o  458.590   5.0538 13442.11  286.194 13721.43  366.452 13005.33  458.243  464.766   6.2088  452.413   7.9759 12.35229 10.10765 
1 1 1   -8    2   14 o  538.968   5.6428 18582.74  370.180 18910.00  463.929 18009.24  614.143  545.596   6.6958  532.339   9.0846 13.25677 11.28552 
1 1 1   -8    2   15 o  611.300   5.1314 23723.08  397.946 24080.52  577.796 23400.53  548.877  615.672   7.3901  606.928   7.1213 8.744019 10.26285 
1 1 1   -8    2   16 o  790.906   6.4405 39706.32  646.168 40602.07  940.049 38904.02  889.670  799.343   9.2606  782.469   8.9533 16.87384 12.88103 
1 1 1   -8    2   18 o  113.686   5.8273  808.361   83.435  928.638  128.359  720.361  109.793  120.893   8.3608  106.478   8.1196 14.41465 11.65468 
1 1 1   -8    2   19 o  275.046   3.8107  4829.86  131.618  4626.73  199.361  4986.81  175.236  269.886   5.8168  280.206   4.9246 -10.32059 7.621449 
1 1 1   -8    2   20 o  304.682   3.8192  5873.49  145.521  6032.48  227.851  5763.96  189.115  308.138   5.8228  301.226   4.9437 6.911011 7.638396 
1 1 1   -8    2   21 o  332.125   3.8606  7010.23  161.900  7015.68  242.279  7005.84  217.623  332.224   5.7426  332.025   5.1613 0.1993713 7.721135 
1 1 1   -8    2   22 o  142.768   5.0687  1281.79   90.147  1374.51  144.170  1222.27  115.515  146.929   7.7266  138.606   6.5626 8.322830 10.13747 
1 1 1   -8    2   23 o  258.702   5.2057  4255.67  171.024   0.0000   0.0000  4255.67  171.024  ?   ?   258.702   5.2057      ?      ? 
1 1 1   -8    2   24 o   82.361   9.4675  477.619   88.902  335.693  144.571  563.925  112.738   70.742   16.410   93.981   9.4461 -23.23914 18.93493 
1 1 1   -8    2   25 o   85.371   8.5726  466.003   91.487  477.083  143.274  458.375  118.877   86.150   13.096   84.592   11.066 1.558289 17.14519 
1 1 1   -8    2   26 o  261.619   4.2730  4368.26  141.282  4264.57  208.950  4455.59  191.760  258.709   6.3599  264.529   5.7083 -5.819550 8.545974 
1 1 1   -8    2   27 o   73.163   11.084  389.652  101.181  207.571  160.035  510.904  130.595   57.234   18.927   89.091   11.543 -31.85762 22.16897 
1 1 1   -8    2   29 o  139.262   7.3565  1250.57  129.951  1222.18  186.971  1277.09  180.744  137.675   10.694  140.849   10.105 -3.174103 14.71297 
1 1 1   -8    2   30 o   51.921   13.456  152.070  117.077  112.219  172.561  186.062  159.369   49.264   19.176   54.578   18.882 -5.314358 26.91195 
1 1 1   -8    2   31 o  113.894   8.7850  835.148  125.807  1011.53  192.710  704.146  166.082  124.240   12.214  103.547   12.630 20.69292 17.57002 
1 1 1   -8    2   32 o   57.940   13.413  221.726  116.698  323.952  174.891  139.682  156.679   66.760   19.445   49.120   18.482 17.64042 26.82647 
1 1 1   -8    2   33 o  ?   ?  -814.3903   98.280 -867.0302  140.798 -764.3717  137.248  ?   ?   ?   ?       ?      ? 
1 1 1   -8    2   34 o   32.916   10.727 -73.7200  104.155 -105.4843  144.595 -39.4647  150.157   31.038   14.552   34.793   15.765 -3.754929 21.45446 
1 1 1   -8    2   35 o   55.619   13.376  255.603  115.344  304.367  157.372  199.000  169.551   60.543   18.639   50.695   19.191 9.847607 26.75277 
1 1 1   -8    4    1 o  220.986   2.9516  3146.84   73.581  3202.22   86.535  3002.28  139.807  224.558   3.0345  217.414   5.0637 7.144424 5.903295 
1 1 1   -8    4    2 o  548.671   5.2368 19391.21  322.914 19704.30  378.804 18558.76  617.668  556.971   5.3556  540.371   9.0009 16.60028 10.47368 
1 1 1   -8    4    3 o  410.100   4.2010 10472.34  187.880 10278.38  215.099 11096.54  385.875  402.292   4.2104  417.907   7.2709 -15.61514 8.401976 
1 1 1   -8    4    4 o  233.137   3.0357  3441.25   80.821  3427.51   95.240  3476.61  152.770  232.320   3.2282  233.954   5.1420 -1.634171 6.071308 
1 1 1   -8    4    5 o  443.861   4.5000 11837.25  209.739 11349.29  235.093 13740.51  464.296  422.723   4.3793  464.998   7.8626 -42.27521 8.999933 
1 1 1   -8    4    6 o  546.702   6.4215 18988.44  445.828   0.0000   0.0000 18988.44  445.828  ?   ?   546.702   6.4215      ?      ? 
1 1 1   -8    4    7 o   83.835   3.0420  447.033   32.039  536.081   46.252  364.885   44.423   91.875   3.9642   75.795   4.6152 16.07931 6.083978 
1 1 1   -8    4    8 o  347.642   3.2172  7675.85  142.031  7671.36  201.150  7680.32  200.576  347.540   4.5576  347.743   4.5420 -0.2032471 6.434373 
1 1 1   -8    4    9 o  505.027   4.2591 16201.46  273.150 16112.95  385.098 16291.07  387.496  503.639   6.0211  506.414   6.0254 -2.775940 8.518132 
1 1 1   -8    4   10 o   88.155   3.5169  507.285   38.187  422.875   58.557  569.749   50.373   81.593   5.6513   94.716   4.1879 -13.12321 7.033886 
1 1 1   -8    4   11 o  341.521   3.2479  7403.16  140.818  7167.14  196.520  7652.25  201.883  335.929   4.6066  347.112   4.5798 -11.18317 6.495827 
1 1 1   -8    4   12 o  250.255   2.8889  3981.58   91.701  3779.63  130.242  4180.10  129.134  243.954   4.2040  256.556   3.9635 -12.60138 5.777823 
1 1 1   -8    4   13 o  287.770   3.1608  5266.41  115.287  5127.55  167.029  5392.75  159.323  284.140   4.6289  291.400   4.3054 -7.259735 6.321665 
1 1 1   -8    4   14 o  722.721   5.8730 33100.97  538.137 31749.45  735.641 34656.73  789.267  706.899   8.1947  738.543   8.4153 -31.64380 11.74606 
1 1 1   -8    4   16 o  350.501   5.1178  7802.41  227.797   0.0000   0.0000  7802.41  227.797  ?   ?   350.501   5.1178      ?      ? 
1 1 1   -8    4   17 o  696.309   5.3082 30708.86  454.533 31175.21  744.725 30432.00  573.802  700.464   8.3721  692.154   6.5280 8.309021 10.61633 
1 1 1   -8    4   18 o  365.846   4.2484  8339.94  164.960  8797.62  351.964  8211.10  186.740  372.117   7.4480  359.574   4.0895 12.54343 8.496881 
1 1 1   -8    4   19 o  387.910   4.3602  9355.06  179.891  9936.11  383.288  9190.91  203.723  395.413   7.6330  380.408   4.2171 15.00531 8.720484 
1 1 1   -8    4   20 o  615.335   6.4510 23846.35  475.939 23358.39  580.945 24842.32  829.979  606.072   7.5480  624.598   10.464 -18.52649 12.90207 
1 1 1   -8    4   21 o   96.422   7.0044  587.717   82.811  611.864  137.436  573.954  103.761   97.916   11.053   94.929   8.6072 2.987549 14.00877 
1 1 1   -8    4   22 o  312.047   3.9552  6157.25  151.738  6331.41  249.511  6055.04  191.147  315.471   6.2281  308.623   4.8771 6.847565 7.910427 
1 1 1   -8    4   23 o  181.113   4.4562  2039.22   97.504  2242.09  169.332  1938.58  119.260  187.641   7.1062  174.586   5.3791 13.05452 8.912467 
1 1 1   -8    4   24 o  201.365   4.3718  2566.68  105.231  2624.19  183.796  2538.63  128.350  202.949   7.1313  199.781   5.0590 3.167770 8.743531 
1 1 1   -8    4   25 o  272.414   4.0931  4689.57  137.307  4864.93  225.289  4585.93  173.190  276.354   6.4194  268.474   5.0798 7.879852 8.186163 
1 1 1   -8    4   26 o   97.821   8.1928  639.471   93.464  550.394  162.718  683.332  114.179   92.270   13.887  103.372   8.6977 -11.10208 16.38565 
1 1 1   -8    4   27 o  106.666   7.5528  700.680   97.825  836.540  170.290  633.763  119.513  113.916   11.771   99.417   9.4663 14.49908 15.10554 
1 1 1   -8    4   29 o   91.196   10.281  567.557  110.069  496.764  179.660  610.094  139.265   85.265   17.186   97.128   11.291 -11.86338 20.56293 
1 1 1   -8    4   30 o   53.578   12.971  181.226  113.490   40.324  190.118  259.233  141.459   45.836   19.264   61.320   17.374 -15.48420 25.94145 
1 1 1   -8    4   31 o   80.738   11.501  426.807  114.736  605.984  183.290  311.356  147.128   95.053   15.184   66.423   17.278 28.63002 23.00218 
1 1 1   -8    4   32 o   55.740   12.629  195.059  108.129  343.806  163.936   80.515  143.859   68.490   18.439   42.989   17.261 25.50116 25.25740 
1 1 1   -8    4   33 o  154.234   6.0058  1559.30  116.866  1571.46  175.742  1549.65  156.478  154.495   8.9574  153.973   8.0026 0.5223999 12.01154 
1 1 1   -8    4   34 o  158.565   8.6780  1671.10  174.745   0.0000   0.0000  1671.10  174.745  ?   ?   158.565   8.6780      ?      ? 
1 1 1   -8    4   35 o   39.723   17.426   46.377  168.656   46.377  168.656   0.0000   0.0000   39.723   17.426  ?   ?       ?      ? 
1 1 1   -8    6    1 o  115.652   2.4892  849.456   36.556  851.797   51.424  847.065   51.975  115.813   3.4965  115.491   3.5438 0.3223953 4.978338 
1 1 1   -8    6    2 o  257.277   2.7180  4173.27   88.473  4592.26  132.087  3832.34  119.149  268.903   3.8680  245.650   3.8194 23.25375 5.435941 
1 1 1   -8    6    3 o  220.857   2.5664  3075.50   71.721  3423.87  106.657  2787.95   96.901  232.192   3.6171  209.523   3.6418 22.66943 5.132881 
1 1 1   -8    6    4 o  200.548   2.4990  2554.18   63.634  2555.08   90.844  2553.31   89.165  200.583   3.5664  200.514   3.5016 0.6892395E-01 4.998039 
1 1 1   -8    6    5 o  455.265   3.9125 13164.91  226.195 13082.93  318.400 13248.44  321.399  453.834   5.5246  456.695   5.5417 -2.861176 7.825013 
1 1 1   -8    6    6 o  544.146   4.5276 18810.14  312.865 18790.83  442.326 18829.48  442.589  543.866   6.4043  544.425   6.4015 -0.5591431 9.055110 
1 1 1   -8    6    7 o  545.595   4.5404 18899.04  314.457 19277.22  452.772 18546.64  437.062  550.862   6.4723  540.327   6.3695 10.53528 9.080843 
1 1 1   -8    6    8 o  452.384   3.9029 12992.57  224.128 13218.46  322.488 12781.52  311.716  456.185   5.5667  448.584   5.4719 7.600403 7.805732 
1 1 1   -8    6    9 o  490.243   4.1645 15261.60  259.222 15019.32  362.358 15515.56  370.984  486.260   5.8680  494.226   5.9109 -7.966248 8.328991 
1 1 1   -8    6   10 o  391.569   3.5440  9735.71  176.204  9531.89  247.003  9946.91  251.435  387.397   5.0207  395.741   5.0031 -8.344269 7.087928 
1 1 1   -8    6   11 o  302.092   3.7898  5794.62  138.186  5790.71  170.662  5802.08  235.478  301.958   4.4505  302.226   6.1354 -0.2682190 7.579566 
1 1 1   -8    6   12 o  703.904   5.7079 31392.80  509.241 30135.35  694.383 32856.13  749.073  688.702   7.9394  719.105   8.2027 -30.40326 11.41571 
1 1 1   -8    6   13 o  540.396   4.5753 18539.04  313.801 18837.63  453.005 18263.58  435.101  544.574   6.5504  536.217   6.3896 8.356689 9.150651 
1 1 1   -8    6   14 o  229.306   3.3546  3334.30   96.608  3373.48  148.453  3305.51  127.237  230.469   5.0722  228.143   4.3916 2.326523 6.709242 
1 1 1   -8    6   15 o  483.385   6.0021 14841.57  368.445   0.0000   0.0000 14841.57  368.445  ?   ?   483.385   6.0021      ?      ? 
1 1 1   -8    6   16 o  538.002   4.6612 18390.08  318.399 18152.67  452.981 18621.92  447.634  534.567   6.6727  541.438   6.5102 -6.870972 9.322443 
1 1 1   -8    6   17 o  829.185   6.6965 43700.62  705.072 43657.88  1004.09 43742.18  990.300  828.779   9.5402  829.591   9.3999 -0.8120117 13.39304 
1 1 1   -8    6   18 o  457.073   4.2706 13216.05  245.758 13693.38  375.706 12859.06  324.910  464.242   6.3727  449.905   5.6867 14.33609 8.541127 
1 1 1   -8    6   19 o  185.904   4.0158  2219.07   90.440  2119.24  151.017  2274.90  112.930  182.585   6.5130  189.224   4.6996 -6.639084 8.031528 
1 1 1   -8    6   20 o  229.825   4.0922  3438.99   94.373  3227.75  210.986  3491.82  105.517  225.206   7.3773  234.443   3.5441 -9.236771 8.184419 
1 1 1   -8    6   21 o   44.637   8.4980  156.686   55.157 -83.7935  134.098  205.656   60.513   32.462   14.782   56.812   8.3874 -24.35001 16.99607 
1 1 1   -8    6   22 o  111.603   6.0240  764.148   65.930  842.028  157.924  747.709   72.555  114.776   10.835  108.430   5.2691 6.345383 12.04807 
1 1 1   -8    6   23 o   46.496   10.018  153.725   61.082   17.442  149.684  180.953   66.906   40.705   17.100   52.286   10.442 -11.58091 20.03615 
1 1 1   -8    6   24 o   75.392   10.153  534.714   68.774  150.003  170.231  609.753   75.183   52.925   19.383   97.858   6.0498 -44.93293 20.30551 
1 1 1   -8    6   25 o  132.548   6.1118  1182.57   74.968  1036.97  182.122  1212.27   82.260  127.060   11.287  138.036   4.6927 -10.97578 12.22358 
1 1 1   -8    6   26 o  122.978   6.4233  960.000   93.454  992.974  166.850  944.926  112.810  124.312   10.569  121.643   7.3027 2.668571 12.84652 
1 1 1   -8    6   27 o  344.980   5.4585  7584.08  239.134   0.0000   0.0000  7584.08  239.134  ?   ?   344.980   5.4585      ?      ? 
1 1 1   -8    6   28 o   89.289   8.9978  520.292   98.919  506.037  159.524  529.197  126.086   88.038   14.269   90.540   10.966 -2.502457 17.99567 
1 1 1   -8    6   29 o  107.012   8.6142  759.768  109.082  703.676  188.661  787.936  133.695  103.477   14.357  110.549   9.5233 -7.072029 17.22835 
1 1 1   -8    6   30 o   93.394   10.428  599.873  109.304  558.182  196.467  618.562  131.541   89.297   17.948   97.491   10.625 -8.193428 20.85678 
1 1 1   -8    6   31 o   38.047   11.822  -9.8213  102.918   1.9611  183.699 -15.2115  124.249   42.031   18.319   34.063   14.950 7.967236 23.64461 
1 1 1   -8    6   32 o  ?   ?  -1345.5240  121.036 -1532.6780  174.136 -1170.5940  168.353  ?   ?   ?   ?       ?      ? 
1 1 1   -8    6   33 o   38.130   16.769   8.5926  157.041   8.5926  157.041   0.0000   0.0000   38.130   16.769  ?   ?       ?      ? 
1 1 1   -8    6   34 o   75.737   16.020  442.551  149.267  442.551  149.267   0.0000   0.0000   75.737   16.020  ?   ?       ?      ? 
1 1 1   -8    8    1 o  353.489   3.2715  7921.74  146.713  7617.68  202.044  8260.89  213.387  346.327   4.5939  360.651   4.6591 -14.32382 6.543040 
1 1 1   -8    8    2 o  360.207   3.3124  8240.28  151.519  8185.06  213.488  8296.34  215.080  358.991   4.6829  361.423   4.6860 -2.432098 6.624826 
1 1 1   -8    8    3 o  706.856   5.7034 31725.94  511.702 31080.81  709.922 32423.51  738.219  699.387   7.9931  714.325   8.1379 -14.93774 11.40680 
1 1 1   -8    8    4 o  1042.97   8.2047 69170.65  1086.66 69511.11  1544.37 68836.80  1529.29  1045.51   11.632  1040.43   11.574 5.075806 16.40931 
1 1 1   -8    8    5 o  311.045   3.0450  6119.99  120.029  5751.69  163.527  6550.18  176.735  300.940   4.2789  321.150   4.3335 -20.20981 6.089994 
1 1 1   -8    8    6 o  303.562   3.0137  5791.91  115.518  6441.88  175.105  5291.07  153.711  318.484   4.3295  288.640   4.1935 29.84442 6.027383 
1 1 1   -8    8    7 o  256.817   2.8369  4187.31   92.496  4241.66  132.662  4135.88  129.030  258.438   4.0422  255.196   3.9814 3.242142 5.673707 
1 1 1   -8    8    8 o  628.728   5.1531 25113.62  411.442 25049.80  580.896 25177.86  582.843  627.927   7.2847  629.529   7.2905 -1.602722 10.30624 
1 1 1   -8    8    9 o  893.418   8.7205 50441.14  924.367 51643.29  1638.88 49880.30  1119.41  900.944   14.324  885.891   9.9502 15.05261 17.44110 
1 1 1   -8    8   10 o  381.324   3.5126  9232.79  170.081  9066.78  238.497  9404.60  242.618  377.836   4.9705  384.811   4.9648 -6.974609 7.025295 
1 1 1   -8    8   11 f  771.542   6.2124 37823.38  608.693 37728.28  860.243 37918.73  861.401  770.570   8.7909  772.513   8.7806 -1.943054 12.42487 
1 1 1   -8    8   12 o  485.863   4.2505 14993.78  262.260 14924.65  370.206 15063.43  371.582  484.738   6.0139  486.987   6.0084 -2.248779 8.501074 
1 1 1   -8    8   13 o  243.868   4.6388  3777.00  143.662   0.0000   0.0000  3777.00  143.662  ?   ?   243.868   4.6388      ?      ? 
1 1 1   -8    8   14 o  228.985   3.2998  3290.08   94.990  3603.50  147.393  3067.42  124.230  238.198   4.8726  219.771   4.4512 18.42691 6.599666 
1 1 1   -8    8   15 o  191.715   3.6454  2343.28   86.482  2294.59  138.151  2374.66  110.899  190.065   5.7237  193.365   4.5162 -3.300674 7.290850 
1 1 1   -8    8   16 o  186.921   3.5384  2224.25   81.576  2198.41  131.782  2240.30  103.869  186.031   5.5782  187.811   4.3550 -1.780045 7.076862 
1 1 1   -8    8   17 o  168.373   3.8446  1804.72   79.195  1788.48  130.617  1814.17   99.587  167.757   6.1311  168.989   4.6405 -1.231583 7.689298 
1 1 1   -8    8   18 o  242.749   3.4698  3767.28  104.813  3628.49  164.012  3863.08  136.269  238.925   5.4055  246.573   4.3518 -7.648193 6.939610 
1 1 1   -8    8   19 o   46.933   10.429  128.328   63.189  169.786  122.673  113.356   73.721   51.882   16.528   41.984   12.725 9.898441 20.85861 
1 1 1   -8    8   20 o  197.210   3.9939  2492.95   92.597  2422.07  164.802  2525.66  111.937  195.082   6.6523  199.338   4.4219 -4.256668 7.987836 
1 1 1   -8    8   21 o  153.938   4.6667  1467.30   67.484  1570.72  169.564  1447.83   73.560  156.940   8.5079  150.936   3.8377 6.003769 9.333393 
1 1 1   -8    8   22 o   87.274   6.7349  433.163   56.267  572.095  144.621  408.382   61.079   94.450   12.057   80.098   6.0047 14.35226 13.46975 
1 1 1   -8    8   23 o  112.335   6.6669  876.867   63.146  715.418  168.134  903.379   68.134  105.488   12.551  119.182   4.5017 -13.69434 13.33381 
1 1 1   -8    8   24 o  344.285   4.2479  7609.27  155.170  7447.24  324.943  7657.13  176.607  341.569   7.4912  347.001   4.0077 -5.431763 8.495872 
1 1 1   -8    8   25 o  223.580   4.1925  3108.95   95.264  3316.41  216.113  3058.91  106.132  227.846   7.4690  219.314   3.8107 8.532730 8.384923 
1 1 1   -8    8   26 o  413.187   5.1262  9168.07  222.183 14236.00  519.727  8034.75  245.773  471.303   8.6836  355.070   5.4506 116.2328 10.25247 
1 1 1   -8    8   27 o   80.680   10.749  623.547   89.401  127.912  191.206  762.216  101.137   52.203   20.222  109.157   7.2959 -56.95429 21.49829 
1 1 1   -8    8   28 o  171.726   5.5204  1750.72   86.184  2102.34  231.120  1693.93   92.884  180.399   10.089  163.053   4.4857 17.34573 11.04082 
1 1 1   -8    8   29 o  103.579   8.6372  703.537   77.812  703.060  209.066  703.614   83.835  102.348   16.085  104.810   6.2986 -2.461945 17.27439 
1 1 1   -8    8   30 o   95.320   10.882  763.629   94.846  415.026  200.637  863.949  107.632   74.919   20.495  115.721   7.3240 -40.80264 21.76465 
1 1 1   -8    8   31 o  ?   ?  -513.4076   92.692 -746.3226  184.912 -435.2391  107.123  ?   ?   ?   ?       ?      ? 
1 1 1   -8    8   32 o   99.751   14.655  704.979  185.639  704.979  185.639   0.0000   0.0000   99.751   14.655  ?   ?       ?      ? 
1 1 1   -8    8   33 o   52.997   21.080  215.692  212.523  215.692  212.523   0.0000   0.0000   52.997   21.080  ?   ?       ?      ? 
1 1 1   -8   10    1 o  319.532   3.1452  6481.68  127.599  6298.71  178.603  6672.43  182.359  314.927   4.4658  324.136   4.4302 -9.208679 6.290475 
1 1 1   -8   10    2 o  432.702   3.8170 11891.71  209.745 11872.22  296.314 11911.29  296.937  432.346   5.3969  433.057   5.3994 -0.7107239 7.634084 
1 1 1   -8   10    3 o  786.716   6.3027 39305.68  629.407 40059.39  906.531 38604.20  874.561  793.989   8.9906  779.444   8.8354 14.54462 12.60541 
1 1 1   -8   10    4 o  290.540   3.0422  5356.34  112.185  5491.23  161.999  5232.03  155.507  294.052   4.3382  287.029   4.2663 7.023071 6.084492 
1 1 1   -8   10    5 o  783.169   6.2820 38884.43  623.720 40427.43  915.028 37545.30  852.441  797.639   9.0334  768.699   8.7323 28.93976 12.56406 
1 1 1   -8   10    6 o  320.082   3.2626  6486.43  132.407  6050.85  181.777  6978.74  193.254  308.670   4.6373  331.494   4.5907 -22.82397 6.525256 
1 1 1   -8   10    7 o  130.995   3.8586  1073.26   63.459  1332.67   95.938  871.473   84.613  144.855   5.2153  117.136   5.6882 27.71949 7.717159 
1 1 1   -8   10    8 o  426.371   3.8802 11545.90  210.070 11569.84  299.704 11522.78  294.531  426.805   5.5295  425.938   5.4451 0.8670654 7.760450 
1 1 1   -8   10    9 o  832.003   6.6682 43975.28  704.367 44605.26  1009.92 43378.59  982.878  837.799   9.4923  826.208   9.3677 11.59131 13.33632 
1 1 1   -8   10   10 o  241.450   3.2104  3705.60   98.343  3537.73  139.618  3870.90  138.544  236.017   4.6582  246.883   4.4189 -10.86618 6.420763 
1 1 1   -8   10   11 o  421.782   3.8449 11299.64  205.933 11259.10  292.385 11339.55  290.094  421.031   5.4684  422.534   5.4063 -1.502869 7.689731 
1 1 1   -8   10   12 o  417.915   3.8649 11089.93  205.024 11200.87  295.068 10986.37  285.086  419.934   5.5330  415.897   5.3977 4.037170 7.729816 
1 1 1   -8   10   13 o  627.943   5.2045 25035.89  414.760 25540.92  599.561 24572.41  574.367  634.007   7.4467  621.880   7.2729 12.12701 10.40901 
1 1 1   -8   10   14 o  204.391   3.2456  2656.47   84.062  2605.25  122.298  2702.34  115.736  202.518   4.7553  206.263   4.4184 -3.744659 6.491165 
1 1 1   -8   10   15 o  275.246   3.2625  4822.82  113.767  4642.36  164.753  4987.30  157.289  270.308   4.7995  280.184   4.4206 -9.875763 6.525067 
1 1 1   -8   10   16 o  257.951   3.2569  4241.39  106.152  4084.24  156.537  4375.17  144.435  253.502   4.8625  262.400   4.3344 -8.898422 6.513894 
1 1 1   -8   10   17 o  470.649   4.1923 14090.11  250.530 13950.95  356.301 14226.19  352.338  468.342   5.9907  472.956   5.8663 -4.613647 8.384578 
1 1 1   -8   10   18 o   64.905   7.8761  265.231   58.168  296.370  107.868  252.463   69.071   66.878   13.170   62.933   8.6426 3.945095 15.75215 
1 1 1   -8   10   19 o  289.561   3.4278  5343.56  124.811  5240.36  189.309  5422.91  165.999  287.052   5.1932  292.069   4.4755 -5.016876 6.855595 
1 1 1   -8   10   20 o  198.433   3.6988  2491.88   88.179  2544.46  152.422  2465.43  108.107  199.940   6.0030  196.925   4.3229 3.015396 7.397541 
1 1 1   -8   10   21 o   79.680   7.2938  374.956   65.530  476.273  132.667  342.259   75.366   86.125   12.130   73.235   8.1036 12.89030 14.58767 
1 1 1   -8   10   22 o  206.259   4.0424  2686.55   97.419  2766.74  177.866  2652.18  116.436  208.325   6.7232  204.193   4.4902 4.132446 8.084743 
1 1 1   -8   10   23 o  271.245   4.1826  4468.40  108.857  5031.26  269.493  4358.66  118.996  280.663   7.5611  261.828   3.5788 18.83578 8.365294 
1 1 1   -8   10   24 o   32.661   15.396 -384.3280   65.776 -175.4295  165.719 -423.3917   71.662   32.661   15.396  ?   ?       ?      ? 
1 1 1   -8   10   25 o  196.637   5.2346  2622.34   93.806  2260.19  231.083  2693.79  102.643  187.512   9.7043  205.763   3.9281 -18.25166 10.46914 
1 1 1   -8   10   26 o   43.701   10.969  114.522   62.059   24.173  177.913  127.037   66.218   43.860   18.545   43.543   11.717 0.3170776 21.93703 
1 1 1   -8   10   27 o  164.996   4.0687  1733.95   85.253   0.0000   0.0000  1733.95   85.253  ?   ?   164.996   4.0687      ?      ? 
1 1 1   -8   10   28 o   55.314   12.034  178.429   66.104  241.266  202.817  170.960   69.922   60.442   21.278   50.187   11.249 10.25467 24.06880 
1 1 1   -8   10   29 o   48.757   10.507  186.257   72.350 -50.1674  188.383  227.164   78.360   39.714   17.857   57.800   11.079 -18.08614 21.01427 
1 1 1   -8   10   30 o  182.579   10.602  2219.82  245.817   0.0000   0.0000  2219.82  245.817  ?   ?   182.579   10.602      ?      ? 
1 1 1   -8   12    1 o  130.726   5.3393  1112.14   81.113  1154.52   97.834  1018.96  145.070  134.821   5.7142  126.630   9.0211 8.191269 10.67863 
1 1 1   -8   12    2 o  481.656   4.2169 14729.24  257.851 14975.09  370.412 14498.09  359.161  485.552   6.0072  477.759   5.9197 7.793213 8.433843 
1 1 1   -8   12    3 o  477.170   4.1937 14460.00  254.104 14274.76  356.538 14651.22  362.245  474.065   5.9223  480.275   5.9393 -6.209869 8.387421 
1 1 1   -8   12    4 o  686.648   5.6178 29955.64  489.860 29986.79  694.624 29924.82  690.925  687.002   7.9619  686.293   7.9276 0.7084351 11.23559 
1 1 1   -8   12    5 o  323.480   3.3872  6645.23  139.095  6663.38  199.523  6628.06  194.014  323.909   4.8506  323.051   4.7292 0.8577576 6.774433 
1 1 1   -8   12    6 o  491.497   4.2705 15336.12  266.447 15636.58  383.331 15055.26  370.617  496.151   6.0839  486.844   5.9946 9.307159 8.541005 
1 1 1   -8   12    7 o   82.577   5.5635  435.098   58.059  409.691   84.820  457.496   79.641   80.296   8.3182   84.858   7.3904 -4.562050 11.12699 
1 1 1   -8   12    8 o  596.051   4.9862 22569.58  377.404 22349.55  530.330 22795.34  537.196  593.109   7.0410  598.994   7.0621 -5.884827 9.972390 
1 1 1   -8   12    9 o  400.964   3.7602 10159.21  190.785 10827.47  284.806  9615.24  256.959  412.860   5.4321  389.069   5.2007 23.79095 7.520306 
1 1 1   -8   12   10 o   52.765   8.4550  186.842   55.287  158.615   82.639  209.713   74.385   49.052   13.041   56.478   10.764 -7.425617 16.90998 
1 1 1   -8   12   11 o  176.749   3.2766  1989.46   73.310  1913.46  106.812  2057.15  100.802  173.545   4.8465  179.952   4.4110 -6.407013 6.553269 
1 1 1   -8   12   12 o  271.997   3.2057  4695.53  110.600  4802.81  161.052  4599.79  152.150  274.931   4.6128  269.064   4.4529 5.867340 6.411410 
1 1 1   -8   12   13 o  426.656   3.8792 11573.67  210.164 11516.86  298.832 11629.27  295.626  425.616   5.5288  427.696   5.4429 -2.080383 7.758411 
1 1 1   -8   12   14 f  173.318   3.2945  1899.16   71.902  1984.73  110.013  1835.35   95.001  176.698   4.9027  169.937   4.4021 6.760834 6.589014 
1 1 1   -8   12   15 o  245.600   3.1739  3826.00   98.790  3954.05  145.289  3715.88  134.727  249.409   4.5872  241.792   4.3877 7.617065 6.347747 
1 1 1   -8   12   16 o  202.605   3.2103  2591.57   81.806  2734.16  126.034  2487.76  107.538  207.375   4.7858  197.836   4.2804 9.538712 6.420699 
1 1 1   -8   12   17 f  190.355   3.4614  2308.02   82.599  2280.46  127.032  2328.21  108.720  189.345   5.2830  191.365   4.4737 -2.020081 6.922770 
1 1 1   -8   12   18 o  346.442   3.5030  7637.61  154.048  7434.44  219.021  7836.52  216.711  341.870   5.0448  351.015   4.8616 -9.145477 7.006093 
1 1 1   -8   12   19 o   48.920   9.5989  164.898   61.358  116.290  106.204  189.251   75.173   44.521   15.414   53.318   11.444 -8.796204 19.19790 
1 1 1   -8   12   20 o  179.688   4.5551  2054.04  103.942   0.0000   0.0000  2054.04  103.942  ?   ?   179.688   4.5551      ?      ? 
1 1 1   -8   12   21 o  150.336   4.4366  1391.53   79.532  1583.66  142.843  1305.21   95.746  157.507   7.1414  143.165   5.2663 14.34236 8.873161 
1 1 1   -8   12   22 o  263.543   4.7650  4421.70  159.473   0.0000   0.0000  4421.70  159.473  ?   ?   263.543   4.7650      ?      ? 
1 1 1   -8   12   23 o  152.539   5.6873  1651.85   95.464  1136.76  170.103  1888.68  115.341  132.923   10.077  172.154   5.2758 -39.23085 11.37456 
1 1 1   -8   12   24 o  358.291   4.5114  8221.78  166.221  8161.57  364.495  8237.59  186.772  356.835   8.0435  359.746   4.0883 -2.910828 9.022855 
1 1 1   -8   12   25 o   95.151   7.6124  520.245   59.923  680.449  182.699  500.933   63.432  101.731   14.142   88.572   5.6395 13.15955 15.22480 
1 1 1   -8   12   26 o  176.355   5.3132  2052.17   80.677  1927.51  217.255  2072.11   86.891  172.350   9.9261  180.359   3.7937 -8.008881 10.62639 
1 1 1   -8   12   27 o   95.746   8.1054  546.372   63.476  685.935  193.316  529.507   67.202  100.622   15.129   90.869   5.8236 9.752670 16.21071 
1 1 1   -8   14    1 o  307.107   3.9650  5996.02  147.320  6002.47  182.507  5983.95  249.580  307.380   4.6755  306.834   6.4051 0.5459595 7.930056 
1 1 1   -8   14    2 o  664.473   5.4577 28068.33  460.455 27659.35  643.680 28496.95  658.952  659.522   7.6853  669.425   7.7513 -9.903015 10.91545 
1 1 1   -8   14    3 o  378.664   4.4508  9079.15  199.883  9211.38  353.876  9017.20  242.224  380.612   7.3214  376.717   5.0632 3.894470 8.901586 
1 1 1   -8   14    4 o  407.273   3.7730 10533.27  195.031 10750.12  281.569 10333.28  270.402  411.296   5.3908  403.250   5.2803 8.046173 7.546008 
1 1 1   -8   14    5 o  260.502   3.1866  4309.63  105.372  4376.53  151.743  4247.33  146.435  262.452   4.5528  258.553   4.4598 3.899475 6.373241 
1 1 1   -8   14    6 o  191.724   3.3710  2347.20   81.601  2076.41  116.213  2610.57  114.606  180.753   5.0628  202.694   4.4523 -21.94118 6.742046 
1 1 1   -8   14    7 o  332.250   3.4193  7005.82  144.124  7229.50  209.662  6805.44  198.443  337.267   4.8952  327.233   4.7753 10.03345 6.838591 
1 1 1   -8   14    8 o  406.644   3.7955 10509.39  195.924 10633.71  281.740 10392.97  272.640  408.967   5.4248  404.322   5.3099 4.644958 7.590986 
1 1 1   -8   14    9 o  141.676   3.8158  1285.44   67.920  1204.14  101.914  1350.39   91.101  137.601   5.8322  145.751   4.9219 -8.150055 7.631533 
1 1 1   -8   14   10 o  313.603   3.3337  6251.82  132.650  6244.93  191.588  6258.16  183.842  313.430   4.8134  313.776   4.6137 -0.3463135 6.667435 
1 1 1   -8   14   11 o  202.910   3.2006  2604.62   82.151  2753.05  122.879  2484.66  110.468  208.107   4.6496  197.714   4.3997 10.39236 6.401244 
1 1 1   -8   14   12 o  135.568   3.7858  1170.30   64.997  1147.97   95.013  1189.94   89.110  134.342   5.5692  136.794   5.1296 -2.452057 7.571614 
1 1 1   -8   14   13 o  339.462   4.2576  7348.39  174.637  7382.59  216.253  7284.28  296.103  340.718   4.9979  338.207   6.8942 2.511383 8.515221 
1 1 1   -8   14   14 o  325.611   3.4262  6743.08  141.631  6722.27  202.668  6762.94  198.006  325.113   4.9088  326.108   4.7812 -0.9956360 6.852457 
1 1 1   -8   14   15 o   97.524   5.0900  588.630   62.117  729.588   98.086  494.245   80.263  106.989   7.2192   88.060   7.1773 18.92844 10.17991 
1 1 1   -8   14   16 o  138.237   4.1005  1225.91   70.966  1156.58  108.176  1278.29   94.028  134.745   6.3218  141.730   5.2242 -6.984940 8.201062 
1 1 1   -8   14   17 o  111.027   4.7818  779.519   66.045  817.448  105.612  755.161   84.635  113.185   7.3476  108.869   6.1216 4.316002 9.563587 
1 1 1   -8   14   18 o  118.298   4.5885  872.532   68.032  1019.58  107.331  773.777   87.958  126.428   6.6850  110.168   6.2870 16.25996 9.176928 
1 1 1   -8   14   19 o   30.091   8.9877 -25.9764   63.930   59.208   92.761 -103.0433   88.230   36.686   14.120   23.496   11.123 13.18947 17.97537 
1 1 1   -8   14   21 o  162.417   4.3955  1698.32   87.056  1630.40  143.390  1737.97  109.560  159.699   7.0703  165.136   5.2243 -5.437912 8.791088 
1 1 1   -8   14   22 o  220.309   3.9667  3073.88  106.420  3177.59  179.175  3017.35  132.280  223.014   6.3266  217.605   4.7868 5.408859 7.933439 
1 1 1   -8   14   23 o  213.783   4.2501  2881.54  105.688  3021.86  195.227  2823.37  125.700  217.135   7.0800  210.431   4.7038 6.703659 8.500116 
1 1 1   -8   14   24 o   53.838   11.107  195.235   73.414  192.490  149.411  196.109   84.290   54.106   18.294   53.569   12.601 0.5371361 22.21421 
1 1 1   -8   16    1 o  416.149   3.8485 11010.00  203.234 11125.84  293.775 10903.66  281.454  418.236   5.5311  414.062   5.3526 4.174622 7.697006 
1 1 1   -8   16    2 o  208.688   3.2588  2774.29   86.184  2619.40  123.374  2921.93  120.445  202.977   4.7863  214.399   4.4237 -11.42137 6.517504 
1 1 1   -8   16    3 o  233.050   3.1771  3433.19   93.594  3646.36  140.725  3264.10  125.331  239.493   4.6270  226.608   4.3552 12.88525 6.354294 
1 1 1   -8   16    4 o  221.684   3.2490  3120.19   91.238  3179.61  134.393  3069.38  124.261  223.631   4.7322  219.737   4.4530 3.894348 6.497959 
1 1 1   -8   16    5 f  271.815   3.2654  4698.38  112.531  4677.98  163.728  4716.64  154.922  271.246   4.7532  272.385   4.4787 -1.139313 6.530799 
1 1 1   -8   16    6 o  283.534   3.3397  5106.18  119.836  5175.13  177.515  5048.45  162.435  285.276   4.9000  281.792   4.5391 3.483643 6.679314 
1 1 1   -8   16    7 o  138.652   3.9435  1223.27   69.369  1219.21  100.241  1226.99   96.096  138.425   5.7023  138.879   5.4487 -0.4540405 7.887009 
1 1 1   -8   16    8 o  173.823   3.5352  1903.10   77.593  2098.63  117.649  1752.58  103.226  181.643   5.1003  166.004   4.8966 15.63857 7.070300 
1 1 1   -8   16    9 o  179.685   3.4719  2035.09   78.809  2236.39  119.148  1878.53  105.079  187.507   5.0037  171.863   4.8146 15.64453 6.943844 
1 1 1   -8   16   10 o  113.895   4.5768  816.199   65.725  911.659  100.567  745.029   86.835  119.629   6.6198  108.160   6.3219 11.46849 9.153564 
1 1 1   -8   16   11 o  319.823   3.4577  6498.54  140.246  6665.55  204.681  6350.74  192.549  323.680   4.9795  315.966   4.7987 7.713928 6.915389 
1 1 1   -8   16   12 o  266.714   3.3665  4528.41  113.943  4438.24  163.269  4614.02  159.092  264.113   4.8678  269.316   4.6517 -5.203125 6.733036 
1 1 1   -8   16   13 o  224.331   3.3210  3187.55   94.146  3342.05  141.568  3065.04  126.061  229.166   4.8645  219.496   4.5225 9.669830 6.642003 
1 1 1   -8   16   14 o  254.475   3.4161  4123.04  110.101  4102.75  161.520  4140.64  150.477  253.867   5.0101  255.082   4.6453 -1.215515 6.832244 
1 1 1   -8   16   15 o  269.688   3.4605  4634.78  118.302  4549.87  171.632  4711.62  163.289  267.309   5.0560  272.068   4.7261 -4.758423 6.920914 
1 1 1   -8   16   16 o  296.790   5.4122  5612.27  203.988  5612.27  203.988   0.0000   0.0000  296.790   5.4122  ?   ?       ?      ? 
1 1 1   -8   16   17 o  310.249   4.7719  6037.99  174.915  5856.49  210.174  6446.97  315.495  303.115   5.4600  317.384   7.8276 -14.26932 9.543761 
1 1 1   -8   16   18 o  171.624   3.9124  1874.11   84.308  1905.56  129.807  1851.16  110.877  172.815   5.9148  170.434   5.1228 2.381287 7.824832 
1 1 1   -8   16   19 o  284.411   3.5833  5170.86  128.943  4965.57  188.384  5351.82  176.866  279.028   5.3164  289.794   4.8059 -10.76642 7.166656 
1 1 1   -8   16   20 o  234.825   3.6965  3531.53  108.037  3455.10  169.644  3583.67  140.127  232.557   5.7442  237.092   4.6540 -4.535812 7.392971 
1 1 1   -8   16   21 o  391.186   3.9384  9790.55  195.332  9653.00  283.324  9915.16  269.664  388.480   5.7430  393.891   5.3910 -5.410522 7.876830 
1 1 1   -8   16   22 o   45.369   12.030   79.608   86.959  211.290  167.591   31.094  101.724   56.174   19.367   34.565   14.274 21.60907 24.05939 
1 1 1   -8   16   23 o   31.289   15.021 -214.3996  173.029 -214.3996  173.029   0.0000   0.0000   31.289   15.021  ?   ?       ?      ? 
1 1 1   -8   18    1 o  271.631   3.4365  4670.64  118.079  4960.05  176.698  4437.12  158.723  279.180   4.9839  264.082   4.7328 15.09769 6.873067 
1 1 1   -8   18    2 o  161.557   3.8920  1665.27   78.774  1640.36  121.319  1683.43  103.580  160.473   5.9532  162.641   5.0150 -2.168228 7.783995 
1 1 1   -8   18    3 o  245.654   3.4664  3818.38  107.264  4005.29  163.965  3678.54  141.822  250.852   5.1470  240.456   4.6444 10.39574 6.932703 
1 1 1   -8   18    4 o  222.271   3.5327  3122.14   99.124  3340.45  150.320  2954.17  131.854  229.080   5.1672  215.463   4.8189 13.61690 7.065485 
1 1 1   -8   18    5 f  121.378   4.7042  930.321   72.104  1077.86  107.713  810.521   97.059  130.023   6.5233  112.733   6.7796 17.29050 9.408351 
1 1 1   -8   18    6 o  177.187   3.6973  1997.18   83.157  2059.25  119.786  1939.44  115.533  179.841   5.2450  174.533   5.2125 5.307419 7.394589 
1 1 1   -8   18    7 o  169.614   3.8218  1823.65   81.985  1923.26  122.739  1743.40  110.166  173.762   5.5622  165.467   5.2427 8.295059 7.643624 
1 1 1   -8   18    8 o  169.170   3.8363  1826.85   82.052  1777.02  120.951  1869.33  111.681  167.000   5.7031  171.339   5.1327 -4.339127 7.672682 
1 1 1   -8   18    9 o  221.478   5.3724  3124.64  151.105  3124.64  151.105   0.0000   0.0000  221.478   5.3724  ?   ?       ?      ? 
1 1 1   -8   18   10 o  298.149   5.5527  5664.47  210.241  5664.47  210.241   0.0000   0.0000  298.149   5.5527  ?   ?       ?      ? 
1 1 1   -8   18   11 o  312.307   5.6731  6217.42  224.997  6217.42  224.997   0.0000   0.0000  312.307   5.6731  ?   ?       ?      ? 
1 1 1   -8   18   12 o  284.702   3.7853  5173.82  136.567  5020.18  197.882  5313.56  188.715  280.620   5.5528  288.784   5.1458 -8.164459 7.570518 
1 1 1   -8   18   13 o  213.755   3.7556  2914.72  101.860  2800.32  144.870  3026.58  143.247  209.583   5.4431  217.928   5.1760 -8.344559 7.511199 
1 1 1   -8   18   14 o  139.391   4.8881  1237.89   85.758  1275.15  131.107  1210.02  113.376  141.160   7.3137  137.622   6.4872 3.538239 9.776153 
1 1 1   -8   18   15 o  258.062   3.5824  4243.24  117.084  4286.21  172.418  4206.46  159.498  259.237   5.2373  256.888   4.8892 2.349670 7.164732 
1 1 1   -8   18   16 o  150.423   4.4171  1450.77   84.056  1399.39  123.070  1495.69  115.079  147.866   6.5540  152.980   5.9236 -5.114029 8.834242 
1 1 1   -8   18   17 o  294.187   3.5532  5529.07  132.496  5452.82  192.623  5597.54  182.540  292.207   5.1909  296.166   4.8534 -3.958923 7.106365 
1 1 1   -8   18   18 o  122.041   6.3435  995.304   87.215  896.939  162.842  1034.87  103.276  117.079   10.952  127.003   6.4034 -9.924095 12.68691 
1 1 1   -8   18   19 o   94.024   7.7210  593.234   90.199  499.078  134.455  670.282  121.629   86.688   12.214  101.360   9.4492 -14.67187 15.44208 
1 1 1   -8   18   20 o   57.484   15.426  236.567  114.953  236.567  114.953   0.0000   0.0000   57.484   15.426  ?   ?       ?      ? 
1 1 1   -8   20    1 o  228.940   3.7314  3352.17  108.014  3192.89  157.972  3492.02  148.024  223.767   5.5591  234.113   4.9788 -10.34564 7.462744 
1 1 1   -8   20    2 o  181.604   4.3236  2126.86   98.597  1907.98  145.790  2311.35  133.849  172.820   6.6429  190.389   5.5360 -17.56895 8.647264 
1 1 1   -8   20    3 o  307.231   3.6771  6015.74  143.238  6021.76  208.567  6010.37  197.059  307.344   5.3437  307.118   5.0526 0.2264709 7.354179 
1 1 1   -8   20    4 o  163.633   4.5806  1717.14   94.781  1606.35  137.516  1817.39  130.815  158.531   6.8306  168.735   6.1048 -10.20393 9.161148 
1 1 1   -8   20    5 f  124.437   5.8581  1006.72   91.172  887.525  135.948  1104.15  122.909  117.521   9.1091  131.352   7.3684 -13.83030 11.71618 
1 1 1   -8   20    6 o   98.154   7.1414  623.694   88.258  598.826  132.199  643.691  118.546   96.273   10.813  100.035   9.3316 -3.761307 14.28282 
1 1 1   -8   20    7 f   35.504   10.464   16.448   78.517   52.831  117.919 -12.5317  105.239   39.002   15.639   32.005   13.908 6.997490 20.92854 
1 1 1   -8   20    8 o  141.074   5.2660  1293.96   92.930  1111.22  136.867  1450.26  126.581  131.563   8.1920  150.585   6.6193 -19.02269 10.53199 
1 1 1   -8   20    9 o  199.223   3.9268  2533.35   99.099  2542.32  145.503  2525.59  135.341  199.515   5.7428  198.932   5.3573 0.5824890 7.853662 
1 1 1   -8   20   10 o  129.628   5.3273  1091.06   86.428  987.901  129.923  1172.95  115.755  123.928   8.2554  135.329   6.7355 -11.40073 10.65452 
1 1 1   -8   20   11 o   44.783   11.046  119.578   79.595   67.848  117.158  163.921  108.471   39.992   15.732   49.574   15.510 -9.582115 22.09208 
1 1 1   -8   20   12 o   39.874   10.153   34.725   77.871  191.322  116.611 -91.3117  104.615   52.931   15.995   26.817   12.509 26.11425 20.30554 
1 1 1   -8   20   13 o  229.063   3.7603  3362.67  108.882  3287.23  160.883  3426.42  147.900  226.599   5.5908  231.527   5.0302 -4.928055 7.520669 
1 1 1   -8   20   14 o   36.178   10.383   44.131   73.791   57.171  113.275   34.518   97.258   38.168   15.320   34.187   14.019 3.981819 20.76628 
1 1 1   -8   20   15 o   43.661   11.550   96.898   93.697 -12.8753  143.424  178.628  123.756   36.447   16.027   50.875   16.635 -14.42851 23.09984 
1 1 1   -8   20   16 o   76.031   11.874  392.175  115.888  235.054  149.276  630.526  183.857   56.811   18.246   95.250   15.200 -38.43806 23.74757 
1 1 1   -8   20   17 o   35.425   11.129 -132.4357  116.621  102.186  159.965 -398.6027  170.380   45.057   18.163   25.793   12.865 19.26390 22.25757 
1 1 1   -8   22    1 o  185.387   4.3726  2194.17  102.119  2304.40  156.059  2111.64  135.045  189.330   6.4907  181.444   5.8608 7.885361 8.745198 
1 1 1   -8   22    2 o   52.710   11.462  187.167   82.952  225.993  131.760  161.674  106.766   56.665   16.975   48.754   15.407 7.910622 22.92456 
1 1 1   -8   22    3 o   66.007   10.607  311.945   86.385  264.602  133.509  346.038  113.297   60.965   16.736   71.049   13.037 -10.08490 21.21447 
1 1 1   -8   22    4 o  253.617   3.9250  4083.79  125.053  4385.71  194.114  3869.59  163.503  261.420   5.8471  245.813   5.2377 15.60672 7.849997 
1 1 1   -8   22    5 o  113.599   6.2335  832.134   88.048  879.089  141.081  802.177  112.688  115.945   9.5816  111.253   7.9760 4.691658 12.46693 
1 1 1   -8   22    6 o   52.400   11.587  191.078   84.372  193.866  134.930  189.287  108.116   52.878   17.374   51.922   15.336 0.9559593 23.17402 
1 1 1   -8   22    7 o  100.763   7.5569  673.668   95.981  651.078  143.175  692.107  129.350   98.948   11.394  102.577   9.9298 -3.628670 15.11381 
1 1 1   -8   22    8 o  181.286   6.7716  2124.12  155.895   0.0000   0.0000  2124.12  155.895  ?   ?   181.286   6.7716      ?      ? 
1 1 1   -8   22    9 o   23.308   11.663 -615.7307  107.390 -911.4464  159.784 -372.1026  145.031  ?   ?    23.308   11.663      ?      ? 
1 1 1   -8   22   10 o  280.018   6.4211  5071.20  228.335  5071.20  228.335   0.0000   0.0000  280.018   6.4211  ?   ?       ?      ? 
1 1 1   -8   22   11 o  165.231   7.0110  1793.27  145.076  1964.81  228.444  1677.33  187.809  171.296   10.502  159.166   9.2916 12.12981 14.02201 
1 1 1   -8   22   12 o  138.927   7.1558  1288.85  125.489  1493.14  183.236  1108.39  172.213  149.592   9.6455  128.262   10.573 21.33017 14.31155 
1 1 1   -8   22   13 o  175.168   5.9696  2031.45  132.418  2047.67  194.942  2017.56  180.434  175.552   8.7442  174.784   8.1291 0.7683868 11.93914 
1 1 1   -8   22   14 o   54.779   12.394  199.072   99.901  383.263  168.409   99.065  124.093   68.559   18.786   40.999   16.171 27.56012 24.78776 
1 1 1   -8   24    1 o   36.503   11.137   24.292   90.194   82.426  152.366  -7.0670  111.908   41.460   17.324   31.546   14.001 9.914484 22.27424 
1 1 1   -8   24    2 o   95.580   8.2458  650.581   95.203  576.855  154.377  695.826  120.937   89.614   13.565  101.546   9.3782 -11.93211 16.49150 
1 1 1   -8   24    3 o   72.516   11.129  405.337   97.299  393.203  157.646  412.804  123.663   69.914   17.730   75.119   13.457 -5.205383 22.25885 
1 1 1   -8   24    4 o   47.247   12.076  166.132   91.123  161.948  152.584  168.451  113.607   47.305   18.134   47.189   15.952 0.1154633 24.15180 
1 1 1   -8   24    5 o  114.698   6.9747  886.299   97.902  939.285  163.127  856.469  122.396  116.343   11.041  113.052   8.5253 3.290771 13.94934 
1 1 1   -8   24    6 o  104.340   7.3769  757.866   94.842  714.743  150.386  786.344  122.209  100.736   11.756  107.944   8.9151 -7.208229 14.75381 
1 1 1   -7    1    1 o  1102.76   17.303 77404.87  2423.19   0.0000   0.0000 77404.87  2423.19  ?   ?   1102.76   17.303      ?      ? 
1 1 1   -7    1    2 o  1281.66   20.028 104648.40  3259.78 104648.40  3259.78   0.0000   0.0000  1281.66   20.028  ?   ?       ?      ? 
1 1 1   -7    1    3 o  654.182   5.3052 27185.82  440.728 27088.32  620.982 27284.77  625.610  653.001   7.4884  655.363   7.5170 -2.362366 10.61042 
1 1 1   -7    1    4 o  727.351   5.8519 33562.70  539.942 32602.52  742.923 34637.70  786.089  716.346   8.1666  738.355   8.3836 -22.00842 11.70377 
1 1 1   -7    1    5 o  800.757   6.4038 40629.47  649.790 42455.63  957.863 39072.65  884.410  817.365   9.2280  784.148   8.8813 33.21710 12.80761 
1 1 1   -7    1    6 o  132.452   2.9952  1115.49   50.320  1154.81   70.326  1074.24   72.031  134.847   4.1067  130.057   4.3612 4.790192 5.990475 
1 1 1   -7    1    7 o  294.840   3.1421  5507.79  117.500  5873.66  170.844  5179.39  161.860  304.109   4.4238  285.570   4.4632 18.53845 6.284127 
1 1 1   -7    1    8 f  366.285   3.9308  8532.73  159.839  8543.69  185.524  8501.15  314.851  366.778   3.9831  365.792   6.7779 0.9863281 7.861577 
1 1 1   -7    1    9 o  544.299   5.2660 19058.83  321.379 19330.55  376.321 18326.69  617.718  551.652   5.3718  536.946   9.0590 14.70508 10.53194 
1 1 1   -7    1   10 o  580.626   5.5842 21579.71  361.661 21753.41  421.584 21095.65  703.785  585.195   5.6729  576.058   9.6205 9.137329 11.16850 
1 1 1   -7    1   11 o  701.763   6.5457 31862.45  519.688 32567.64  613.022 30060.96  979.805  715.981   6.7421  687.545   11.222 28.43597 13.09138 
1 1 1   -7    1   12 o  1124.25   8.8358 80388.77  1261.39 80977.17  1797.86 79818.34  1770.21  1128.29   12.547  1120.20   12.444 8.086060 17.67160 
1 1 1   -7    1   13 o  212.402   2.9703  2868.57   79.727  2829.66  118.345  2900.90  107.881  211.080   4.4149  213.725   3.9748 -2.644882 5.940596 
1 1 1   -7    1   14 o  529.548   4.5455 17798.46  305.548 17257.61  424.806 18378.19  439.805  521.221   6.4179  537.876   6.4387 -16.65515 9.091009 
1 1 1   -7    1   15 o  200.824   3.2680  2555.01   82.769  2613.82  125.231  2509.40  110.292  202.869   4.8609  198.779   4.3691 4.089401 6.535909 
1 1 1   -7    1   17 o  348.361   5.4448  7929.90  224.016  8355.51  274.960  7089.67  386.331  362.697   5.9696  334.025   9.1076 28.67203 10.88967 
1 1 1   -7    1   18 o  676.744   11.057 29114.16  950.258   0.0000   0.0000 29114.16  950.258  ?   ?   676.744   11.057      ?      ? 
1 1 1   -7    1   19 o  717.227   5.9777 32689.37  544.416 32641.19  774.970 32736.31  764.967  716.702   8.5147  717.753   8.3925 -1.051514 11.95548 
1 1 1   -7    1   20 f  227.971   3.8113  3295.69  109.908  3364.36  163.553  3239.14  148.413  230.129   5.5964  225.814   5.1754 4.315445 7.622636 
1 1 1   -7    1   21 o  244.322   3.9368  3796.00  121.577  3769.19  180.558  3818.24  164.441  243.521   5.8385  245.122   5.2826 -1.601227 7.873672 
1 1 1   -7    1   22 o  255.083   4.0025  4135.93  129.192  4154.53  191.137  4120.29  175.299  255.596   5.8886  254.570   5.4224 1.025726 8.004906 
1 1 1   -7    1   23 o  420.255   4.2923 11225.67  228.691 11400.31  334.378 11072.20  313.468  423.303   6.2203  417.207   5.9165 6.096344 8.584671 
1 1 1   -7    1   24 o  251.775   4.1140  4031.16  130.983  4056.15  194.654  4010.49  177.069  252.465   6.0714  251.085   5.5532 1.379715 8.227962 
1 1 1   -7    1   25 o  165.679   5.0072  1737.66  105.007  1915.63  155.976  1590.14  142.008  173.387   7.0838  157.972   7.0788 15.41534 10.01441 
1 1 1   -7    1   26 o  184.462   4.9367  2172.97  114.728  2139.66  172.782  2199.24  153.434  183.147   7.4289  185.779   6.5035 -2.631866 9.873407 
1 1 1   -7    1   27 o   47.495   12.655  107.455  105.942   54.630  154.135  154.759  145.857   43.642   17.744   51.347   18.047 -7.705250 25.30931 
1 1 1   -7    1   28 o   28.228   9.6737 -277.0113  108.550 -150.1545  155.498 -397.5937  151.603   32.253   15.111   24.202   12.082 8.051308 19.34748 
1 1 1   -7    1   29 o  128.517   7.9318  1066.36  129.452  1068.29  183.043  1064.43  183.101  128.635   11.205  128.398   11.229 0.2372437 15.86356 
1 1 1   -7    1   30 o   66.804   13.211  309.123  117.296  264.371  169.205  350.524  162.747   62.471   19.343   71.136   18.001 -8.665592 26.42286 
1 1 1   -7    1   31 o   46.473   12.874   80.840  117.378 -32.1707  173.849  175.516  159.122   39.758   17.557   53.188   18.834 -13.42991 25.74833 
1 1 1   -7    1   32 o   81.320   11.977  470.043  119.362  443.702  175.384  492.770  162.911   78.665   17.952   83.974   15.858 -5.309273 23.95311 
1 1 1   -7    1   33 o   21.920   11.083 -576.1618  104.952 -481.0001  150.303 -666.7101  146.615   21.920   11.083  ?   ?       ?      ? 
1 1 1   -7    1   34 o   36.237   11.462 -23.7210  108.115 -56.9189  146.646   15.810  160.022   33.569   15.353   38.906   17.023 -5.336987 22.92359 
1 1 1   -7    1   35 o   68.569   12.631  380.496  110.970  384.624  151.595  375.730  162.882   69.497   17.256   67.642   18.451 1.855042 25.26268 
1 1 1   -7    3    1 f  386.016   4.8938  9463.57  239.898  9463.57  239.898   0.0000   0.0000  386.016   4.8938  ?   ?       ?      ? 
1 1 1   -7    3    2 f  655.643   6.5100 27386.05  513.710 27535.10  633.474 27099.75  877.947  658.340   7.5771  652.945   10.588 5.395630 13.01990 
1 1 1   -7    3    3 o  688.217   6.4322 29866.62  482.659 29648.63  554.013 30553.12  983.174  683.189   6.3856  693.244   11.168 -10.05524 12.86448 
1 1 1   -7    3    4 o  190.545   3.0497  2267.73   72.003  2142.85   91.168  2474.77  117.388  183.691   3.9082  197.399   4.6827 -13.70799 6.099360 
1 1 1   -7    3    5 o  432.538   4.3958 11212.38  198.943 10738.72  222.637 13089.11  443.166  411.204   4.2635  453.872   7.6887 -42.66837 8.791694 
1 1 1   -7    3    6 o  168.507   2.7894  1781.53   54.501  1750.89   64.690  1856.48  101.167  166.046   3.0678  170.967   4.6596 -4.920502 5.578858 
1 1 1   -7    3    7 o  546.772   6.4189 18993.16  445.703 18993.16  445.703   0.0000   0.0000  546.772   6.4189  ?   ?       ?      ? 
1 1 1   -7    3    8 o  167.278   3.4948  1777.04   74.241  1777.04   74.241   0.0000   0.0000  167.278   3.4948  ?   ?       ?      ? 
1 1 1   -7    3    9 o  393.901   3.5218  9852.22  176.145  9668.02  246.651 10043.95  251.636  390.145   4.9783  397.657   4.9829 -7.512695 7.043649 
1 1 1   -7    3   10 o  483.442   4.1283 14839.98  253.391 14556.86  353.751 15138.32  363.130  478.709   5.8190  488.175   5.8575 -9.465912 8.256548 
1 1 1   -7    3   11 o  591.032   4.8842 22190.50  366.572 21954.66  515.536 22431.68  521.335  587.856   6.9057  594.208   6.9088 -6.351868 9.768331 
1 1 1   -7    3   12 o  334.021   4.1034  7162.69  161.140  6884.81  286.015  7291.91  195.041  329.199   6.8415  338.842   4.5326 -9.642609 8.206758 
1 1 1   -7    3   13 o  295.156   3.8716  5509.86  140.844  5437.53  178.242  5630.09  229.811  292.599   4.7969  297.712   6.0785 -5.113342 7.743273 
1 1 1   -7    3   14 f  270.872   3.8584  4663.92  130.112  4679.03  168.294  4641.47  205.141  271.426   4.8825  270.318   5.9758 1.107727 7.716813 
1 1 1   -7    3   15 o  732.863   6.8668 33813.45  546.343 34746.76  1121.18 33522.82  625.652  739.275   11.942  726.452   6.7818 12.82263 13.73367 
1 1 1   -7    3   16 o  407.035   4.6788 10252.32  222.264 11209.88  412.343  9860.16  263.881  420.056   7.7299  394.015   5.2737 26.04099 9.357545 
1 1 1   -7    3   17 o  224.340   4.4310  3260.30  119.821  2987.34  199.870  3413.44  149.706  216.850   7.2579  231.830   5.0850 -14.97943 8.861957 
1 1 1   -7    3   18 o  398.248   4.6036  9852.25  211.987 10611.26  398.400  9552.49  250.373  408.678   7.6765  387.818   5.0837 20.85956 9.207192 
1 1 1   -7    3   19 o  417.362   4.1412 11086.56  218.276 10849.58  324.393 11282.63  295.066  413.268   6.1810  421.455   5.5130 -8.186676 8.282433 
1 1 1   -7    3   20 o  389.957   4.0564  9677.57  199.300  9534.55  300.153  9790.36  266.539  387.359   6.1017  392.555   5.3466 -5.196136 8.112793 
1 1 1   -7    3   21 o  158.697   4.6304  1587.52   88.444  1645.31  152.849  1558.43  108.442  160.812   7.4846  156.581   5.4536 4.230698 9.260701 
1 1 1   -7    3   22 o  233.272   3.9058  3431.45  112.682  3584.18  183.097  3338.33  142.960  237.380   6.0738  229.163   4.9124 8.217194 7.811690 
1 1 1   -7    3   23 o  156.287   4.7032  1511.90   91.100  1747.48  149.647  1373.19  114.830  165.667   7.1130  146.908   6.1551 18.75917 9.406380 
1 1 1   -7    3   24 f  115.716   6.1647  819.139   88.195  1012.31  146.713  709.837  110.361  125.928   9.1743  105.504   8.2370 20.42358 12.32945 
1 1 1   -7    3   25 o  206.948   4.4708  2709.04  115.871  2835.42  181.220  2621.64  150.701  210.959   6.7644  202.937   5.8476 8.021683 8.941559 
1 1 1   -7    3   26 o  119.439   6.7750  904.698  101.167  960.361  159.575  867.290  130.816  122.411   10.265  116.467   8.8446 5.943413 13.54998 
1 1 1   -7    3   27 o   42.536   12.118   50.908   99.392   96.141  156.995   20.651  128.400   47.093   18.302   37.980   15.889 9.113056 24.23669 
1 1 1   -7    3   28 o  347.049   5.9731  7680.60  263.252   0.0000   0.0000  7680.60  263.252  ?   ?   347.049   5.9731      ?      ? 
1 1 1   -7    3   29 o  153.738   6.2877  1547.17  119.643  1357.41  184.280  1685.44  157.305  145.208   9.9933  162.268   7.6337 -17.05994 12.57535 
1 1 1   -7    3   30 o   72.293   12.650  341.104  116.222  507.869  185.674  233.669  149.029   85.783   17.633   58.804   18.144 26.97882 25.30098 
1 1 1   -7    3   31 o   37.784   11.731 -28.6666  110.646 -126.9506  176.132   35.405  142.210   35.449   16.431   40.120   16.748 -4.671074 23.46241 
1 1 1   -7    3   32 o  156.807   6.1475  1626.13  119.708  1433.62  182.615  1771.17  158.517  148.076   9.7112  165.539   7.5405 -17.46307 12.29499 
1 1 1   -7    3   33 o  178.942   5.4840  2119.70  121.918  1888.28  186.411  2292.69  161.167  169.713   8.6493  188.170   6.7445 -18.45671 10.96803 
1 1 1   -7    3   34 o   82.646   10.728  498.322  109.979  462.364  156.615  533.304  154.475   78.499   16.246   86.793   14.015 -8.294464 21.45594 
1 1 1   -7    3   35 o   37.804   11.716   13.342  110.554 -68.2853  153.598  101.083  159.248   32.863   15.271   42.746   17.773 -9.883213 23.43278 
1 1 1   -7    5    1 o  460.837   3.9335 13467.41  229.949 13964.11  334.890 13024.32  316.299  468.861   5.6245  452.813   5.5005 16.04791 7.867007 
1 1 1   -7    5    2 o  395.836   3.4982  9895.01  175.201  9317.15  235.737 10608.04  261.860  383.002   4.8467  408.669   5.0457 -25.66684 6.996397 
1 1 1   -7    5    3 o  138.350   2.3903  1173.44   40.815  843.267   52.975  1655.69   64.023  115.231   3.6201  161.469   3.1223 -46.23719 4.780573 
1 1 1   -7    5    4 o  464.749   3.9668 13681.51  233.661 13131.20  318.540 14322.55  343.798  454.664   5.5169  474.834   5.7014 -20.17075 7.933635 
1 1 1   -7    5    5 o  224.938   2.5593  3183.11   72.764  2853.50   97.661  3594.41  109.092  211.971   3.6280  237.904   3.6109 -25.93326 5.118680 
1 1 1   -7    5    6 o  107.312   2.5384  731.321   34.570  730.710   48.019  731.978   49.810  107.266   3.5251  107.359   3.6534 -0.9234619E-01 5.076777 
1 1 1   -7    5    7 o  246.683   2.6610  3853.33   83.239  3622.42  114.249  4114.58  121.523  238.829   3.7670  254.536   3.7595 -15.70758 5.322009 
1 1 1   -7    5    8 o  355.320   3.2671  8014.82  147.371  8157.27  211.785  7881.10  205.198  358.378   4.6535  352.261   4.5870 6.117493 6.534184 
1 1 1   -7    5    9 o  649.101   5.2818 26769.71  435.383 26668.19  614.288 26872.18  617.170  647.864   7.4664  650.337   7.4729 -2.472778 10.56367 
1 1 1   -7    5   10 o  552.345   4.5990 19377.46  322.553 19154.65  452.097 19608.47  460.333  549.112   6.4832  555.577   6.5245 -6.465149 9.197938 
1 1 1   -7    5   11 o  337.294   3.2125  7216.30  137.518  6931.03  190.619  7525.92  198.586  330.351   4.5437  344.236   4.5427 -13.88507 6.425075 
1 1 1   -7    5   12 o   92.676   4.1756  537.269   47.623  578.405   78.893  513.687   59.733   95.421   6.5105   89.932   5.2303 5.489517 8.351185 
1 1 1   -7    5   13 o  819.024   6.5534 42621.01  681.535 42108.73  954.987 43152.74  972.936  814.012   9.2382  824.037   9.2974 -10.02472 13.10672 
1 1 1   -7    5   14 o  959.267   7.6045 58467.13  926.096 59305.37  1329.61 57677.28  1290.66  965.935   10.839  952.599   10.669 13.33569 15.20907 
1 1 1   -7    5   15 o  1056.07   8.3443 70902.64  1118.99 71258.70  1594.24 70556.89  1571.01  1058.68   11.858  1053.47   11.743 5.213135 16.68864 
1 1 1   -7    5   16 o  408.184   5.4233 10582.30  281.122   0.0000   0.0000 10582.30  281.122  ?   ?   408.184   5.4233      ?      ? 
1 1 1   -7    5   17 o  238.346   3.8414  3654.33  112.342  3421.40  181.130  3799.96  143.217  232.084   6.1457  244.607   4.6105 -12.52298 7.682825 
1 1 1   -7    5   18 o  245.906   3.9649  3755.29   99.190  3985.12  224.610  3699.61  110.555  250.449   7.0621  241.363   3.6069 9.085861 7.929839 
1 1 1   -7    5   19 o  107.944   6.0464  720.957   61.161  770.642  154.143  711.673   66.631  110.044   11.030  105.844   4.9571 4.199699 12.09277 
1 1 1   -7    5   20 o  188.720   4.2475  2329.48   80.064  2158.74  179.497  2371.89   89.456  184.208   7.6731  193.232   3.6455 -9.023880 8.495050 
1 1 1   -7    5   21 o   85.271   7.2318  421.933   59.304  530.646  150.022  401.800   64.562   91.069   12.972   79.474   6.3970 11.59454 14.46358 
1 1 1   -7    5   22 o  342.699   4.3926  7400.21  177.927  7668.55  318.612  7278.60  214.488  347.047   7.2293  338.350   4.9918 8.696899 8.785264 
1 1 1   -7    5   23 o  210.852   4.2017  2773.58   90.478  2922.94  203.408  2736.74  101.022  214.189   7.4781  207.514   3.8335 6.674179 8.403443 
1 1 1   -7    5   24 o   49.629   11.132  150.979   66.395  141.229  158.849  153.042   73.085   51.334   18.736   47.924   12.028 3.410461 22.26412 
1 1 1   -7    5   25 f  212.765   4.3402  2814.50   94.251  3000.33  212.602  2769.04  105.148  216.837   7.7207  208.692   3.9675 8.145172 8.680442 
1 1 1   -7    5   26 o   59.179   11.540  207.230   85.751  332.327  154.380  151.413  103.121   69.948   17.440   48.409   15.119 21.53864 23.08084 
1 1 1   -7    5   27 o  109.524   7.3612  795.067   97.567  682.369  157.758  864.874  124.160  102.810   12.083  116.239   8.4111 -13.42872 14.72237 
1 1 1   -7    5   28 o  100.373   8.7843  655.471  108.455  641.147  175.632  664.299  137.885   99.224   13.938  101.522   10.695 -2.298073 17.56869 
1 1 1   -7    5   29 o  200.684   5.2160  2559.82  127.926  2648.24  213.612  2510.37  159.740  203.149   8.2800  198.220   6.3458 4.929398 10.43209 
1 1 1   -7    5   30 o  126.890   12.661  1054.75  204.028  1054.75  204.028   0.0000   0.0000  126.890   12.661  ?   ?       ?      ? 
1 1 1   -7    5   31 o   72.496   12.318  390.530  111.810  279.898  193.782  445.743  136.896   63.096   20.825   81.897   13.163 -18.80084 24.63626 
1 1 1   -7    5   32 o   58.254   12.135  235.767   95.915  316.004  149.581  179.740  124.995   65.638   17.589   50.870   16.722 14.76780 24.26945 
1 1 1   -7    5   33 o   95.852   9.7433  670.161  107.560  413.872  153.685  916.224  150.587   74.564   16.651  117.141   10.123 -42.57643 19.48659 
1 1 1   -7    5   34 o   39.272   16.614   57.951  142.905   57.951  142.905   0.0000   0.0000   39.272   16.614  ?   ?       ?      ? 
1 1 1   -7    7    1 o  445.057   3.8451 12554.25  217.014 13081.47  317.408 12091.47  297.380  453.810   5.5076  436.305   5.3672 17.50586 7.690286 
1 1 1   -7    7    2 o  686.177   5.5470 29903.72  483.185 30447.33  694.910 29394.90  672.305  692.207   7.9052  680.147   7.7837 12.06067 11.09408 
1 1 1   -7    7    3 o  325.836   3.0926  6742.88  127.965  6746.16  181.431  6739.65  180.513  325.915   4.3836  325.758   4.3635 0.1568909 6.185147 
1 1 1   -7    7    4 o  362.819   3.3155  8335.76  152.482  8766.00  224.120  7964.96  208.059  371.509   4.7504  354.130   4.6264 17.37842 6.631032 
1 1 1   -7    7    5 o  397.450   3.5429 10024.35  178.727  9768.86  247.866 10301.04  257.953  392.181   4.9768  402.720   5.0438 -10.53925 7.085822 
1 1 1   -7    7    6 o  415.378   3.6574 10941.12  192.722 11331.68  280.583 10592.30  265.169  422.382   5.2309  408.373   5.1132 14.00949 7.314844 
1 1 1   -7    7    7 o  464.970   3.9934 13722.42  235.694 13406.48  327.321 14062.65  339.666  459.417   5.6103  470.523   5.6845 -11.10635 7.986843 
1 1 1   -7    7    8 o  637.042   5.2000 25706.82  419.790 24666.91  571.552 26924.90  618.579  623.101   7.2230  650.982   7.4825 -27.88110 10.40001 
1 1 1   -7    7    9 o  630.032   5.1550 25187.52  412.066 25911.65  598.609 24535.35  568.086  638.624   7.3811  621.441   7.1984 17.18268 10.31008 
1 1 1   -7    7   10 o  534.009   5.5354 18008.13  350.283 18424.49  622.431 17815.14  423.756  538.439   9.1028  529.579   6.3010 8.859619 11.07086 
1 1 1   -7    7   11 o  938.177   7.4296 55864.04  884.172 54288.95  1216.02 57630.82  1287.89  924.180   10.361  952.173   10.651 -27.99219 14.85913 
1 1 1   -7    7   12 o  388.600   3.5926  9573.40  177.131  9137.50  244.486 10055.00  256.984  379.306   5.0756  397.894   5.0858 -18.58749 7.185207 
1 1 1   -7    7   13 o  591.403   4.9498 22216.81  371.710 22316.70  530.000 22120.11  521.458  592.710   7.0414  590.097   6.9585 2.613159 9.899601 
1 1 1   -7    7   14 o  606.497   5.0954 23326.99  391.868 24074.57  573.189 22670.95  536.954  615.599   7.3320  597.394   7.0778 18.20508 10.19085 
1 1 1   -7    7   15 o  626.964   5.2240 24942.44  415.451 25564.34  604.999 24387.49  571.502  634.345   7.5102  619.583   7.2634 14.76221 10.44798 
1 1 1   -7    7   16 o   57.538   9.1605  260.865   65.566   77.983  122.585  334.147   77.598   42.561   16.268   72.515   8.4264 -29.95470 18.32106 
1 1 1   -7    7   17 o  273.218   3.5028  4665.93  117.558  5032.58  195.729  4459.04  147.032  281.470   5.4758  264.966   4.3696 16.50439 7.005547 
1 1 1   -7    7   18 o  121.435   5.0088  926.510   71.532  966.260  129.492  909.053   85.814  123.262   8.2725  119.608   5.6497 3.654022 10.01760 
1 1 1   -7    7   19 o  132.878   4.9507  1126.59   76.638  1114.52  139.275  1131.83   91.784  132.317   8.2886  133.438   5.4164 -1.120941 9.901367 
1 1 1   -7    7   20 o  281.170   3.9776  4932.54  113.154  5184.98  257.458  4872.11  125.973  285.421   7.1030  276.920   3.5822 8.500885 7.955187 
1 1 1   -7    7   21 o  183.380   4.3083  2262.10   77.926  1946.69  174.040  2341.19   87.149  174.807   7.8399  191.953   3.5751 -17.14575 8.616590 
1 1 1   -7    7   22 o  208.854   4.0741  2931.36   87.725  2509.09  184.451  3054.80   99.727  198.456   7.3188  219.252   3.5817 -20.79684 8.148225 
1 1 1   -7    7   23 o  270.213   4.0255  4706.12  113.284  4543.29  242.637  4751.50  128.104  267.005   7.1558  273.420   3.6894 -6.415100 8.050916 
1 1 1   -7    7   24 o  281.032   3.7952  5020.92  135.449   0.0000   0.0000  5020.92  135.449  ?   ?   281.032   3.7952      ?      ? 
1 1 1   -7    7   25 o  162.516   5.2354  1687.26   94.601  1683.91  185.816  1688.44  109.912  162.193   9.0214  162.839   5.3151 -0.6461029 10.47073 
1 1 1   -7    7   26 o   23.912   8.4640 -228.8734   67.428 -126.8005  148.071 -255.5775   75.736   32.206   14.975   15.617   7.8930 16.58899 16.92806 
1 1 1   -7    7   27 o  107.518   8.3292  843.805   85.294  601.101  187.524  907.113   95.774   95.822   15.410  119.213   6.3262 -23.39103 16.65836 
1 1 1   -7    7   28 o   86.721   9.7240  437.564   81.826  604.708  199.108  403.599   89.756   94.190   17.283   79.253   8.9181 14.93710 19.44805 
1 1 1   -7    7   29 o  100.753   8.9991  599.101   87.025  770.850  220.603  567.447   94.706  107.535   16.154   93.971   7.9361 13.56443 17.99827 
1 1 1   -7    7   30 o   92.222   9.8648  584.451   97.292  551.028  188.551  596.580  113.581   88.567   17.385   95.877   9.3285 -7.310570 19.72952 
1 1 1   -7    7   31 o   24.419   8.6535 -356.7762  103.761 -421.4945  181.074 -325.1346  126.611   26.872   13.381   21.965   10.977 4.906448 17.30701 
1 1 1   -7    7   32 o   27.023   13.512 -465.6165  192.984 -465.6165  192.984   0.0000   0.0000   27.023   13.512  ?   ?       ?      ? 
1 1 1   -7    7   33 o   49.492   19.000  171.600  167.669  171.600  167.669   0.0000   0.0000   49.492   19.000  ?   ?       ?      ? 
1 1 1   -7    7   34 o   34.807   15.551   1.3571  140.468   1.3571  140.468   0.0000   0.0000   34.807   15.551  ?   ?       ?      ? 
1 1 1   -7    9    1 f  110.614   2.9094  777.105   40.861  773.908   58.308  780.190   57.279  110.390   4.1593  110.838   4.0694 -0.4475784 5.818888 
1 1 1   -7    9    2 o  525.015   4.4054 17508.76  293.712 17397.62  413.655 17621.77  417.109  523.334   6.2242  526.695   6.2361 -3.360107 8.810742 
1 1 1   -7    9    3 o  621.607   5.0945 24434.78  400.800 25887.30  597.329 23245.28  540.547  638.324   7.3688  604.890   7.0369 33.43390 10.18903 
1 1 1   -7    9    4 o  252.029   3.3936  3994.32  102.506  3916.29  125.086  4153.85  178.861  248.329   3.9665  255.730   5.5075 -7.400711 6.787182 
1 1 1   -7    9    5 o  637.312   5.2126 25803.97  421.867 25910.19  599.242 25699.60  594.013  638.612   7.3890  636.013   7.3545 2.598938 10.42527 
1 1 1   -7    9    6 o  326.345   3.1784  6763.65  131.715  6776.36  187.446  6751.25  185.122  326.647   4.5188  326.042   4.4710 0.6051025 6.356833 
1 1 1   -7    9    7 o  1106.33   8.6958 77743.59  1220.64 75849.75  1684.18 79839.19  1771.63  1092.17   12.143  1120.49   12.451 -28.31311 17.39150 
1 1 1   -7    9    8 o  132.426   3.1363  1114.10   52.464  1109.90   78.250  1117.54   70.713  132.198   4.6610  132.655   4.1976 -0.4567871 6.272518 
1 1 1   -7    9    9 o  238.527   2.9803  3612.34   90.240  3641.43  129.694  3585.04  125.639  239.457   4.2650  237.597   4.1640 1.860291 5.960583 
1 1 1   -7    9   10 o  308.578   3.2962  6014.13  128.656  6408.97  192.637  5696.21  172.860  317.669   4.7752  299.487   4.5451 18.18192 6.592400 
1 1 1   -7    9   11 o  368.690   3.6173  8633.55  169.340  8441.87  239.032  8826.69  239.936  364.581   5.1628  372.799   5.0681 -8.218658 7.234625 
1 1 1   -7    9   12 o  265.801   3.2689  4486.19  110.319  4522.92  157.797  4451.07  154.290  266.864   4.6562  264.737   4.5893 2.127411 6.537724 
1 1 1   -7    9   13 f  629.448   5.2123 25168.02  416.590 25348.38  595.004 24994.59  583.461  631.658   7.4175  627.239   7.3249 4.419373 10.42468 
1 1 1   -7    9   14 o  321.050   3.4164  6553.93  139.114  6218.10  197.715  6883.20  195.773  312.893   4.9758  329.207   4.6828 -16.31393 6.832838 
1 1 1   -7    9   15 o  129.313   4.1793  1066.60   66.334  1045.33  108.234  1079.40   83.948  128.267   6.6446  130.358   5.0711 -2.090302 8.358625 
1 1 1   -7    9   16 o  344.128   3.5054  7517.55  152.766  7604.49  225.158  7443.40  207.954  345.963   5.1248  342.293   4.7840 3.670776 7.010739 
1 1 1   -7    9   17 o  342.677   3.4984  7451.61  151.494  7571.23  226.535  7354.83  203.760  345.147   5.1684  340.206   4.7163 4.941498 6.996796 
1 1 1   -7    9   18 o  166.104   3.8232  1743.62   76.356  1787.04  131.896  1721.73   93.644  167.615   6.1964  164.592   4.4802 3.022873 7.646380 
1 1 1   -7    9   19 o  208.870   3.5151  2725.76   88.677  2926.64  153.344  2624.83  108.695  214.514   5.6290  203.226   4.2117 11.28862 7.030224 
1 1 1   -7    9   20 o  117.805   5.3127  899.096   69.680  852.770  134.857  915.968   81.386  115.604   9.1859  120.007   5.3403 -4.402168 10.62540 
1 1 1   -7    9   21 o  196.618   3.6561  2426.01   74.628  2516.70  163.479  2402.13   83.878  198.808   6.4751  194.427   3.3971 4.380875 7.312193 
1 1 1   -7    9   22 o  180.225   4.4548  1988.28   71.998  2184.32  192.654  1956.45   77.622  184.998   8.2004  175.452   3.4838 9.546021 8.909696 
1 1 1   -7    9   23 o   45.563   9.8430  146.670   52.018   17.851  156.871  162.584   55.137   41.469   17.468   49.657   9.0781 -8.187206 19.68606 
1 1 1   -7    9   24 o   76.273   8.5960  366.892   58.233  403.573  150.697  360.453   63.138   77.375   15.869   75.172   6.6139 2.203384 17.19209 
1 1 1   -7    9   25 o   35.376   16.488 -569.4229   82.240 -158.2811  181.182 -676.1130   92.296   35.376   16.488  ?   ?       ?      ? 
1 1 1   -7    9   26 o  193.493   5.5536  2640.19  111.276  1970.36  222.895  2862.55  128.425  174.982   10.031  212.003   4.7701 -37.02119 11.10713 
1 1 1   -7    9   27 o  127.559   6.0451  989.699   70.544  1127.30  185.410  966.407   76.282  131.980   11.062  123.139   4.8781 8.840927 12.09013 
1 1 1   -7    9   28 o   92.037   11.078  772.811   71.926  345.621  209.853  829.674   76.563   70.081   21.515  113.994   5.2889 -43.91306 22.15572 
1 1 1   -7    9   29 o   76.949   11.322  454.090   73.472  337.702  207.454  470.781   78.564   68.380   21.458   85.518   7.2341 -17.13816 22.64483 
1 1 1   -7    9   30 o   32.971   10.039   19.625   68.485 -211.1873  183.076   57.179   73.846   32.563   15.585   33.378   12.658 -0.8145218 20.07770 
1 1 1   -7    9   31 o   74.363   16.451  458.760  172.661  446.219  245.601  471.016  242.783   73.312   23.389   75.413   23.140 -2.101257 32.90132 
1 1 1   -7   11    1 o  747.925   6.0487 35532.82  574.404 35067.34  802.812 36021.06  822.196  742.910   8.5094  752.940   8.5988 -10.02936 12.09750 
1 1 1   -7   11    2 o  433.312   3.8950 11854.36  213.510 12722.74  319.504 11153.66  287.003  447.563   5.6214  419.061   5.3930 28.50183 7.790026 
1 1 1   -7   11    3 o  270.694   4.3979  4653.54  151.182   0.0000   0.0000  4653.54  151.182  ?   ?   270.694   4.3979      ?      ? 
1 1 1   -7   11    4 o  724.468   7.1933 33291.69  623.072 33162.23  761.344 33554.23  1084.22  722.455   8.2984  726.481   11.752 -4.026428 14.38664 
1 1 1   -7   11    5 o  688.750   7.9541 30138.18  695.710   0.0000   0.0000 30138.18  695.710  ?   ?   688.750   7.9541      ?      ? 
1 1 1   -7   11    6 f  641.416   5.3061 26135.41  432.197 25962.49  608.554 26311.39  613.920  639.276   7.4961  643.557   7.5119 -4.280457 10.61221 
1 1 1   -7   11    7 o  252.133   3.2851  4019.21  104.947  4360.75  154.469  3726.40  143.027  262.037   4.6419  242.229   4.6496 19.80763 6.570109 
1 1 1   -7   11    8 o  615.651   5.1153 24073.60  399.877 23774.94  559.958 24384.41  571.234  611.756   7.2077  619.545   7.2604 -7.789307 10.23061 
1 1 1   -7   11    9 o  491.299   4.2733 15319.75  266.490 14939.67  370.024 15729.34  384.118  484.974   6.0081  497.625   6.0783 -12.65002 8.546518 
1 1 1   -7   11   10 o  337.491   3.4190  7224.59  146.393  7440.25  212.751  7030.66  201.749  342.267   4.8947  332.715   4.7749 9.552368 6.837979 
1 1 1   -7   11   11 o  481.009   4.2117 14695.06  257.250 14490.37  361.218 14905.73  366.449  477.611   5.9555  484.408   5.9570 -6.796936 8.423385 
1 1 1   -7   11   12 o  444.566   3.9864 12555.35  225.050 12430.64  317.840 12680.73  318.699  442.352   5.6580  446.781   5.6171 -4.429138 7.972723 
1 1 1   -7   11   13 o  483.365   4.2253 14846.71  259.358 14717.25  365.810 14977.55  367.774  481.246   5.9856  485.484   5.9652 -4.238434 8.450567 
1 1 1   -7   11   14 o  100.270   4.4921  634.763   56.490  666.660   87.949  612.361   73.704  102.390   6.7639   98.149   5.9133 4.241379 8.984226 
1 1 1   -7   11   15 o  259.670   3.2279  4287.06  106.126  4261.72  155.994  4308.89  144.801  258.947   4.7437  260.394   4.3789 -1.447601 6.455793 
1 1 1   -7   11   16 o  287.982   3.2598  5277.01  118.960  5177.16  173.084  5366.40  163.771  285.386   4.7758  290.577   4.4381 -5.190918 6.519576 
1 1 1   -7   11   17 o  398.523   3.7601 10101.55  190.257  9977.55  270.652 10222.69  267.505  396.097   5.3806  400.948   5.2537 -4.850739 7.520128 
1 1 1   -7   11   18 o  101.005   4.8613  596.313   59.589  855.101  104.719  472.395   72.464  115.871   7.1167   86.140   6.6243 29.73051 9.722572 
1 1 1   -7   11   19 o  306.108   3.4072  5952.11  131.533  6017.31  198.521  5901.08  175.610  307.573   5.0825  304.642   4.5392 2.931183 6.814439 
1 1 1   -7   11   20 o  129.753   4.7361  1086.28   70.396  1040.90  130.537  1104.89   83.593  127.719   8.0482  131.786   4.9949 -4.067101 9.472171 
1 1 1   -7   11   21 o   97.752   5.8727  581.973   65.379  675.254  127.986  549.037   76.050  102.687   9.8145   92.817   6.4520 9.870049 11.74530 
1 1 1   -7   11   22 o   69.728   9.6770  336.969   67.743  291.581  149.366  348.723   76.009   65.595   17.576   73.860   8.1037 -8.264359 19.35393 
1 1 1   -7   11   23 o  226.884   4.3287  3407.39   98.729  3078.71  217.814  3492.38  110.760  219.430   7.8165  234.338   3.7219 -14.90804 8.657366 
1 1 1   -7   11   24 o  284.996   4.7617  5571.23  133.438  4585.46  295.158  5824.46  149.598  267.422   8.6912  302.571   3.8933 -35.14911 9.523422 
1 1 1   -7   11   25 o  116.466   6.1733  792.862   65.332  987.829  176.731  762.001   70.312  123.589   11.260  109.343   5.0636 14.24557 12.34657 
1 1 1   -7   11   26 o  131.650   6.7853  1225.19   70.371  984.857  201.073  1258.74   75.122  122.725   12.902  140.574   4.2080 -17.84963 13.57050 
1 1 1   -7   11   27 o  114.795   7.1729  820.072   66.087  904.748  200.311  809.729   70.007  116.971   13.485  112.620   4.8950 4.351196 14.34589 
1 1 1   -7   11   28 o   56.080   12.066  187.555   67.278  257.326  203.804  179.022   71.274   60.969   21.338   51.192   11.269 9.777092 24.13119 
1 1 1   -7   11   29 o   29.556   14.536 -344.2949  190.808   0.0000   0.0000 -344.2949  190.808  ?   ?    29.556   14.536      ?      ? 
1 1 1   -7   13    1 o  328.767   3.3853  6865.54  141.325  6757.94  200.058  6972.72  199.670  326.195   4.8295  331.339   4.7453 -5.144470 6.770655 
1 1 1   -7   13    2 o  517.484   6.3006 17011.23  414.056 17011.23  414.056   0.0000   0.0000  517.484   6.3006  ?   ?       ?      ? 
1 1 1   -7   13    3 f  276.184   3.1619  4844.15  110.845  4854.00  159.335  4834.91  154.303  276.455   4.5385  275.913   4.4038 0.5422363 6.323838 
1 1 1   -7   13    4 o  166.870   3.3730  1760.56   71.308  1891.03  105.347  1650.24   96.874  172.550   4.8076  161.191   4.7325 11.35860 6.746088 
1 1 1   -7   13    5 o  197.294   3.2553  2479.36   81.322  2339.80  117.327  2608.40  112.818  191.933   4.8136  202.656   4.3837 -10.72266 6.510592 
1 1 1   -7   13    6 o  472.147   4.1481 14142.89  248.470 14572.78  361.231 13756.85  342.311  478.944   5.9391  465.349   5.7925 13.59528 8.296131 
1 1 1   -7   13    7 o  475.154   4.1858 14337.71  252.470 14561.22  363.377 14129.12  351.035  478.729   5.9771  471.578   5.8616 7.151001 8.371648 
1 1 1   -7   13    8 o   36.123   8.0037   51.041   53.269 -75.9685   78.527  159.305   72.501   23.209   10.830   49.037   11.788 -25.82837 16.00741 
1 1 1   -7   13    9 o  552.371   5.7567 19473.17  382.252 19609.65  470.977 19209.75  654.323  555.382   6.6778  549.359   9.3790 6.022949 11.51340 
1 1 1   -7   13   10 o  111.005   4.3421  782.047   60.894  897.065   88.247  677.500   84.134  118.789   5.8498  103.221   6.4184 15.56857 8.684226 
1 1 1   -7   13   11 o  271.327   3.1915  4678.57  109.810  4677.36  159.619  4679.66  151.305  271.287   4.6332  271.366   4.3905 -0.7913208E-01 6.383031 
1 1 1   -7   13   12 o  190.436   3.2028  2300.33   77.342  2387.20  113.156  2224.17  105.956  193.801   4.5977  187.072   4.4601 6.729431 6.405557 
1 1 1   -7   13   13 o  348.056   3.4462  7699.52  152.290  7469.04  213.717  7937.27  217.063  342.763   4.9098  353.349   4.8373 -10.58664 6.892464 
1 1 1   -7   13   14 o  414.888   3.8203 10947.47  201.280 10902.68  285.164 10991.95  284.145  414.039   5.4234  415.736   5.3820 -1.696838 7.640658 
1 1 1   -7   13   15 f  180.839   3.3516  2090.02   76.315  1987.87  114.038  2172.86  102.701  176.799   5.0792  184.880   4.3743 -8.080917 6.703150 
1 1 1   -7   13   16 o  236.750   3.2407  3563.48   97.225  3571.81  142.308  3556.20  133.144  236.999   4.7283  236.502   4.4331 0.4970551 6.481469 
1 1 1   -7   13   17 o  196.367   3.3256  2458.98   82.401  2390.46  122.756  2515.17  111.170  193.851   4.9865  198.883   4.4016 -5.032623 6.651266 
1 1 1   -7   13   18 f  230.678   3.3065  3371.75   96.037  3483.28  146.681  3288.07  127.058  233.980   4.9365  227.376   4.4003 6.603485 6.612951 
1 1 1   -7   13   19 o  102.830   5.1188  679.828   63.772  657.560  106.788  692.171   79.505  101.432   8.2903  104.229   6.0066 -2.796768 10.23761 
1 1 1   -7   13   20 o  134.729   4.6395  1136.68   76.478  1235.77  128.754  1082.66   95.066  139.110   7.2883  130.348   5.7431 8.762115 9.279098 
1 1 1   -7   13   21 o   37.352   9.0502  -9.8597   78.433 -357.7455  130.835  185.293   97.993   22.172   11.092   52.532   14.304 -30.36022 18.10030 
1 1 1   -7   13   22 o  287.534   3.8546  5346.37  138.140  4799.23  210.142  5762.72  183.312  274.266   6.0334  300.803   4.7988 -26.53644 7.709123 
1 1 1   -7   13   23 f  171.619   4.7463  1892.77   91.259  1860.90  176.448  1904.40  106.627  170.356   8.1561  172.881   4.8567 -2.525146 9.492598 
1 1 1   -7   13   24 o  104.808   7.0488  630.519   59.511  819.568  186.974  609.208   62.776  111.888   13.159   97.727   5.0583 14.16061 14.09761 
1 1 1   -7   13   25 o   98.828   9.2530  715.168   61.612  575.372  198.630  730.050   64.808   90.700   17.880  106.955   4.7715 -16.25506 18.50608 
1 1 1   -7   13   26 o   29.238   13.797 -133.6713  133.745   0.0000   0.0000 -133.6713  133.745  ?   ?    29.238   13.797      ?      ? 
1 1 1   -7   15    1 o  367.453   3.5905  8580.22  167.470  8675.91  241.005  8490.88  232.881  369.429   5.1371  365.478   5.0176 3.950653 7.180952 
1 1 1   -7   15    2 o  425.934   3.9000 11527.50  210.816 11733.19  304.709 11338.65  291.978  429.569   5.5857  422.299   5.4444 7.269440 7.800090 
1 1 1   -7   15    3 o  152.160   3.6367  1469.01   69.961  1501.32  104.449  1442.71   94.220  153.667   5.3523  150.653   4.9248 3.014587 7.273303 
1 1 1   -7   15    4 o  387.539   3.7068  9536.55  182.212  9777.74  265.460  9321.69  250.557  392.158   5.3304  382.919   5.1525 9.238190 7.413639 
1 1 1   -7   15    5 o  384.429   3.6804  9396.24  179.639  9377.76  256.571  9414.00  251.596  384.053   5.2606  384.805   5.1486 -0.7519531 7.360846 
1 1 1   -7   15    6 o  139.207   3.7981  1229.37   67.035  1280.67   98.245  1184.68   91.698  141.915   5.4514  136.499   5.2900 5.416595 7.596128 
1 1 1   -7   15    7 o  404.776   3.7802 10418.07  194.277 10443.79  277.763 10393.44  271.830  405.260   5.3971  404.293   5.2945 0.9667969 7.560465 
1 1 1   -7   15    8 o  432.990   3.9360 11922.08  216.356 11993.09  310.339 11854.93  301.788  434.236   5.6277  431.743   5.5043 2.492645 7.871981 
1 1 1   -7   15    9 o  122.499   4.1202  953.427   63.874  968.821   94.688  940.573   86.525  123.397   6.0424  121.602   5.6030 1.794823 8.240452 
1 1 1   -7   15   10 o  324.100   3.4091  6676.37  140.251  6399.64  196.423  6964.21  200.324  317.246   4.8755  330.954   4.7664 -13.70834 6.818258 
1 1 1   -7   15   11 o  316.710   3.3981  6362.61  136.291  6580.10  201.689  6179.85  184.892  321.665   4.9374  311.754   4.6701 9.910980 6.796194 
1 1 1   -7   15   12 o  125.290   4.1879  992.034   65.999  1048.66  101.666  950.788   86.768  128.342   6.2378  122.238   5.5895 6.103874 8.375764 
1 1 1   -7   15   13 o   43.870   9.6058  123.223   58.542  123.128   90.275  123.292   76.906   44.222   14.188   43.517   12.954 0.7043991 19.21166 
1 1 1   -7   15   14 o  370.538   3.6653  8738.95  172.380  8667.31  247.327  8806.64  240.385  369.046   5.2773  372.029   5.0881 -2.983856 7.330667 
1 1 1   -7   15   15 o  319.308   4.5581  6608.87  166.938  6236.64  307.627  6764.24  198.748  312.562   7.7502  326.053   4.8000 -13.49039 9.116163 
1 1 1   -7   15   16 o  168.944   4.7403  1816.38  101.702   0.0000   0.0000  1816.38  101.702  ?   ?   168.944   4.7403      ?      ? 
1 1 1   -7   15   17 o  227.688   3.4703  3299.27  100.087  2990.15  139.631  3625.94  143.538  216.702   5.0739  238.674   4.7357 -21.97206 6.940544 
1 1 1   -7   15   18 o  214.133   3.9876  2935.65  107.639  2522.51  151.984  3351.42  152.467  198.894   6.0173  229.373   5.2343 -30.47963 7.975276 
1 1 1   -7   15   19 o  150.537   4.9340  1506.32   90.462  1090.63  133.925  1855.12  122.679  130.503   8.0810  170.571   5.6635 -40.06772 9.868033 
1 1 1   -7   15   20 o  154.152   4.1860  1489.01   79.739  1632.51  131.072  1404.69  100.471  159.869   6.4560  148.435   5.3300 11.43417 8.371918 
1 1 1   -7   15   21 o   42.412   10.848   95.109   67.147  118.167  135.401   87.589   77.324   46.622   17.251   38.202   13.156 8.419327 21.69560 
1 1 1   -7   15   22 o   72.228   9.0706  323.259   69.974  398.960  146.265  300.791   79.684   76.197   15.640   68.258   9.1927 7.939346 18.14114 
1 1 1   -7   15   23 o  121.386   8.6473  937.916   85.973  1013.66  252.258  927.961   91.448  122.415   16.227  120.357   5.9831 2.057999 17.29466 
1 1 1   -7   15   24 o   58.311   23.262  189.206  259.476  189.206  259.476   0.0000   0.0000   58.311   23.262  ?   ?       ?      ? 
1 1 1   -7   17    1 o  210.403   3.3825  2819.86   89.877  2770.68  133.738  2860.37  121.370  208.708   5.0459  212.097   4.5061 -3.388779 6.765036 
1 1 1   -7   17    2 o  295.584   3.3807  5557.62  126.795  5526.28  182.843  5586.65  175.984  294.771   4.8844  296.397   4.6754 -1.626099 6.761467 
1 1 1   -7   17    3 o  327.176   3.4603  6810.33  143.699  6737.08  205.909  6879.87  200.635  325.451   4.9821  328.902   4.8036 -3.450989 6.920656 
1 1 1   -7   17    4 o  108.170   4.9681  762.812   66.655  630.972   99.638  869.607   89.676   99.465   7.8882  116.876   6.0419 -17.41041 9.936226 
1 1 1   -7   17    5 o  158.012   3.8661  1602.09   76.801  1473.35  114.140  1708.60  103.819  152.134   5.9079  163.890   4.9882 -11.75565 7.732120 
1 1 1   -7   17    6 o  215.218   3.3797  2948.43   91.962  2921.20  136.291  2971.19  124.600  214.287   5.0083  216.149   4.5393 -1.861893 6.759341 
1 1 1   -7   17    7 o  195.096   4.1875  2492.15   97.001  2221.44  165.391  2634.10  119.761  186.687   6.9762  203.505   4.6341 -16.81808 8.375094 
1 1 1   -7   17    8 f  473.158   4.2517 14257.21  255.464 14062.69  360.043 14454.43  362.531  469.904   6.0335  476.413   5.9922 -6.509613 8.503464 
1 1 1   -7   17    9 o  172.583   3.7666  1888.79   81.856  1949.32  124.942  1843.27  108.348  174.972   5.6229  170.194   5.0130 4.777893 7.533116 
1 1 1   -7   17   10 o  191.737   3.5344  2347.51   85.571  2258.87  126.587  2422.10  116.121  188.366   5.2919  195.109   4.6866 -6.742203 7.068813 
1 1 1   -7   17   11 o  336.240   3.5412  7185.01  150.826  7354.52  222.416  7040.69  205.221  339.881   5.1530  332.599   4.8587 7.281799 7.082435 
1 1 1   -7   17   12 o   40.888   10.215   95.441   65.477   93.096  102.373   97.065   85.176   41.450   15.054   40.326   13.812 1.123398 20.43028 
1 1 1   -7   17   13 o  144.891   4.5374  1328.44   83.004  1436.78  125.883  1245.10  110.404  150.056   6.6060  139.727   6.2219 10.32881 9.074780 
1 1 1   -7   17   15 o   35.761   10.223   26.059   75.576 -41.4420  110.919   84.552  103.253   31.013   13.840   40.509   15.050 -9.496250 20.44637 
1 1 1   -7   17   16 o  157.419   4.3256  1603.67   84.955  1440.61  128.824  1729.15  113.013  150.150   6.7561  164.688   5.4037 -14.53781 8.651254 
1 1 1   -7   17   17 o  205.993   4.9459  2718.20  120.038  2724.16  145.013  2705.23  213.947  206.643   5.5260  205.344   8.2044 1.298996 9.891861 
1 1 1   -7   17   18 o   48.680   10.445  154.920   68.057  168.010  114.403  147.750   84.668   50.454   15.949   46.906   13.491 3.547543 20.88963 
1 1 1   -7   17   19 o   42.985   10.502  102.050   68.077  160.096  114.357   70.188   84.725   49.347   15.983   36.623   13.628 12.72332 21.00372 
1 1 1   -7   17   20 o  275.893   4.1461  4867.50  135.120  4896.99  240.308  4853.87  163.397  276.064   6.8546  275.721   4.6665 0.3428345 8.292281 
1 1 1   -7   17   21 o   55.680   9.9502  236.724   79.390   60.559  135.982  327.820   97.785   40.819   16.640   70.542   10.916 -29.72220 19.90038 
1 1 1   -7   19    1 o  404.735   3.9785 10439.60  204.354 10394.73  294.028 10481.53  284.223  403.866   5.7329  405.603   5.5180 -1.737213 7.957016 
1 1 1   -7   19    2 o  292.106   3.5895  5432.32  132.813  5450.22  195.086  5416.86  181.320  292.525   5.2515  291.688   4.8950 0.8375854 7.179080 
1 1 1   -7   19    3 o  248.777   3.6980  3937.76  116.599  4005.21  170.977  3879.12  159.419  250.745   5.3694  246.808   5.0863 3.937195 7.396043 
1 1 1   -7   19    4 o   76.245   8.6251  376.333   79.859  498.496  119.921  278.991  107.048   88.027   10.728   64.462   13.509 23.56447 17.25016 
1 1 1   -7   19    5 o  242.020   3.8105  3731.11  117.071  3755.46  168.103  3708.18  163.134  242.777   5.4524  241.264   5.3245 1.513672 7.620954 
1 1 1   -7   19    6 o  216.966   5.8663  3001.25  161.634  3001.25  161.634   0.0000   0.0000  216.966   5.8663  ?   ?       ?      ? 
1 1 1   -7   19    7 o  409.045   4.1514 10601.83  214.887 11500.29  320.727  9869.99  289.464  424.648   5.9474  393.443   5.7934 31.20517 8.302738 
1 1 1   -7   19    8 o  161.254   4.8209  1662.42   98.554  1546.24  139.014  1779.81  139.742  155.553   7.0372  166.954   6.5910 -11.40105 9.641758 
1 1 1   -7   19    9 o  242.918   3.6833  3765.54  113.440  3644.15  163.453  3878.34  157.567  239.106   5.3830  246.730   5.0288 -7.623596 7.366519 
1 1 1   -7   19   10 o   92.971   7.6050  544.409   85.043  598.759  148.934  518.114  103.592   96.122   12.201   89.820   9.0818 6.301895 15.20999 
1 1 1   -7   19   11 o  262.341   3.7023  4382.88  123.152  4468.88  179.931  4307.09  168.916  264.736   5.3520  259.946   5.1169 4.789642 7.404506 
1 1 1   -7   19   12 o  145.767   4.6560  1356.63   85.539  1373.44  129.499  1343.63  113.931  146.508   6.9603  145.026   6.1861 1.482208 9.312042 
1 1 1   -7   19   13 o  142.487   4.9030  1297.57   88.190  1322.83  132.694  1277.58  118.030  143.667   7.2730  141.307   6.5773 2.359177 9.806054 
1 1 1   -7   19   14 o  188.540   4.0297  2268.75   96.113  2302.93  142.781  2240.42  129.968  189.789   5.9241  187.291   5.4644 2.497543 8.059453 
1 1 1   -7   19   15 f  214.913   3.6769  2954.68   99.956  2903.03  147.341  2998.72  136.050  213.107   5.4444  216.718   4.9434 -3.610458 7.353819 
1 1 1   -7   19   16 f   74.592   7.7828  358.778   72.940  405.007  113.703  326.451   95.081   78.525   11.402   70.660   10.596 7.865021 15.56554 
1 1 1   -7   19   17 o   64.238   11.116  292.784   90.398  250.552  127.451  335.537  128.236   59.358   16.375   69.118   15.037 -9.760395 22.23215 
1 1 1   -7   19   18 o  135.158   5.5645  1148.49   93.946  946.797  121.031  1454.20  149.008  120.703   7.8959  149.613   7.8427 -28.90996 11.12895 
1 1 1   -7   21    1 o   99.657   7.0347  647.311   86.921  617.045  136.865  667.771  112.527   97.478   11.056  101.837   8.7011 -4.359192 14.06948 
1 1 1   -7   21    2 o  154.364   4.8608  1524.96   94.726  1539.33  142.147  1513.49  127.047  154.947   7.2240  153.781   6.5056 1.165619 9.721540 
1 1 1   -7   21    3 o  116.742   6.1882  890.189   89.796  809.110  138.262  949.336  118.090  111.883   9.7311  121.602   7.6471 -9.719063 12.37631 
1 1 1   -7   21    4 o  237.634   3.8516  3608.00  115.867  3583.53  170.444  3629.02  157.984  236.828   5.6672  238.439   5.2175 -1.610779 7.703198 
1 1 1   -7   21    5 o   74.697   9.4590  374.352   86.730  360.039  131.366  385.410  115.475   72.553   14.760   76.841   11.834 -4.288963 18.91806 
1 1 1   -7   21    6 o  164.196   4.6665  1713.99   96.565  1833.79  147.690  1624.53  127.624  169.104   6.8773  159.287   6.3092 9.816772 9.332944 
1 1 1   -7   21    7 o  101.158   6.8546  682.467   85.409  535.292  126.927  804.247  115.459   90.595   11.033  111.721   8.1379 -21.12655 13.70922 
1 1 1   -7   21    8 o  157.124   4.6964  1611.25   92.053  1374.33  136.596  1808.36  124.595  146.174   7.3585  168.075   5.8374 -21.90054 9.392709 
1 1 1   -7   21    9 o  204.545   3.9595  2681.12  102.463  2643.71  151.018  2713.04  139.478  203.145   5.8539  205.946   5.3330 -2.801239 7.918946 
1 1 1   -7   21   10 o  197.477   4.1507  2490.84  103.343  2579.46  156.928  2422.98  137.323  200.467   6.1643  194.486   5.5600 5.980606 8.301330 
1 1 1   -7   21   11 o   44.285   11.046  121.378   77.031  140.946  115.714  105.806  103.228   46.616   16.092   41.953   15.135 4.662949 22.09123 
1 1 1   -7   21   12 o   79.670   8.9277  445.613   84.172  366.639  131.638  500.234  109.476   72.090   14.873   87.249   9.8806 -15.15865 17.85544 
1 1 1   -7   21   13 o  164.485   6.4816  1777.01  133.080  1771.42  207.777  1780.89  173.289  163.758   9.9912  165.212   8.2595 -1.453705 12.96313 
1 1 1   -7   21   14 o  208.613   6.1507  2781.06  156.309  4082.77  241.507  1842.70  205.049  250.347   7.5964  166.879   9.6756 83.46785 12.30134 
1 1 1   -7   21   15 o  121.275   8.6022  1024.38  128.332  764.346  183.839  1271.53  179.227  104.699   13.827  137.851   10.238 -33.15134 17.20445 
1 1 1   -7   23    1 o  228.957   6.4256  3390.62  186.828   0.0000   0.0000  3390.62  186.828  ?   ?   228.957   6.4256      ?      ? 
1 1 1   -7   23    2 o  172.799   6.1018  1857.32  128.060  2844.67  206.058  1236.00  163.460  208.810   7.7707  136.789   9.4099 72.02119 12.20369 
1 1 1   -7   23    3 o   79.221   9.3127  352.527  113.364  1082.37  183.468 -98.2134  144.182  126.801   11.394   31.641   14.734 95.16052 18.62542 
1 1 1   -7   23    4 o   72.172   11.137  396.758  102.677  236.739  153.246  527.113  138.315   56.388   18.515   87.956   12.383 -31.56751 22.27429 
1 1 1   -7   23    5 o   75.211   10.797  426.626   99.031  309.306  153.269  510.706  129.752   63.663   18.101   86.759   11.777 -23.09607 21.59445 
1 1 1   -7   23    6 o  122.182   6.5417  993.114   99.248  972.816  156.540  1006.76  128.340  120.561   10.224  123.802   8.1631 -3.241943 13.08343 
1 1 1   -7   23    7 o   41.939   11.631   98.684   88.890   96.189  142.754  100.264  113.601   42.822   17.194   41.056   15.668 1.766041 23.26252 
1 1 1   -7   23    8 o   31.964   10.197 -34.5264   88.299 -70.4666  130.954  -4.5642  119.568   30.829   14.247   33.098   14.591 -2.269226 20.39316 
1 1 1   -7   23    9 o   39.387   12.227   19.662  117.871   51.309  169.586  -9.9150  163.947   41.335   17.808   37.439   16.759 3.896500 24.45381 
1 1 1   -7   23   10 o  120.273   7.8454  987.947  119.290  1126.15  175.776  869.955  162.418  128.270   10.791  112.276   11.391 15.99366 15.69086 
1 1 1   -7   23   11 o  114.555   8.2344  926.666  117.624  821.680  176.113  1011.21  158.042  107.448   12.907  121.662   10.229 -14.21431 16.46871 
1 1 1   -7   23   12 o   46.894   12.758  162.047  106.896  155.999  159.900  166.934  143.735   46.661   18.372   47.127   17.708 -0.4659424 25.51635 
1 1 1   -6    0    1 f  429.281   3.6934 11707.68  284.651 11707.68  284.651 11707.68  284.651  429.281   5.2232  429.281   5.2232 -0.000000 0.000000 
1 1 1   -6    0    2 o  710.971   5.7150 32116.77  729.516 32116.77  729.516 32116.77  729.516  710.971   8.0822  710.971   8.0822 -0.000000 0.000000 
1 1 1   -6    0    3 o   82.048   2.6441  430.134   38.778  430.134   38.778  430.134   38.778   82.048   3.7394   82.048   3.7394 -0.000000 0.000000 
1 1 1   -6    0    4 o  805.697   6.4200 41248.51  928.702 41248.51  928.702 41248.51  928.702  805.697   9.0793  805.697   9.0793 -0.000000 0.000000 
1 1 1   -6    0    5 o  301.684   3.0035  5782.91  162.659  5782.91  162.659  5782.91  162.659  301.684   4.2476  301.684   4.2476 -0.000000 0.000000 
1 1 1   -6    0    6 o  672.534   5.4721 28739.46  660.737 28739.46  660.737 28739.46  660.737  672.534   7.7387  672.534   7.7387 -0.000000 0.000000 
1 1 1   -6    0    7 o  569.420   4.7728 20601.96  487.934 20601.96  487.934 20601.96  487.934  569.420   6.7498  569.420   6.7498 -0.000000 0.000000 
1 1 1   -6    0    8 o  136.855   3.6326  1194.46   88.998  1194.46   88.998  1194.46   88.998  136.855   5.1373  136.855   5.1373 -0.000000 0.000000 
1 1 1   -6    0   10 o  184.939   2.7623  2174.83   91.654  2174.83   91.654  2174.83   91.654  184.939   3.9065  184.939   3.9065 -0.000000 0.000000 
1 1 1   -6    0   11 o  931.780   7.3884 55185.36  1236.05 55185.36  1236.05 55185.36  1236.05  931.780   10.449  931.780   10.449 -0.000000 0.000000 
1 1 1   -6    0   13 o  1173.22   9.2058 87512.64  1939.15 87512.64  1939.15 87512.64  1939.15  1173.22   13.019  1173.22   13.019 -0.000000 0.000000 
1 1 1   -6    0   14 o   75.870   5.4120  376.651   72.023  376.651   72.023  376.651   72.023   75.870   7.6538   75.870   7.6538 -0.000000 0.000000 
1 1 1   -6    0   15 o  323.155   3.5058  6636.35  203.355  6636.35  203.355  6636.35  203.355  323.155   4.9579  323.155   4.9579 -0.000000 0.000000 
1 1 1   -6    0   18 o  203.728   4.2940  2642.89  156.794  2642.89  156.794  2642.89  156.794  203.728   6.0726  203.728   6.0726 -0.000000 0.000000 
1 1 1   -6    0   19 o  362.175   4.0361  8336.47  262.376  8336.47  262.376  8336.47  262.376  362.175   5.7078  362.175   5.7078 -0.000000 0.000000 
1 1 1   -6    0   20 o   74.924   8.8953  385.575  109.555  385.575  109.555  385.575  109.555   74.924   12.580   74.924   12.580 -0.000000 0.000000 
1 1 1   -6    0   21 o  124.300   5.6491  994.002  124.914  994.002  124.914  994.002  124.914  124.300   7.9891  124.300   7.9891 -0.000000 0.000000 
1 1 1   -6    0   22 o  487.547   4.5975 15115.08  402.399 15115.08  402.399 15115.08  402.399  487.547   6.5019  487.547   6.5019 -0.000000 0.000000 
1 1 1   -6    0   23 o   20.636   9.9723 -72.8060  116.030 -72.8060  116.030 -72.8060  116.030   20.636   14.103   20.636   14.103 -0.000000 0.000000 
1 1 1   -6    0   24 o   80.779   9.8452  451.481  130.098  451.481  130.098  451.481  130.098   80.779   13.923   80.779   13.923 -0.000000 0.000000 
1 1 1   -6    0   25 o  153.502   5.2213  1509.34  143.182  1509.34  143.182  1509.34  143.182  153.502   7.3840  153.502   7.3840 -0.000000 0.000000 
1 1 1   -6    0   26 o  111.382   7.4235  811.984  145.465  811.984  145.465  811.984  145.465  111.382   10.498  111.382   10.498 -0.000000 0.000000 
1 1 1   -6    0   27 f   92.151   10.163  581.875  156.006  581.875  156.006  581.875  156.006   92.151   14.373   92.151   14.373 -0.000000 0.000000 
1 1 1   -6    0   28 o  110.793   8.7532  814.642  168.598  814.642  168.598  814.642  168.598  110.793   12.379  110.793   12.379 -0.000000 0.000000 
1 1 1   -6    0   29 o  181.396   6.1718  2114.26  200.000  2114.26  200.000  2114.26  200.000  181.396   8.7282  181.396   8.7282 -0.000000 0.000000 
1 1 1   -6    0   30 o   78.828   13.947  470.474  170.802  470.474  170.802  470.474  170.802   78.828   19.723   78.828   19.723 -0.000000 0.000000 
1 1 1   -6    0   31 o  119.036   8.7993  942.611  183.408  942.611  183.408  942.611  183.408  119.036   12.444  119.036   12.444 -0.000000 0.000000 
1 1 1   -6    0   32 o  257.523   4.9368  4249.63  227.944  4249.63  227.944  4249.63  227.944  257.523   6.9816  257.523   6.9816 -0.000000 0.000000 
1 1 1   -6    0   33 o   19.411   9.7701 -194.0346  148.348 -194.0346  148.348 -194.0346  148.348   19.411   13.817   19.411   13.817 -0.000000 0.000000 
1 1 1   -6    0   34 o   38.940   15.235  157.739  155.985  157.739  155.985  157.739  155.985   38.940   21.546   38.940   21.546 -0.000000 0.000000 
1 1 1   -6    0   35 o   19.086   9.5905 -166.0362  140.765 -166.0362  140.765 -166.0362  140.765   19.086   13.563   19.086   13.563 -0.000000 0.000000 
1 1 1   -6    2    1 o  935.656   9.0429 55839.30  1017.11 56215.53  1253.08 55112.73  1741.37  940.497   10.492  930.816   14.732 9.680908 18.08573 
1 1 1   -6    2    2 o  308.854   2.9874  6058.02  117.167  6115.81  165.635  6000.15  165.764  310.328   4.2029  307.379   4.2466 2.948822 5.974792 
1 1 1   -6    2    3 o  409.523   3.6258 10640.79  188.440 10377.70  260.741 10928.46  272.645  404.230   5.0793  414.816   5.1757 -10.58600 7.251659 
1 1 1   -6    2    4 o  407.646   4.1167 10635.85  187.505 10726.98  218.798 10383.85  363.835  410.989   4.1921  404.303   7.0863 6.686493 8.233450 
1 1 1   -6    2    5 o  390.890   4.0370  9362.45  169.046  9083.61  191.493 10347.04  359.835  378.200   3.9871  403.580   7.0210 -25.37958 8.074076 
1 1 1   -6    2    6 o  839.002   7.6766 45128.19  718.324 45544.20  837.568 43971.23  1396.79  846.638   7.7901  831.366   13.230 15.27167 15.35321 
1 1 1   -6    2    7 o  340.620   3.6922  7447.26  142.622  7544.92  168.066  7195.99  269.592  344.678   3.8396  336.562   6.3076 8.116486 7.384341 
1 1 1   -6    2    8 o  390.623   4.0655  9773.43  178.878  9869.20  209.760  9518.12  342.499  394.200   4.1901  387.046   6.9682 7.154419 8.130983 
1 1 1   -6    2    9 o  560.152   5.4137 19679.89  330.564 19439.76  378.945 20444.33  676.110  553.207   5.3940  567.097   9.3882 -13.89081 10.82744 
1 1 1   -6    2   10 o  609.003   7.1166 23564.71  550.388 23564.71  550.388   0.0000   0.0000  609.003   7.1166  ?   ?       ?      ? 
1 1 1   -6    2   11 o  1113.00   8.7462 78793.66  1236.13 79237.05  1759.90 78361.91  1736.63  1116.08   12.417  1109.92   12.321 6.164917 17.49237 
1 1 1   -6    2   12 o  234.355   4.3784  3488.10  130.306  3488.10  130.306   0.0000   0.0000  234.355   4.3784  ?   ?       ?      ? 
1 1 1   -6    2   13 o  886.833   8.1106 50202.88  796.192 49615.99  1571.81 50405.45  923.427  883.017   14.017  890.648   8.1643 -7.630920 16.22129 
1 1 1   -6    2   14 o  896.542   8.8588 48944.03  901.256 55986.04  1770.49 46481.04  1047.07  937.914   14.865  855.169   9.6415 82.74402 17.71762 
1 1 1   -6    2   15 f  354.911   4.7579  7946.83  213.473  8565.69  321.095  7456.63  285.775  367.206   6.8857  342.617   6.5681 24.58914 9.515877 
1 1 1   -6    2   16 o  482.345   6.0354 14777.59  369.690   0.0000   0.0000 14777.59  369.690  ?   ?   482.345   6.0354      ?      ? 
1 1 1   -6    2   17 o  647.196   7.6451 26610.23  628.344   0.0000   0.0000 26610.23  628.344  ?   ?   647.196   7.6451      ?      ? 
1 1 1   -6    2   18 o  606.514   5.2448 23373.17  403.617 23293.50  582.567 23446.71  559.719  605.513   7.5761  607.515   7.2550 -2.002075 10.48960 
1 1 1   -6    2   19 o  664.547   11.198 28080.46  945.002   0.0000   0.0000 28080.46  945.002  ?   ?   664.547   11.198      ?      ? 
1 1 1   -6    2   20 o  324.021   4.3677  6666.80  177.542  6645.65  233.418  6695.84  273.478  323.428   5.6830  324.615   6.6340 -1.187042 8.735377 
1 1 1   -6    2   21 o  218.553   3.9787  3029.32  108.915  3075.32  169.166  2996.75  142.342  219.951   6.0563  217.156   5.1616 2.794449 7.957473 
1 1 1   -6    2   22 o  321.054   3.9341  6538.72  159.255  6679.73  241.171  6429.69  212.067  324.092   5.8598  318.017   5.2510 6.074860 7.868294 
1 1 1   -6    2   23 o  122.270   5.9874  958.726   90.549  926.074  144.246  979.959  116.323  120.486   9.4273  124.054   7.3838 -3.567253 11.97476 
1 1 1   -6    2   24 o   64.438   10.389  301.624   87.754  124.566  140.708  414.326  112.261   48.396   17.638   80.480   10.984 -32.08444 20.77855 
1 1 1   -6    2   25 o  139.088   5.7254  1243.84   99.945  1161.38  150.400  1309.05  133.748  134.870   8.7812  143.306   7.3493 -8.435791 11.45085 
1 1 1   -6    2   26 o  233.787   4.5691  3492.23  134.218  3415.91  204.055  3550.42  178.188  231.465   6.9420  236.108   5.9428 -4.642715 9.138267 
1 1 1   -6    2   27 o  319.582   4.3491  6518.13  175.633  6428.42  260.724  6592.67  237.642  317.501   6.4663  321.663   5.8176 -4.161896 8.698157 
1 1 1   -6    2   28 o   94.012   9.9387  575.950  118.265  612.661  164.701  536.871  169.927   97.220   13.340   90.804   14.736 6.415749 19.87734 
1 1 1   -6    2   29 o   37.770   11.495 -81.1447  113.849 -295.5194  169.681   94.384  153.540   29.144   14.200   46.396   18.080 -17.25179 22.98983 
1 1 1   -6    2   30 o  166.752   6.1914  1764.46  129.319  1926.37  203.525  1654.83  167.471  172.959   9.2661  160.546   8.2142 12.41270 12.38280 
1 1 1   -6    2   31 o  145.636   7.3455  1381.15  133.021  1362.82  209.689  1393.50  172.078  144.476   11.429  146.796   9.2307 -2.319931 14.69094 
1 1 1   -6    2   32 o   40.171   12.211  -2.5366  117.034 -107.8623  175.484   81.842  157.067   35.799   16.526   44.544   17.983 -8.744957 24.42273 
1 1 1   -6    2   33 o  ?   ?  -1105.9860  105.291 -1173.8560  155.476 -1048.4910  143.100  ?   ?   ?   ?       ?      ? 
1 1 1   -6    2   34 o   44.377   12.456  100.313  107.570   30.758  148.060  178.073  156.549   38.546   16.623   50.207   18.555 -11.66124 24.91238 
1 1 1   -6    2   35 o   74.034   12.261  432.561  113.810  346.059  153.315  538.736  169.857   65.039   17.967   83.030   16.688 -17.99151 24.52160 
1 1 1   -6    4    1 o  620.101   5.0519 24380.68  397.264 25300.71  580.856 23572.12  544.535  631.065   7.2480  609.136   7.0394 21.92963 10.10375 
1 1 1   -6    4    2 o  575.331   4.7297 21021.82  345.496 20756.65  482.800 21300.14  494.625  571.615   6.6510  579.047   6.7264 -7.432129 9.459412 
1 1 1   -6    4    3 o  290.679   2.8372  5364.72  104.721  5461.80  149.457  5271.10  146.775  293.262   4.0131  288.096   4.0118 5.165283 5.674452 
1 1 1   -6    4    4 o  876.099   6.9413 48773.74  772.055 48066.82  1076.43 49522.68  1107.96  869.571   9.7477  882.627   9.8848 -13.05658 13.88261 
1 1 1   -6    4    5 o  335.508   3.1117  7148.99  132.577  7187.95  188.190  7110.61  186.803  336.415   4.4050  334.601   4.3962 1.814606 6.223391 
1 1 1   -6    4    6 o  298.907   2.9052  5658.10  110.101  5967.90  161.363  5388.23  150.605  306.540   4.1451  291.274   4.0716 15.26627 5.810309 
1 1 1   -6    4    7 o  403.380   3.5565 10306.65  181.870 10813.16  267.007  9868.25  248.405  412.598   5.0959  394.162   4.9626 18.43597 7.113011 
1 1 1   -6    4    8 o  149.749   2.4238  1425.28   45.941  1279.33   64.390  1576.61   65.568  141.933   3.5724  157.564   3.2769 -15.63176 4.847631 
1 1 1   -6    4    9 o  576.451   4.7602 21053.40  347.820 20213.66  474.541 22028.26  511.297  564.069   6.6247  588.833   6.8376 -24.76416 9.520444 
1 1 1   -6    4   10 o  618.863   5.0665 24331.43  398.154 24461.32  566.885 24204.98  559.341  620.491   7.1942  617.235   7.1359 3.256714 10.13299 
1 1 1   -6    4   11 o  747.386   7.3874 35391.23  656.979 35855.40  1155.38 35169.44  798.665  750.838   12.117  743.935   8.4538 6.902954 14.77472 
1 1 1   -6    4   12 f  343.478   3.2912  7433.29  142.985  6752.56  192.471  8271.65  213.598  326.069   4.6481  360.887   4.6607 -34.81796 6.582333 
1 1 1   -6    4   13 o  488.852   4.2267 15179.45  262.377 14922.90  370.023 15438.88  372.099  484.697   6.0115  493.008   5.9433 -8.310516 8.453434 
1 1 1   -6    4   14 o  367.299   5.2333  8568.41  244.101  8568.41  244.101   0.0000   0.0000  367.299   5.2333  ?   ?       ?      ? 
1 1 1   -6    4   15 o  626.684   5.2378 24951.27  416.784 24787.02  593.341 25111.26  585.579  624.645   7.4799  628.723   7.3341 -4.078064 10.47558 
1 1 1   -6    4   16 o  559.118   5.5347 19474.46  330.105 20574.72  699.519 19159.24  374.417  569.000   9.6808  549.237   5.3681 19.76294 11.06948 
1 1 1   -6    4   17 o  696.435   6.5976 30813.01  503.463 30841.67  1012.59 30803.60  580.272  696.504   11.448  696.366   6.5617 0.1376343 13.19520 
1 1 1   -6    4   18 f  248.128   3.9970  3933.35  103.428  3870.85  222.307  3950.61  116.844  246.839   7.0919  249.418   3.6889 -2.578430 7.993922 
1 1 1   -6    4   19 o  302.410   3.9858  5795.45  128.166  5834.90  269.657  5783.93  145.672  303.036   7.0071  301.783   3.8011 1.253906 7.971673 
1 1 1   -6    4   20 f  505.176   5.0974 16274.90  282.495 16126.71  565.670 16324.13  326.067  503.474   8.8473  506.877   5.0655 -3.403351 10.19479 
1 1 1   -6    4   21 o  309.754   3.8585  6095.98  151.780   0.0000   0.0000  6095.98  151.780  ?   ?   309.754   3.8585      ?      ? 
1 1 1   -6    4   22 f  260.035   3.9852  4444.71  111.679  4026.41  224.184  4582.78  128.797  251.512   7.0189  268.558   3.7765 -17.04611 7.970381 
1 1 1   -6    4   23 o   58.775   10.052  196.795   65.056  307.263  137.988  165.224   73.769   67.726   16.251   49.824   11.834 17.90129 20.10383 
1 1 1   -6    4   24 o  188.738   4.4257  2303.81   87.582  2203.74  185.397  2332.56   99.369  185.916   7.8525  191.559   4.0848 -5.642471 8.851408 
1 1 1   -6    4   25 o  192.163   4.4025  2353.63  104.246  2344.15  169.103  2359.45  132.395  191.780   6.9434  192.546   5.4145 -0.7661896 8.804956 
1 1 1   -6    4   26 o  119.560   6.4554  944.251   92.172  821.588  154.081  1012.61  115.021  113.142   10.724  125.978   7.1896 -12.83658 12.91087 
1 1 1   -6    4   27 o  222.756   6.6054  3165.82  186.855  3165.82  186.855   0.0000   0.0000  222.756   6.6054  ?   ?       ?      ? 
1 1 1   -6    4   28 o  302.691   6.1909  5846.07  237.973   0.0000   0.0000  5846.07  237.973  ?   ?   302.691   6.1909      ?      ? 
1 1 1   -6    4   29 o  128.007   7.1106  1036.59  112.542  1138.17  184.678  976.577  141.943  132.732   10.956  123.282   9.0664 9.449280 14.22114 
1 1 1   -6    4   30 o  167.485   5.9712  1740.58  123.096  2063.63  206.856  1563.46  153.168  178.913   9.1044  156.058   7.7287 22.85472 11.94246 
1 1 1   -6    4   31 o   60.420   13.269  260.579  112.218  190.817  194.867  295.193  137.264   56.023   20.703   64.818   16.602 -8.795166 26.53735 
1 1 1   -6    4   32 o   42.051   12.626   34.336  114.742   67.165  184.233   13.533  146.658   45.599   19.051   38.503   16.575 7.095242 25.25191 
1 1 1   -6    4   33 o   81.646   11.200  484.574  112.679  427.167  167.109  532.436  152.585   75.455   17.738   87.837   13.679 -12.38272 22.40020 
1 1 1   -6    4   34 o   30.470   10.164 -148.9932  107.025 -29.1404  145.890 -288.6582  157.488   34.545   15.606   26.395   13.025 8.149498 20.32716 
1 1 1   -6    4   35 o   55.530   22.106  275.204  233.884  275.204  233.884   0.0000   0.0000   55.530   22.106  ?   ?       ?      ? 
1 1 1   -6    6    1 o  340.321   3.1525  7354.24  136.227  7251.38  190.752  7461.30  194.615  337.893   4.4454  342.748   4.4712 -4.855164 6.305025 
1 1 1   -6    6    2 o  457.642   3.9195 13294.77  227.688 13602.97  327.978 13008.05  316.337  462.757   5.5810  452.527   5.5046 10.22989 7.838923 
1 1 1   -6    6    3 o  341.620   3.1665  7389.56  137.133  7036.32  187.267  7798.00  201.370  332.845   4.4304  350.396   4.5254 -17.55045 6.333065 
1 1 1   -6    6    4 f  596.974   4.8985 22642.87  371.359 22681.63  525.842 22604.29  524.523  597.483   6.9303  596.464   6.9247 1.019226 9.796984 
1 1 1   -6    6    5 o  364.140   3.3113  8417.34  153.079  8600.69  219.866  8244.85  213.257  367.986   4.7049  360.294   4.6609 7.691772 6.622679 
1 1 1   -6    6    6 f  840.807   6.6855 44900.98  713.397 45940.18  1031.30 43947.42  987.892  850.119   9.5527  831.496   9.3556 18.62354 13.37093 
1 1 1   -6    6    7 o   83.103   3.0523  436.433   32.107  489.180   47.140  390.792   43.850   87.764   4.2296   78.442   4.4020 9.321556 6.104630 
1 1 1   -6    6    8 f  381.169   4.1838  9210.88  190.768  9283.09  331.629  9175.17  233.218  382.258   6.8316  380.080   4.8318 2.177734 8.367579 
1 1 1   -6    6    9 o  654.407   6.5075 27278.78  512.002 27408.08  630.539 27028.49  877.244  656.790   7.5598  652.025   10.594 4.765137 13.01509 
1 1 1   -6    6   10 f  305.347   3.0179  5912.65  116.938  5667.54  161.788  6180.77  169.211  298.731   4.2647  311.964   4.2712 -13.23270 6.035787 
1 1 1   -6    6   11 o  343.414   4.0868  7444.26  164.278  7611.16  298.546  7371.77  196.742  346.134   6.7919  340.694   4.5473 5.440704 8.173579 
1 1 1   -6    6   12 o  287.609   3.0581  5239.98  111.411  5431.46  164.609  5078.12  151.342  292.444   4.4324  282.774   4.2145 9.669769 6.116184 
1 1 1   -6    6   13 o  421.279   3.7971 11273.73  203.110 11140.88  288.742 11403.85  285.763  418.821   5.4288  423.737   5.3105 -4.916626 7.594263 
1 1 1   -6    6   14 o  510.811   6.1815 16573.67  400.991   0.0000   0.0000 16573.67  400.991  ?   ?   510.811   6.1815      ?      ? 
1 1 1   -6    6   15 o  589.151   6.9794 22049.27  522.181   0.0000   0.0000 22049.27  522.181  ?   ?   589.151   6.9794      ?      ? 
1 1 1   -6    6   16 o  880.718   7.0630 49298.52  789.944 48908.50  1115.19 49691.29  1119.12  877.220   10.011  884.216   9.9664 -6.995972 14.12598 
1 1 1   -6    6   17 o  504.817   4.4958 16178.39  287.397 16319.46  423.567 16058.04  391.236  506.847   6.5806  502.787   6.1274 4.060150 8.991651 
1 1 1   -6    6   18 f  227.608   4.0035  3334.50   90.699  3221.15  206.517  3361.59  100.957  225.146   7.2229  230.070   3.4554 -4.923950 8.006912 
1 1 1   -6    6   19 o  320.828   4.0478  6573.33  136.695  6483.94  290.194  6598.82  154.964  319.342   7.1557  322.313   3.7859 -2.971222 8.095560 
1 1 1   -6    6   20 o  123.836   5.6036  986.373   61.826  962.033  161.941  990.526   66.893  122.819   10.383  124.854   4.2189 -2.034622 11.20723 
1 1 1   -6    6   21 o  289.794   3.9322  5328.33  119.256  5362.11  256.455  5319.01  134.706  290.254   6.9575  289.333   3.6662 0.9211121 7.864338 
1 1 1   -6    6   22 o   67.657   9.3954  342.165   59.151  233.076  141.482  365.272   65.115   59.565   17.529   75.749   6.7691 -16.18348 18.79080 
1 1 1   -6    6   23 o  345.051   4.0149  7567.83  175.927   0.0000   0.0000  7567.83  175.927  ?   ?   345.051   4.0149      ?      ? 
1 1 1   -6    6   24 o  117.424   6.2656  906.816   71.773  839.982  165.658  922.261   79.635  114.453   11.397  120.394   5.2086 -5.941154 12.53124 
1 1 1   -6    6   25 o  108.537   6.4727  618.610   71.554  1000.04  175.690  542.761   78.346  124.805   11.085   92.268   6.6863 32.53664 12.94542 
1 1 1   -6    6   26 o   73.740   8.9117  288.495   72.002  514.195  155.310  226.706   81.262   89.096   13.727   58.383   11.369 30.71283 17.82347 
1 1 1   -6    6   27 f  420.646   5.2715  8515.41  217.611 16338.40  576.644  7216.32  234.985  504.790   8.9954  336.503   5.4989 168.2866 10.54298 
1 1 1   -6    6   28 o  141.825   6.5712  1412.24   90.252  1107.69  200.390  1489.74  101.084  130.765   12.067  152.886   5.2064 -22.12059 13.14246 
1 1 1   -6    6   29 o  119.197   7.3618  777.406   86.660  1162.26  218.724  705.742   94.384  133.415   12.910  104.980   7.0797 28.43546 14.72351 
1 1 1   -6    6   30 o  123.512   7.6861  969.549  109.506  1053.73  206.414  936.578  129.184  126.523   12.847  120.500   8.4420 6.023460 15.37218 
1 1 1   -6    6   31 o   71.397   12.290  373.082  104.842  314.689  199.902  395.238  123.136   65.738   21.115   77.055   12.584 -11.31683 24.57991 
1 1 1   -6    6   32 o   30.833   14.681 -591.7029  121.189 -1198.4370  188.719 -165.9138  158.094  ?   ?    30.833   14.681      ?      ? 
1 1 1   -6    6   33 o   31.947   14.873 -90.5669  146.796 -90.5669  146.796   0.0000   0.0000   31.947   14.873  ?   ?       ?      ? 
1 1 1   -6    6   34 o   28.129   13.369 -116.8389  129.935 -116.8389  129.935   0.0000   0.0000   28.129   13.369  ?   ?       ?      ? 
1 1 1   -6    8    1 o  544.949   4.5412 18819.18  313.727 19623.44  460.420 18122.13  428.636  555.787   6.5233  534.111   6.3195 21.67554 9.082350 
1 1 1   -6    8    2 o  686.700   5.5555 29952.10  484.346 29498.38  675.723 30431.52  694.606  681.356   7.8094  692.044   7.9036 -10.68713 11.11098 
1 1 1   -6    8    3 o  953.581   7.5328 57785.68  911.886 56863.06  1269.49 58769.18  1310.70  945.730   10.570  961.432   10.735 -15.70123 15.06562 
1 1 1   -6    8    4 o  430.426   3.7603 11762.27  205.490 11539.54  286.698 11997.58  294.681  426.238   5.2966  434.614   5.3391 -8.375793 7.520631 
1 1 1   -6    8    5 f  1108.16   10.659 78206.65  1414.89 78068.19  2446.58 78276.22  1734.33  1106.96   17.404  1109.37   12.311 -2.405273 21.31783 
1 1 1   -6    8    6 o  756.791   6.0724 36385.13  583.469 36887.12  835.781 35907.90  814.914  761.878   8.6383  751.704   8.5366 10.17334 12.14475 
1 1 1   -6    8    7 o  371.483   3.3995  8762.95  160.352  8862.19  229.096  8667.64  224.519  373.544   4.8294  369.422   4.7858 4.121918 6.799062 
1 1 1   -6    8    8 o  492.246   5.1482 15410.03  304.029 15442.64  373.325 15345.80  523.889  493.066   5.9622  491.427   8.3947 1.639313 10.29649 
1 1 1   -6    8    9 o  370.706   4.8150  8727.89  226.674   0.0000   0.0000  8727.89  226.674  ?   ?   370.706   4.8150      ?      ? 
1 1 1   -6    8   10 o  663.336   5.4095 27952.46  455.665 27748.70  640.688 28161.03  648.193  660.890   7.6338  665.781   7.6665 -4.890625 10.81893 
1 1 1   -6    8   11 o  380.194   3.5547  9180.80  171.610  9031.87  242.689  9329.75  242.698  377.109   5.0676  383.279   4.9862 -6.169708 7.109397 
1 1 1   -6    8   12 o  251.926   4.7559  4030.74  152.154  4030.74  152.154   0.0000   0.0000  251.926   4.7559  ?   ?       ?      ? 
1 1 1   -6    8   13 o  531.060   6.4934 17914.52  437.919 17914.52  437.919   0.0000   0.0000  531.060   6.4934  ?   ?       ?      ? 
1 1 1   -6    8   14 o  459.658   4.1278 13414.48  240.764 13560.01  348.206 13281.18  333.269  462.043   5.9344  457.273   5.7391 4.770081 8.255536 
1 1 1   -6    8   15 o  253.665   3.2590  4076.50  103.625  4148.76  160.609  4024.97  135.633  255.581   4.9484  251.748   4.2425 3.832977 6.518059 
1 1 1   -6    8   16 o  185.087   3.6377  2179.06   81.102  2166.13  138.534  2185.80  100.037  184.658   5.9076  185.515   4.2463 -0.8568878 7.275310 
1 1 1   -6    8   17 o  473.741   4.2200 14179.49  252.444 14997.81  381.692 13543.22  336.569  485.808   6.1869  461.675   5.7406 24.13330 8.439929 
1 1 1   -6    8   18 o  346.050   3.6274  7592.42  157.672  7731.87  242.513  7490.30  207.517  348.774   5.4754  343.326   4.7596 5.448425 7.254886 
1 1 1   -6    8   19 o   40.092   10.066   71.872   54.967  135.176  119.762   54.978   61.868   47.863   16.378   32.321   11.708 15.54245 20.13256 
1 1 1   -6    8   20 o  115.151   5.6061  821.228   54.059  876.367  155.763  813.677   57.642  117.149   10.470  113.154   4.0114 3.994492 11.21216 
1 1 1   -6    8   21 o  225.143   3.8930  3130.77   85.076  3371.15  205.466  3081.03   93.465  230.080   7.0321  220.206   3.3423 9.873245 7.785960 
1 1 1   -6    8   22 o   63.196   9.7261  299.077   51.005  199.744  152.610  311.568   54.117   56.431   18.474   69.961   6.0912 -13.52930 19.45225 
1 1 1   -6    8   23 o  240.542   4.1787  3739.62   97.890  3597.56  228.873  3771.42  108.295  237.490   7.5888  243.595   3.5008 -6.105423 8.357342 
1 1 1   -6    8   24 f   84.582   8.7503  492.510   57.738  436.926  164.323  500.339   61.671   80.520   16.621   88.644   5.4784 -8.123871 17.50056 
1 1 1   -6    8   25 o  155.850   5.4743  1722.40   77.406  1314.53  185.332  1808.58   85.192  143.076   10.200  168.625   3.9783 -25.54893 10.94854 
1 1 1   -6    8   26 o  408.520   5.2163  7113.40  187.520 16618.92  589.863  6044.74  197.780  508.984   9.1258  308.056   5.0556 200.9273 10.43259 
1 1 1   -6    8   27 o   83.199   10.225  570.596   69.037  319.720  178.059  614.981   74.895   68.231   19.547   98.167   6.0077 -29.93548 20.44963 
1 1 1   -6    8   28 o   36.389   10.778   43.993   67.455 -162.6517  202.674   69.735   71.533   37.555   17.482   35.222   12.611 2.333313 21.55591 
1 1 1   -6    8   29 o   39.697   11.904   41.569   86.253 -56.8749  212.515   60.984   94.375   42.714   19.103   36.680   14.208 6.033298 23.80733 
1 1 1   -6    8   30 o  101.911   9.8737  713.096   78.519  693.750  225.231  715.772   83.775   98.267   18.732  105.555   6.2497 -7.288078 19.74736 
1 1 1   -6    8   31 o   25.514   9.1112 -598.8246  140.149 -554.2638  201.292 -640.7493  195.247   26.501   13.327   24.528   12.428 1.972637 18.22246 
1 1 1   -6    8   32 o   39.690   12.132   12.441  119.445 -171.1461  203.738  108.590  147.442   35.241   16.747   44.139   17.558 -8.897381 24.26409 
1 1 1   -6    8   33 o   44.746   19.449   81.097  205.892   81.097  205.892   0.0000   0.0000   44.746   19.449  ?   ?       ?      ? 
1 1 1   -6   10    1 o  527.810   4.4455 17666.68  297.654 17088.77  409.538 18313.78  433.363  518.678   6.2175  536.942   6.3555 -18.26434 8.890993 
1 1 1   -6   10    2 o  417.784   4.5670 11083.40  227.480 11099.14  397.441 11075.72  277.414  417.975   7.4876  417.593   5.2312 0.3819580 9.133991 
1 1 1   -6   10    3 o  449.084   3.9118 12802.34  223.018 12525.01  310.677 13097.19  320.335  444.069   5.5091  454.098   5.5549 -10.02896 7.823507 
1 1 1   -6   10    4 o  606.968   4.9985 23382.90  385.032 23958.92  556.829 22855.14  532.989  614.122   7.1399  599.814   6.9972 14.30719 9.996912 
1 1 1   -6   10    5 o  862.941   6.8618 47312.94  751.815 47885.68  1076.01 46766.64  1050.89  868.037   9.7612  857.844   9.6465 10.19391 13.72353 
1 1 1   -6   10    6 o  749.023   6.0445 35456.74  572.681 37711.88  857.343 33639.86  769.539  770.402   8.7631  727.645   8.3279 42.75659 12.08908 
1 1 1   -6   10    7 o  271.971   3.0913  4697.46  106.737  4546.12  150.317  4851.36  151.589  267.553   4.4241  276.390   4.3188 -8.837250 6.182619 
1 1 1   -6   10    8 o  641.635   5.2789 26154.57  430.137 26159.68  609.304 26149.49  607.311  641.697   7.4770  641.573   7.4540 0.1240234 10.55778 
1 1 1   -6   10    9 o  966.028   7.6535 59316.96  938.917 59404.05  1329.81 59230.38  1325.85  966.734   10.832  965.321   10.815 1.412720 15.30704 
1 1 1   -6   10   10 o  687.152   5.6213 29999.36  490.527 29890.54  692.602 30108.88  694.825  685.902   7.9514  688.403   7.9480 -2.500671 11.24255 
1 1 1   -6   10   11 o  430.747   3.9161 11775.82  214.135 11445.89  297.892 12128.59  308.028  424.509   5.5258  436.985   5.5507 -12.47620 7.832263 
1 1 1   -6   10   12 o  778.315   6.2765 38480.87  620.204 37862.98  865.056 39134.41  889.662  771.892   8.8249  784.738   8.9274 -12.84552 12.55295 
1 1 1   -6   10   13 o  449.747   4.0129 12813.67  228.713 13362.07  336.914 12344.94  311.480  458.645   5.7845  440.850   5.5637 17.79514 8.025890 
1 1 1   -6   10   14 o  181.132   3.2280  2063.19   73.493  2223.81  113.902  1948.62   96.196  187.109   4.7936  175.156   4.3247 11.95305 6.456092 
1 1 1   -6   10   15 o  359.560   3.5383  8212.29  161.388  8254.85  234.064  8173.72  222.824  360.443   5.1135  358.678   4.8919 1.765411 7.076652 
1 1 1   -6   10   16 o  248.854   3.1357  3929.42   98.564  3988.77  147.722  3881.79  132.327  250.537   4.6430  247.171   4.2157 3.365097 6.271313 
1 1 1   -6   10   17 o  474.471   4.1947 14317.57  252.644 14320.51  362.572 14314.80  352.237  474.507   6.0169  474.434   5.8463 0.7250977E-01 8.389438 
1 1 1   -6   10   18 o  193.873   3.3951  2383.54   81.428  2415.56  131.304  2363.53  103.799  194.903   5.3050  192.844   4.2385 2.059647 6.790226 
1 1 1   -6   10   19 o  111.003   4.8211  766.059   61.343  827.354  117.030  742.839   72.031  113.932   8.0886  108.075   5.2483 5.856834 9.642145 
1 1 1   -6   10   20 o  107.799   5.2368  646.078   61.815  936.673  134.096  567.664   69.658  121.152   8.7158   94.447   5.8077 26.70486 10.47353 
1 1 1   -6   10   21 o  223.284   4.1180  3278.30   88.743  3013.82  207.427  3337.55   98.182  217.400   7.5132  229.168   3.3737 -11.76735 8.235916 
1 1 1   -6   10   22 o  163.302   4.9559  1651.93   66.111  1765.20  196.039  1637.39   70.225  166.104   9.2936  160.500   3.4454 5.603653 9.911702 
1 1 1   -6   10   23 o  127.827   5.6487  1040.48   61.447  1049.48  171.175  1039.15   65.835  127.834   10.544  127.820   4.0558 0.1451874E-01 11.29738 
1 1 1   -6   10   24 o  102.774   9.0709  741.989   70.178  628.839  204.535  757.087   74.714   96.537   17.320  109.011   5.3970 -12.47466 18.14172 
1 1 1   -6   10   25 o  183.062   5.2213  2151.66   84.983  2130.90  223.700  2155.16   91.871  182.079   9.6745  184.046   3.9307 -1.967422 10.44254 
1 1 1   -6   10   26 o   73.451   10.339  366.408   63.355  348.926  180.503  368.864   67.660   70.963   19.451   75.939   7.0160 -4.976128 20.67753 
1 1 1   -6   10   27 o  143.261   6.1914  1293.21   74.584  1360.72  212.399  1283.71   79.657  144.593   11.567  141.928   4.4195 2.664932 12.38272 
1 1 1   -6   10   28 o   77.517   11.094  443.977   66.673  363.151  205.458  453.490   70.488   70.966   21.184   84.069   6.6024 -13.10271 22.18880 
1 1 1   -6   10   29 o   60.104   12.742  243.392  132.319 -70.5883  209.507  451.742  170.664   40.975   18.588   79.234   17.434 -38.25922 25.48495 
1 1 1   -6   10   30 o  207.401   7.1803  2849.87  188.669  2910.52  277.613  2797.81  257.192  209.186   10.450  205.617   9.8497 3.569183 14.36056 
1 1 1   -6   12    1 o  245.555   3.3096  3830.50  103.097  3805.89  149.025  3853.09  142.778  244.797   4.7937  246.313   4.5645 -1.515808 6.619278 
1 1 1   -6   12    2 o  571.541   4.8262 20645.36  349.042 21963.32  521.091 19572.80  470.081  587.995   6.9785  555.086   6.6686 32.90961 9.652443 
1 1 1   -6   12    3 o  490.437   5.2310 15297.14  308.578 15332.32  379.949 15228.96  528.896  491.307   6.0897  489.566   8.5071 1.741211 10.46207 
1 1 1   -6   12    4 o  655.194   5.3911 27260.57  448.402 27703.77  644.556 26844.92  624.205  660.349   7.6862  650.038   7.5615 10.31061 10.78212 
1 1 1   -6   12    5 o  1212.88   9.5138 93528.19  1464.85 95094.09  2105.92 92060.33  2038.92  1222.69   13.563  1203.07   13.345 19.62781 19.02758 
1 1 1   -6   12    6 f  389.450   3.6685  9629.51  181.398  9413.53  253.733  9855.30  259.433  384.985   5.1899  393.915   5.1862 -8.930054 7.336950 
1 1 1   -6   12    7 f  277.803   4.0899  4956.03  131.803  4768.42  239.634  5037.40  157.819  273.972   6.8876  281.634   4.4126 -7.662201 8.179836 
1 1 1   -6   12    8 o  308.629   3.2881  6046.87  128.842  6186.46  184.570  5914.19  179.937  312.101   4.6568  305.156   4.6432 6.944977 6.576135 
1 1 1   -6   12    9 o  1015.76   8.0289 65607.43  1035.54 66282.64  1479.48 64958.95  1449.91  1020.87   11.412  1010.65   11.297 10.22876 16.05787 
1 1 1   -6   12   10 o  199.685   3.1705  2528.16   80.111  2583.84  118.992  2481.99  108.342  201.690   4.6457  197.680   4.3158 4.010452 6.341039 
1 1 1   -6   12   11 o  531.658   4.5406 17951.99  306.408 18316.22  442.003 17615.03  425.141  536.842   6.4834  526.475   6.3588 10.36700 9.081242 
1 1 1   -6   12   12 o  164.442   3.2557  1717.63   67.855  1725.56   99.218  1710.67   93.005  164.795   4.7410  164.089   4.4632 0.7065430 6.511320 
1 1 1   -6   12   13 o  495.884   4.3106 15636.68  271.450 15529.20  383.449 15744.66  384.329  494.174   6.1101  497.594   6.0821 -3.419800 8.621195 
1 1 1   -6   12   14 o  233.248   3.0942  3466.80   91.307  3333.31  133.531  3584.02  125.132  229.009   4.5915  237.486   4.1491 -8.477081 6.188403 
1 1 1   -6   12   15 o  423.774   3.8845 11418.30  209.021 11174.04  293.573 11669.43  297.671  419.176   5.5150  428.372   5.4719 -9.196411 7.768940 
1 1 1   -6   12   16 o  161.656   3.2959  1660.29   67.055  1669.27  102.011  1653.46   88.980  162.028   4.9577  161.285   4.3443 0.7433929 6.591767 
1 1 1   -6   12   17 o  316.425   3.3469  6358.19  134.072  6467.93  198.316  6265.82  181.951  318.921   4.8966  313.929   4.5640 4.991486 6.693797 
1 1 1   -6   12   18 o  341.573   3.4936  7425.90  151.415  7265.60  217.125  7577.67  211.262  337.967   5.0589  345.178   4.8195 -7.210236 6.987139 
1 1 1   -6   12   19 o   97.526   5.1382  598.987   59.929  628.485  105.197  584.813   72.918   99.217   8.3491   95.835   5.9915 3.382393 10.27643 
1 1 1   -6   12   20 o  181.653   3.7076  2068.18   80.863  2198.58  141.258  2004.62   98.620  185.778   5.9875  177.528   4.3744 8.249664 7.415205 
1 1 1   -6   12   21 o   97.581   6.8917  659.093   71.176  521.045  140.672  706.596   82.518   89.880   12.324  105.282   6.1719 -15.40168 13.78339 
1 1 1   -6   12   22 o  166.426   4.6030  1762.98   97.284   0.0000   0.0000  1762.98   97.284  ?   ?   166.426   4.6030      ?      ? 
1 1 1   -6   12   23 o   26.026   13.126 -344.6158   55.324 -641.4052  203.083 -320.8241   57.499   26.026   13.126  ?   ?       ?      ? 
1 1 1   -6   12   24 o  258.351   4.2771  4073.59  104.491  4546.64  262.809  3984.77  113.878  266.424   7.7676  250.278   3.5830 16.14601 8.554169 
1 1 1   -6   12   25 o  171.523   5.5734  1995.41   78.037  1750.06  219.694  2030.83   83.481  164.419   10.522  178.626   3.6801 -14.20720 11.14680 
1 1 1   -6   12   26 o  133.136   5.5836  1075.73   64.124  1233.24  180.982  1053.12   68.572  137.738   10.347  128.534   4.2010 9.203949 11.16712 
1 1 1   -6   12   27 o   48.447   12.834   29.511  116.575  310.044  199.129 -116.7655  143.791   65.508   21.077   31.386   14.648 34.12285 25.66743 
1 1 1   -6   14    1 o  208.686   3.9199  2782.63   96.309  2725.07  171.333  2809.22  116.448  207.074   6.5153  210.297   4.3603 -3.223511 7.839778 
1 1 1   -6   14    2 o  556.472   4.7080 19670.11  332.547 20009.50  479.180 19354.78  461.880  561.095   6.7249  551.849   6.5907 9.245605 9.416012 
1 1 1   -6   14    3 o  373.088   4.3763  8889.34  197.221  8988.60  244.522  8704.57  333.621  376.134   5.1191  370.042   7.0994 6.092102 8.752583 
1 1 1   -6   14    4 o  326.293   3.3610  6761.65  139.229  6542.99  195.064  6988.73  198.786  320.916   4.7864  331.670   4.7196 -10.75360 6.721906 
1 1 1   -6   14    5 o   76.002   5.9407  367.891   56.420  459.426   82.049  285.786   77.707   84.993   7.6017   67.011   9.1314 17.98273 11.88144 
1 1 1   -6   14    6 o  506.448   4.3818 16305.87  281.801 16318.76  400.448 16293.22  396.633  506.644   6.2240  506.252   6.1694 0.3912354 8.763526 
1 1 1   -6   14    7 o  345.537   3.4616  7585.40  151.822  7662.39  218.587  7513.63  211.030  347.227   4.9572  343.847   4.8328 3.379364 6.923126 
1 1 1   -6   14    8 o  497.762   4.3419 15746.27  274.362 15330.10  381.993 16189.73  394.314  490.974   6.1266  504.549   6.1541 -13.57431 8.683752 
1 1 1   -6   14    9 o  186.032   3.2984  2195.52   77.792  2267.59  114.023  2132.76  106.401  188.880   4.7537  183.185   4.5738 5.694107 6.596771 
1 1 1   -6   14   10 o  420.966   5.5074 11268.86  294.424 11268.86  294.424   0.0000   0.0000  420.966   5.5074  ?   ?       ?      ? 
1 1 1   -6   14   11 o  131.732   3.9010  1102.16   65.012  1119.77   96.568  1087.57   87.921  132.685   5.7310  130.779   5.2939 1.905853 7.801938 
1 1 1   -6   14   12 o  263.399   3.1840  4412.76  106.443  4292.62  151.620  4529.52  149.469  259.856   4.5946  266.943   4.4091 -7.086670 6.367947 
1 1 1   -6   14   13 o  338.733   3.4282  7292.87  147.371  7375.81  212.849  7216.50  204.245  340.575   4.9213  336.891   4.7740 3.683563 6.856424 
1 1 1   -6   14   14 o   81.205   5.4368  417.477   55.626  497.935   82.131  349.292   75.607   88.399   7.3161   74.011   8.0443 14.38813 10.87364 
1 1 1   -6   14   15 o   99.704   4.7342  618.468   59.194  769.395   91.618  510.318   77.555  109.908   6.5641   89.499   6.8236 20.40838 9.468329 
1 1 1   -6   14   16 o   54.080   8.0752  193.681   53.432  202.784   80.563  186.531   71.395   55.171   11.852   52.988   10.971 2.182476 16.15044 
1 1 1   -6   14   17 o  101.470   4.8425  682.342   59.975  519.235   90.581  809.668   80.031   90.176   7.9098  112.764   5.5887 -22.58813 9.684963 
1 1 1   -6   14   18 o  239.783   3.2963  3657.46   99.798  3671.45  149.476  3646.20  134.051  240.169   4.9009  239.397   4.4094 0.7717896 6.592515 
1 1 1   -6   14   19 o   71.160   7.9238  349.438   65.361  267.369  104.866  401.574   83.583   63.098   13.495   79.222   8.3080 -16.12318 15.84763 
1 1 1   -6   14   20 o  389.329   5.3816  9658.83  266.074   0.0000   0.0000  9658.83  266.074  ?   ?   389.329   5.3816      ?      ? 
1 1 1   -6   14   21 o   80.382   8.5346  477.811   69.260  328.799  134.126  531.992   80.877   69.532   15.576   91.233   6.9807 -21.70143 17.06912 
1 1 1   -6   14   22 o  313.158   3.7887  6203.75  147.243  6488.98  236.984  6024.41  187.916  318.840   5.8529  307.476   4.8125 11.36453 7.577374 
1 1 1   -6   14   23 o  197.391   3.8133  2396.04   76.236  2641.27  175.035  2338.63   84.691  203.084   6.7869  191.698   3.4789 11.38599 7.626605 
1 1 1   -6   14   24 o   44.891   10.579  127.396   49.290   42.489  185.447  133.850   51.130   45.112   18.997   44.671   9.3147 0.4407845 21.15751 
1 1 1   -6   16    1 o  141.801   3.8870  1289.40   69.298  1187.29  103.030  1373.75   93.645  136.613   5.9387  146.989   5.0167 -10.37607 7.774063 
1 1 1   -6   16    2 o  404.935   3.7948 10416.94  194.926 10648.65  283.636 10209.55  268.334  409.187   5.4584  400.684   5.2735 8.503632 7.589669 
1 1 1   -6   16    3 o  242.050   3.2547  3721.84   99.771  3759.19  146.954  3689.91  135.889  243.166   4.7588  240.934   4.4413 2.231613 6.509357 
1 1 1   -6   16    4 o  166.392   3.5288  1756.88   74.169  1793.80  111.273  1727.36   99.495  167.951   5.2171  164.832   4.7531 3.118439 7.057646 
1 1 1   -6   16    5 o  361.000   3.5643  8244.86  162.774  8751.63  243.443  7835.11  218.903  370.968   5.1675  351.033   4.9105 19.93588 7.128562 
1 1 1   -6   16    6 o  242.030   3.2684  3724.56  100.151  3720.38  147.471  3728.14  136.440  241.891   4.8007  242.168   4.4366 -0.2765961 6.536843 
1 1 1   -6   16    7 o  199.921   3.3350  2541.15   84.511  2544.65  123.381  2538.06  115.994  200.042   4.8568  199.799   4.5715 0.2422180 6.669904 
1 1 1   -6   16    8 o  178.123   3.4983  2025.71   78.628  1939.29  116.552  2097.89  106.517  174.605   5.2564  181.642   4.6177 -7.036667 6.996609 
1 1 1   -6   16    9 o  182.037   3.4311  2114.64   79.001  2007.14  115.135  2210.29  108.600  177.635   5.1039  186.440   4.5868 -8.805099 6.862138 
1 1 1   -6   16   10 o  251.670   3.2834  3983.42  104.160  4389.11  159.601  3682.44  137.471  262.696   4.7841  240.644   4.4984 22.05199 6.566865 
1 1 1   -6   16   11 o   59.105   8.3487  230.199   60.187  250.181   90.706  214.482   80.448   61.387   12.066   56.822   11.542 4.565163 16.69745 
1 1 1   -6   16   12 o  230.226   3.2745  3372.44   95.475  3360.49  140.166  3382.78  130.406  229.830   4.8024  230.622   4.4527 -0.7921448 6.548990 
1 1 1   -6   16   13 o  111.031   4.5271  785.673   63.360  786.140   95.597  785.307   84.614  111.035   6.7797  111.027   6.0012 0.8239746E-02 9.054166 
1 1 1   -6   16   14 o  135.576   4.0977  1170.16   69.620  1176.67  107.676  1165.48   91.262  135.863   6.2407  135.289   5.3119 0.5745850 8.195336 
1 1 1   -6   16   15 o   99.086   5.3789  623.138   67.423  703.311   99.753  555.707   91.483  104.924   7.4864   93.248   7.7254 11.67632 10.75771 
1 1 1   -6   16   16 o  393.391   5.5100  9861.24  275.268   0.0000   0.0000  9861.24  275.268  ?   ?   393.391   5.5100      ?      ? 
1 1 1   -6   16   17 o  201.110   4.0641  2571.18  103.563  2692.36  152.777  2468.16  140.867  205.465   5.8552  196.755   5.6377 8.709473 8.128215 
1 1 1   -6   16   18 o  189.276   3.7318  2290.98   88.824  2227.19  134.357  2340.51  118.385  186.873   5.6615  191.679   4.8635 -4.806000 7.463665 
1 1 1   -6   16   19 o  122.525   4.9831  972.104   75.369  908.084  119.480  1014.42   97.133  119.013   7.9054  126.037   6.0686 -7.023781 9.966120 
1 1 1   -6   16   20 o  266.921   3.5882  4553.56  119.927  4494.58  185.116  4596.22  157.432  265.321   5.4941  268.522   4.6168 -3.200531 7.176302 
1 1 1   -6   16   21 o  149.462   4.7037  1476.86   83.621  1296.40  141.256  1574.22  103.755  141.934   7.8368  156.990   5.2043 -15.05559 9.407467 
1 1 1   -6   16   22 o  118.207   7.4238  1000.96   93.051  745.591  178.946  1095.60  108.937  105.825   13.315  130.588   6.5689 -24.76308 14.84760 
1 1 1   -6   18    1 o  199.412   3.6327  2510.96   91.487  2714.16  138.504  2353.68  121.853  206.500   5.2816  192.324   4.9891 14.17645 7.265448 
1 1 1   -6   18    2 f  330.239   3.5443  6941.88  148.523  6887.92  213.883  6992.13  206.402  328.984   5.1195  331.495   4.9030 -2.510590 7.088582 
1 1 1   -6   18    3 o  213.100   3.5285  2895.08   95.187  2815.63  139.171  2964.92  130.479  210.326   5.2105  215.873   4.7595 -5.546692 7.057093 
1 1 1   -6   18    4 f  206.377   3.5286  2699.65   92.137  2831.00  137.503  2592.61  124.124  210.902   5.1340  201.853   4.8422 9.048508 7.057264 
1 1 1   -6   18    5 o  152.258   4.0937  1469.26   78.835  1555.12  118.030  1400.10  105.929  156.241   5.9487  148.275   5.6256 7.965897 8.187455 
1 1 1   -6   18    6 o  310.897   3.4639  6141.78  136.601  6346.50  199.092  5959.68  187.770  315.775   4.9648  306.019   4.8317 9.755432 6.927796 
1 1 1   -6   18    7 o   73.615   6.9637  347.994   64.802  341.342   95.831  353.599   87.961   72.929   10.347   74.301   9.3222 -1.372330 13.92734 
1 1 1   -6   18    8 o  196.289   3.6850  2468.98   91.122  2304.84  134.932  2606.60  123.551  190.212   5.5860  202.366   4.8076 -12.15469 7.369949 
1 1 1   -6   18    9 o  196.411   3.8068  2469.85   94.322  2326.23  139.182  2591.82  128.267  191.061   5.7363  201.760   5.0061 -10.69815 7.613598 
1 1 1   -6   18   10 f  243.567   3.6345  3769.22  111.965  3874.74  166.954  3682.97  150.939  246.630   5.3306  240.504   4.9420 6.125946 7.268989 
1 1 1   -6   18   12 o  264.022   3.8922  4438.07  130.308  4536.57  190.360  4351.21  178.754  266.754   5.6193  261.291   5.3871 5.463776 7.784461 
1 1 1   -6   18   13 o   41.545   10.262   74.958   71.649  177.873  110.732   0.8400   93.972   51.773   15.574   31.316   13.368 20.45651 20.52452 
1 1 1   -6   18   14 o  103.499   5.8644  684.783   76.289  701.593  117.155  672.407  100.522  104.531   8.8255  102.467   7.7250 2.064262 11.72882 
1 1 1   -6   18   15 o  181.748   3.8877  2104.47   89.652  2179.81  130.165  2036.47  123.659  184.831   5.5455  178.666   5.4501 6.165344 7.775362 
1 1 1   -6   18   16 o  193.087   3.6326  2378.09   88.869  2387.51  130.267  2369.90  121.546  193.414   5.3036  192.760   4.9653 0.6539764 7.265113 
1 1 1   -6   18   17 o  127.960   4.9161  1049.81   79.864  1015.62  111.893  1085.31  114.028  125.828   7.0025  130.092   6.9021 -4.263802 9.832285 
1 1 1   -6   18   18 o   42.202   10.994   78.313   71.221  165.516  137.570   46.383   83.245   50.759   17.545   33.646   13.253 17.11345 21.98770 
1 1 1   -6   18   19 f   64.048   9.9760  283.030   78.670  315.801  118.008  256.817  105.545   67.374   14.238   60.721   13.977 6.653343 19.95193 
1 1 1   -6   18   20 o   88.805   9.7577  518.435  110.043  518.435  110.043   0.0000   0.0000   88.805   9.7577  ?   ?       ?      ? 
1 1 1   -6   20    1 o  403.953   4.0451 10406.51  207.422 10010.50  291.881 10810.52  294.819  396.164   5.8017  411.742   5.6384 -15.57745 8.090144 
1 1 1   -6   20    2 f   83.322   8.1968  444.931   85.141  468.871  135.326  429.247  109.536   85.036   12.532   81.608   10.569 3.427773 16.39360 
1 1 1   -6   20    3 f   84.438   7.8779  466.130   83.136  420.106  125.322  502.303  111.103   80.522   12.256   88.355   9.9018 -7.833443 15.75587 
1 1 1   -6   20    4 f   57.276   11.195  220.332   84.657  261.453  123.079  183.409  116.628   61.953   15.641   52.598   16.019 9.354843 22.38901 
1 1 1   -6   20    5 o   63.030   10.740  269.225   84.737  287.374  125.559  254.045  114.832   64.940   15.449   61.119   14.924 3.820824 21.48055 
1 1 1   -6   20    6 o   39.130   10.923   60.603   79.643   35.894  126.532   76.816  102.494   38.714   15.947   39.545   14.933 -0.8318825 21.84683 
1 1 1   -6   20    7 o   40.938   11.077   71.264   81.340  119.348  121.572   32.294  109.445   45.696   16.432   36.179   14.858 9.516865 22.15383 
1 1 1   -6   20    8 f  278.548   3.6706  4952.29  129.680  4841.74  186.832  5055.05  180.141  275.511   5.3399  281.585   5.0376 -6.074097 7.341139 
1 1 1   -6   20    9 o  250.398   3.7481  3998.96  118.904  4020.04  174.441  3980.66  162.505  250.974   5.4732  249.821   5.1222 1.153046 7.496192 
1 1 1   -6   20   10 o  168.842   4.2697  1829.91   90.946  1748.13  134.830  1898.18  123.190  165.291   6.4233  172.392   5.6270 -7.100677 8.539456 
1 1 1   -6   20   11 o  112.196   6.1027  830.690   84.549  705.571  129.408  923.879  111.681  104.415   9.7593  119.976   7.3301 -15.56021 12.20545 
1 1 1   -6   20   12 f  124.155   5.3603  1000.43   83.182  934.617  127.018  1049.85  110.069  120.387   8.3082  127.923   6.7755 -7.535378 10.72066 
1 1 1   -6   20   13 o  122.948   5.2949  971.257   82.019  991.984  124.589  955.404  108.962  124.001   7.9118  121.894   7.0391 2.107216 10.58983 
1 1 1   -6   20   14 o  123.215   5.0849  968.513   78.801  1049.96  121.859  909.979  103.308  127.534   7.5241  118.897   6.8420 8.636490 10.16984 
1 1 1   -6   20   15 o   98.886   8.0547  654.843  100.013  574.536  145.852  726.117  137.405   92.723   12.386  105.050   10.300 -12.32694 16.10936 
1 1 1   -6   20   16 o   66.865   12.242  321.116  104.010  272.258  135.791  390.472  161.787   61.011   16.930   72.720   17.689 -11.70975 24.48476 
1 1 1   -6   20   17 o  133.347   9.0689  1171.63  153.573  1171.63  153.573   0.0000   0.0000  133.347   9.0689  ?   ?       ?      ? 
1 1 1   -6   22    1 o   53.518   12.051  195.451   90.800  197.359  145.880  194.244  116.013   54.059   18.078   52.978   15.942 1.081512 24.10287 
1 1 1   -6   22    2 o  101.496   7.1246  678.451   89.194  647.444  142.324  698.505  114.460   99.207   11.297  103.786   8.6844 -4.578369 14.24910 
1 1 1   -6   22    3 o   41.963   11.330   57.783   85.907  177.827  141.727 -11.9393  108.011   51.881   17.815   32.046   14.005 19.83509 22.66041 
1 1 1   -6   22    4 f  222.818   4.0662  3171.27  113.609  3259.26  176.165  3108.61  148.651  225.295   6.1573  220.341   5.3125 4.954437 8.132313 
1 1 1   -6   22    5 o   31.811   9.9263 -26.7086   80.347 -114.9334  132.353   24.781  101.110   29.794   13.954   33.827   14.122 -4.032715 19.85253 
1 1 1   -6   22    6 o   38.618   10.212   47.338   81.086 -120.8341  127.790  160.683  104.910   28.814   13.563   48.423   15.269 -19.60938 20.42301 
1 1 1   -6   22    7 o   84.608   8.8992  496.762   90.280  416.293  137.353  557.968  119.791   77.145   14.554   92.071   10.245 -14.92678 17.79834 
1 1 1   -6   22    8 o  105.144   7.0961  721.354   94.283  813.144  141.760  648.545  126.255  111.077   10.050   99.210   10.021 11.86703 14.19214 
1 1 1   -6   22    9 o   26.191   12.882 -491.2698   98.363 -280.5534  149.908 -650.5823  130.347   26.191   12.882  ?   ?       ?      ? 
1 1 1   -6   22   11 o  ?   ?  -906.1328  120.776 -1405.5200  217.035 -682.1124  145.363  ?   ?   ?   ?       ?      ? 
1 1 1   -6   22   12 o  124.295   8.0157  1047.27  124.067  1051.01  195.105  1044.72  160.756  123.684   12.422  124.906   10.135 -1.222237 16.03141 
1 1 1   -6   22   13 o  168.678   6.1178  1895.04  130.319  1702.53  186.407  2079.07  182.260  159.805   9.1853  177.550   8.0834 -17.74471 12.23568 
1 1 1   -6   22   14 o   43.847   18.408   92.465  173.277   92.465  173.277   0.0000   0.0000   43.847   18.408  ?   ?       ?      ? 
1 1 1   -6   24    1 o   41.918   10.875   11.142   91.033  278.721  148.596 -149.6163  115.177   58.888   18.109   24.948   12.047 33.94014 21.75017 
1 1 1   -6   24    2 o  207.777   4.5527  2831.45  117.998  2747.99  183.324  2890.48  154.182  204.574   7.0565  210.980   5.7546 -6.405411 9.105493 
1 1 1   -6   24    3 o   89.568   8.4538  536.196   93.328  664.185  156.673  465.800  116.194   96.959   12.724   82.178   11.134 14.78041 16.90767 
1 1 1   -6   24    4 o  110.441   7.1343  825.326   96.357  850.737  159.741  810.791  120.812  110.773   11.355  110.110   8.6399 0.6631241 14.26863 
1 1 1   -6   24    5 o   84.221   9.0217  500.694   94.120  521.179  151.201  487.736  120.260   84.647   14.066   83.795   11.301 0.8522415 18.04340 
1 1 1   -6   24    6 o   32.238   10.303 -21.4385   88.965 -27.5792  138.090 -17.0811  116.323   33.196   15.072   31.279   14.051 1.916563 20.60542 
1 1 1   -6   24    7 o   41.251   12.711   59.686  126.227   8.4388  191.182   99.291  168.067   39.554   17.868   42.948   18.085 -3.394791 25.42283 
1 1 1   -5    1    1 o  197.370   2.3084  2472.98   57.850  2432.86   80.935  2514.88   82.718  195.734   3.2561  199.006   3.2731 -3.271973 4.616808 
1 1 1   -5    1    2 o  834.430   9.3819 44120.60  991.616 46304.67  1467.36 42284.79  1345.29  853.348   13.540  815.513   12.990 37.83533 18.76386 
1 1 1   -5    1    3 o  590.903   4.8503 22175.15  363.925 22419.74  519.708 21939.82  509.771  594.099   6.8885  587.708   6.8302 6.391296 9.700687 
1 1 1   -5    1    4 o  196.477   2.5293  2434.85   62.894  2213.68   85.085  2701.27   93.385  186.707   3.5885  206.247   3.5654 -19.53976 5.058626 
1 1 1   -5    1    5 o  367.900   3.4022  8585.28  158.835  8872.48  230.117  8323.94  219.512  373.769   4.8481  362.032   4.7746 11.73730 6.804411 
1 1 1   -5    1    6 o  673.008   6.6859 28833.78  540.922 28936.54  665.865 28634.36  927.575  674.870   7.7694  671.145   10.883 3.725220 13.37187 
1 1 1   -5    1    7 o  302.143   3.4907  5533.07  113.367  5316.73  128.353  6300.59  241.758  289.346   3.4931  314.939   6.0447 -25.59262 6.981431 
1 1 1   -5    1    8 o  418.758   4.3084 11243.51  201.948 11361.85  236.011 10920.00  390.222  422.958   4.3940  414.558   7.4122 8.400024 8.616742 
1 1 1   -5    1    9 o  732.418   6.8143 34418.94  557.401 34773.45  650.601 33440.64  1080.79  739.794   6.9251  725.042   11.738 14.75183 13.62867 
1 1 1   -5    1   10 o  1117.66   12.447 79476.93  1766.66 79476.93  1766.66   0.0000   0.0000  1117.66   12.447  ?   ?       ?      ? 
1 1 1   -5    1   11 o  218.578   2.9075  3030.25   80.247  3070.76  120.440  2997.91  107.613  219.887   4.3131  217.268   3.9003 2.619659 5.815067 
1 1 1   -5    1   12 o  822.025   6.5861 42914.02  687.167 41939.59  952.996 43969.33  991.764  812.319   9.2382  831.730   9.3896 -19.41113 13.17228 
1 1 1   -5    1   13 o  640.953   5.2895 26097.96  430.450 26272.82  615.948 25931.04  601.796  643.047   7.5426  638.858   7.4177 4.189758 10.57890 
1 1 1   -5    1   14 o  268.147   3.2603  4579.93  110.672  4343.81  160.308  4794.94  152.978  261.522   4.8269  274.773   4.3841 -13.25098 6.520668 
1 1 1   -5    1   15 o  542.165   4.6812 18674.01  322.225 18588.91  460.323 18755.76  451.203  540.951   6.7008  543.379   6.5387 -2.427979 9.362452 
1 1 1   -5    1   16 o  607.728   5.1724 23457.02  399.020 23629.02  573.527 23295.66  555.505  609.883   7.4051  605.573   7.2234 4.310486 10.34472 
1 1 1   -5    1   17 o  642.451   7.6720 26221.33  625.928   0.0000   0.0000 26221.33  625.928  ?   ?   642.451   7.6720      ?      ? 
1 1 1   -5    1   18 o  243.128   5.9810  3826.07  163.646  3911.21  192.437  3603.69  311.023  248.144   6.1067  238.112   10.286 10.03256 11.96193 
1 1 1   -5    1   19 o  359.278   4.5403  8213.02  204.683  8287.60  270.093  8112.41  313.710  361.210   5.8881  357.346   6.9129 3.863342 9.080639 
1 1 1   -5    1   20 o  229.405   3.9471  3307.29  114.269  3668.69  173.920  3032.79  151.577  240.312   5.6990  218.499   5.4627 21.81293 7.894253 
1 1 1   -5    1   21 o  371.320   4.0454  8734.86  190.130  9092.08  282.704  8439.85  256.911  378.219   5.8859  364.421   5.5514 13.79865 8.090822 
1 1 1   -5    1   22 o  260.163   4.0274  4308.73  132.545  4246.21  195.509  4361.91  180.306  258.397   5.9580  261.929   5.4206 -3.531860 8.054874 
1 1 1   -5    1   23 o  307.217   3.9591  6011.09  154.119  5856.90  223.851  6150.04  212.506  303.447   5.8090  310.987   5.3809 -7.539429 7.918183 
1 1 1   -5    1   24 o  362.428   4.1429  8364.29  190.516  8142.85  272.692  8575.43  266.283  357.720   6.0028  367.136   5.7114 -9.416534 8.285703 
1 1 1   -5    1   25 o  152.852   5.3062  1484.84  102.414  1530.65  154.226  1448.71  136.974  154.927   7.8389  150.777   7.1536 4.149689 10.61238 
1 1 1   -5    1   26 o  284.938   4.2064  5169.00  152.112  5212.12  219.421  5129.10  211.060  286.068   6.0399  283.807   5.8561 2.261597 8.412736 
1 1 1   -5    1   27 o  209.060   4.7825  2783.83  126.730  2853.16  185.921  2723.67  173.201  211.464   6.9233  206.656   6.5997 4.808823 9.564962 
1 1 1   -5    1   28 o  149.486   8.7679  1431.56  166.447   0.0000   0.0000  1431.56  166.447  ?   ?   149.486   8.7679      ?      ? 
1 1 1   -5    1   29 o  158.109   6.5167  1607.21  130.143  1587.00  193.671  1623.85  175.734  157.104   9.7073  159.114   8.6970 -2.009506 13.03341 
1 1 1   -5    1   30 o   47.532   12.383   80.733  115.463 -123.3435  175.918  235.183  153.041   35.910   16.566   59.154   18.409 -23.24418 24.76534 
1 1 1   -5    1   31 o  196.234   5.8450  2499.36  144.399  2288.22  212.685  2679.92  196.675  188.265   8.8959  204.202   7.5842 -15.93729 11.69007 
1 1 1   -5    1   32 o  208.621   5.4540  2803.56  144.236  2949.15  211.881  2677.83  196.901  213.608   7.8108  203.634   7.6141 9.973618 10.90797 
1 1 1   -5    1   33 f  ?   ?  -749.4083  103.548 -758.6028  147.914 -740.5715  145.008  ?   ?   ?   ?       ?      ? 
1 1 1   -5    1   34 o   40.362   12.078   49.749  107.606   87.693  153.686   13.259  150.714   42.937   17.617   37.787   16.527 5.150192 24.15626 
1 1 1   -5    1   35 f   45.539   12.716  131.064  111.168   65.594  154.683  201.006  159.878   40.320   17.180   50.758   18.753 -10.43779 25.43297 
1 1 1   -5    3    1 o  635.173   7.2856 25629.01  587.668 25629.01  587.668   0.0000   0.0000  635.173   7.2856  ?   ?       ?      ? 
1 1 1   -5    3    2 o  905.529   8.7827 51919.00  946.666 51517.46  1150.80 52759.45  1664.93  900.347   10.065  910.711   14.396 -10.36407 17.56541 
1 1 1   -5    3    3 o  452.665   3.8614 12955.66  221.314 12292.00  299.227 13757.15  328.834  439.927   5.3560  465.403   5.5638 -25.47577 7.722867 
1 1 1   -5    3    4 f  837.986   8.1914 44082.30  807.944 43175.96  969.544 46142.00  1461.58  824.264   9.2624  851.707   13.513 -27.44250 16.38282 
1 1 1   -5    3    5 o  754.117   6.0326 36068.22  576.896 34914.42  790.671 37381.70  843.608  741.254   8.3994  766.980   8.6612 -25.72583 12.06513 
1 1 1   -5    3    6 o  538.456   4.4699 18383.98  305.253 17774.29  418.909 19074.22  445.724  528.959   6.2362  547.954   6.4054 -18.99457 8.939742 
1 1 1   -5    3    7 o  593.579   4.8716 22354.32  366.858 23062.02  533.497 21719.50  505.285  602.474   6.9729  584.684   6.8051 17.79016 9.743295 
1 1 1   -5    3    8 o  272.497   2.7862  4714.27   96.391  4780.23  138.295  4651.96  134.422  274.350   3.9694  270.645   3.9110 3.705078 5.572458 
1 1 1   -5    3    9 o  239.139   3.8504  3631.90  116.931  3631.90  116.931   0.0000   0.0000  239.139   3.8504  ?   ?       ?      ? 
1 1 1   -5    3   10 o  457.454   5.6300 13292.60  327.064 13292.60  327.064   0.0000   0.0000  457.454   5.6300  ?   ?       ?      ? 
1 1 1   -5    3   11 o  408.085   3.6565 10549.12  189.055 10974.81  278.952 10187.49  257.110  415.676   5.2844  400.494   5.0553 15.18213 7.313054 
1 1 1   -5    3   12 o  352.423   4.6495  7888.26  208.087   0.0000   0.0000  7888.26  208.087  ?   ?   352.423   4.6495      ?      ? 
1 1 1   -5    3   13 o  643.633   4.8497 26159.61  384.195 26951.64  630.262 25691.27  484.651  651.300   7.6201  635.966   6.0009 15.33466 9.699343 
1 1 1   -5    3   14 o  427.291   4.3975 11743.43  208.256 11298.27  407.595 11900.70  242.266  421.700   7.6111  432.882   4.4070 -11.18195 8.794930 
1 1 1   -5    3   15 o  512.314   5.0526 16649.50  283.443 16720.51  571.141 16626.29  326.485  512.977   8.7673  511.651   5.0247 1.326599 10.10515 
1 1 1   -5    3   16 o  151.467   6.4664  1832.93   95.857  632.508  152.200  2622.12  123.407   99.741   12.016  203.192   4.7825 -103.4515 12.93288 
1 1 1   -5    3   17 o  485.410   8.6732 14971.71  534.647 14971.71  534.647   0.0000   0.0000  485.410   8.6732  ?   ?       ?      ? 
1 1 1   -5    3   18 o  483.738   4.9231 14934.17  262.637 14726.72  521.205 15004.78  304.062  481.417   8.5253  486.058   4.9260 -4.641052 9.846129 
1 1 1   -5    3   19 o  625.399   5.9880 25062.24  416.095 24429.83  813.962 25285.97  484.134  619.883   10.340  630.916   6.0425 -11.03290 11.97604 
1 1 1   -5    3   20 o   78.131   7.7340  364.273   62.616  431.281  141.749  348.027   69.795   82.268   13.568   73.995   7.4276 8.273064 15.46791 
1 1 1   -5    3   21 o  139.988   5.1685  1227.76   87.194  1305.93  151.179  1188.80  106.736  143.238   8.3111  136.739   6.1467 6.499390 10.33709 
1 1 1   -5    3   22 o  434.719   4.6653 11972.54  221.559 12125.37  448.802 11923.29  254.768  436.321   8.0997  433.117   4.6319 3.203400 9.330620 
1 1 1   -5    3   23 o  213.407   4.1396  2799.41   92.967  3073.36  202.569  2726.31  104.637  219.691   7.2608  207.123   3.9781 12.56831 8.279166 
1 1 1   -5    3   24 o  199.956   4.4206  2562.10  109.614  2463.06  173.155  2628.32  141.598  196.653   6.9336  203.259   5.4857 -6.606262 8.841221 
1 1 1   -5    3   25 f  145.136   5.5498  1323.75  100.571  1449.31  160.182  1242.04  129.213  150.688   8.3706  139.585   7.2894 11.10320 11.09966 
1 1 1   -5    3   26 o  297.863   4.1985  5640.17  156.137  5711.41  244.975  5591.43  202.626  299.361   6.4439  296.365   5.3838 2.996033 8.396994 
1 1 1   -5    3   27 o   95.886   8.8645  616.139  102.131  513.601  165.914  678.700  129.595   88.922   14.692  102.850   9.9222 -13.92754 17.72901 
1 1 1   -5    3   28 o  372.961   6.1318  8872.63  290.424   0.0000   0.0000  8872.63  290.424  ?   ?   372.961   6.1318      ?      ? 
1 1 1   -5    3   29 o  204.682   5.1485  2695.25  132.618  2548.64  198.161  2814.18  178.479  199.495   7.8218  209.868   6.6967 -10.37292 10.29696 
1 1 1   -5    3   30 o   95.001   10.336  575.433  117.853  835.214  187.599  406.068  151.474  113.024   13.070   76.978   16.017 36.04601 20.67269 
1 1 1   -5    3   31 f   28.156   9.7799 -306.3151  114.613 -260.0643  182.836 -336.2543  147.103   31.538   15.217   24.773   12.289 6.764578 19.55973 
1 1 1   -5    3   32 o  171.282   5.9580  1921.79  127.818  1787.73  193.323  2025.91  170.370  165.564   9.1947  176.999   7.5796 -11.43472 11.91607 
1 1 1   -5    3   33 o  236.493   6.9770  3627.37  209.538  3627.37  209.538   0.0000   0.0000  236.493   6.9770  ?   ?       ?      ? 
1 1 1   -5    3   34 o   66.537   12.110  339.640  102.955  305.880  140.705  378.544  151.045   62.921   17.143   70.152   17.108 -7.230652 24.21915 
1 1 1   -5    3   35 o   64.042   17.594  335.987  147.491  335.987  147.491   0.0000   0.0000   64.042   17.594  ?   ?       ?      ? 
1 1 1   -5    5    1 o  379.803   3.3900  9154.33  163.427  9399.89  235.693  8926.94  226.805  384.704   4.8244  374.902   4.7638 9.801575 6.780035 
1 1 1   -5    5    2 o  616.237   5.0290 24127.44  393.553 24097.47  555.899 24157.55  557.240  615.853   7.1079  616.620   7.1162 -0.7667847 10.05794 
1 1 1   -5    5    3 o  434.101   3.7526 11956.57  206.730 12317.28  299.219 11627.14  285.952  440.357   5.3507  427.845   5.2629 12.51196 7.505203 
1 1 1   -5    5    4 o  313.979   2.9860  6257.82  119.027  6410.48  170.736  6113.48  166.021  317.703   4.2318  310.256   4.2137 7.446472 5.971919 
1 1 1   -5    5    5 o  293.572   4.0484  5473.58  150.931  5473.58  150.931   0.0000   0.0000  293.572   4.0484  ?   ?       ?      ? 
1 1 1   -5    5    6 f  327.391   3.0804  6770.12  127.673  7292.30  189.906  6339.45  172.467  338.846   4.4132  315.935   4.2986 22.91025 6.160751 
1 1 1   -5    5    7 o  627.247   5.1149 24998.86  407.434 25008.74  576.589 24989.01  575.809  627.371   7.2371  627.124   7.2301 0.2470703 10.22988 
1 1 1   -5    5    8 o  345.244   3.1982  7568.01  140.188  7666.71  200.893  7474.34  195.721  347.437   4.5531  343.051   4.4926 4.385498 6.396468 
1 1 1   -5    5    9 o  718.199   5.7839 32775.95  527.504 32943.25  750.124 32612.27  741.950  720.010   8.2038  716.387   8.1555 3.622864 11.56782 
1 1 1   -5    5   10 o  1270.99   9.9429 102799.50  1604.82 103117.40  2278.04 102486.20  2261.18  1272.94   14.092  1269.05   14.031 3.889526 19.88586 
1 1 1   -5    5   11 o  243.330   2.7611  3754.90   85.199  3854.84  124.449  3666.74  116.885  246.372   3.9776  240.288   3.8305 6.084396 5.522109 
1 1 1   -5    5   12 o  510.372   6.1898 16546.30  401.181 16546.30  401.181   0.0000   0.0000  510.372   6.1898  ?   ?       ?      ? 
1 1 1   -5    5   13 o  1330.25   10.405 112597.90  1757.75 111999.40  2473.54 113208.50  2498.32  1326.68   14.682  1333.81   14.749 -7.128784 20.81093 
1 1 1   -5    5   14 o  565.491   4.7742 20309.37  342.812 19887.38  481.449 20743.36  488.241  559.533   6.7756  571.449   6.7279 -11.91638 9.548456 
1 1 1   -5    5   15 o  451.704   4.1475 12913.08  236.735 13408.43  355.545 12518.56  317.299  459.453   6.0936  443.956   5.6280 15.49677 8.294950 
1 1 1   -5    5   16 o  417.696   8.0962 11085.02  429.458 11085.02  429.458   0.0000   0.0000  417.696   8.0962  ?   ?       ?      ? 
1 1 1   -5    5   17 o  361.496   4.2379  8520.46  166.640  7873.96  331.880  8738.39  192.691  352.050   7.4233  370.942   4.0905 -18.89215 8.475747 
1 1 1   -5    5   18 o  124.024   5.5554  1022.03   62.966  913.978  156.462  1042.91   68.781  119.903   10.275  128.146   4.2266 -8.243256 11.11079 
1 1 1   -5    5   19 o  585.541   5.6894 21827.68  365.489 21731.38  732.677 21859.58  421.705  584.509   9.8706  586.574   5.6612 -2.064453 11.37884 
1 1 1   -5    5   20 o  116.266   5.7078  838.993   62.914  892.175  156.057  828.672   68.748  118.332   10.385  114.199   4.7405 4.133377 11.41569 
1 1 1   -5    5   21 o  322.641   4.0588  6623.43  139.324  6612.75  292.212  6626.57  158.501  322.341   7.1385  322.941   3.8648 -0.6004639 8.117547 
1 1 1   -5    5   22 o  312.775   4.1245  6308.65  136.643  6067.04  285.632  6380.35  155.604  308.683   7.2865  316.868   3.8669 -8.185303 8.248964 
1 1 1   -5    5   23 o  228.614   4.0789  3375.55   96.569  3238.53  208.124  3413.15  109.015  225.477   7.2685  231.751   3.7041 -6.274658 8.157889 
1 1 1   -5    5   24 o  128.772   6.0562  1100.87   87.414  966.135  163.792  1154.54  103.366  122.875   10.497  134.670   6.0441 -11.79525 12.11242 
1 1 1   -5    5   25 f   82.357   9.6888  473.380   78.547  398.187  168.663  494.204   88.760   76.723   17.675   87.991   7.9433 -11.26768 19.37753 
1 1 1   -5    5   26 o  125.384   6.4338  1069.20   80.500  905.118  175.936  1112.65   90.533  118.585   11.683  132.182   5.3933 -13.59756 12.86765 
1 1 1   -5    5   27 o   29.028   14.293 -409.9736   79.871 -384.3907  186.231 -415.7399   88.415   29.028   14.293  ?   ?       ?      ? 
1 1 1   -5    5   28 o  152.307   6.4464  1489.82   97.158  1487.86  224.201  1490.27  107.806  151.725   11.636  152.889   5.5525 -1.164047 12.89290 
1 1 1   -5    5   29 o  121.935   8.3589  1067.84  112.894  724.644  197.196  1235.16  137.691  105.055   14.781  138.814   7.8108 -33.75854 16.71778 
1 1 1   -5    5   30 o  102.944   9.9927  772.772  110.456  556.480  195.311  874.480  133.932   89.483   17.814  116.405   9.0601 -26.92282 19.98532 
1 1 1   -5    5   31 o   57.764   12.617  208.490  103.934  348.182  167.476  120.994  132.545   69.578   18.597   45.951   17.055 23.62668 25.23382 
1 1 1   -5    5   32 o  137.628   6.6478  1275.53  112.763  1055.78  171.213  1443.87  149.855  126.231   10.681  149.025   7.9183 -22.79414 13.29562 
1 1 1   -5    5   33 o   43.985   12.489   81.752  111.037  -6.6346  153.671  178.315  160.621   37.164   16.455   50.806   18.792 -13.64199 24.97754 
1 1 1   -5    5   34 f   46.459   17.750  149.673  145.880  149.673  145.880   0.0000   0.0000   46.459   17.750  ?   ?       ?      ? 
1 1 1   -5    7    1 o  335.743   3.1443  7149.33  133.961  6900.07  185.134  7423.27  194.082  329.609   4.4229  341.876   4.4703 -12.26712 6.288570 
1 1 1   -5    7    2 o  648.845   5.2769 26749.59  434.794 26635.67  612.213 26865.52  617.605  647.452   7.4459  650.237   7.4793 -2.785522 10.55374 
1 1 1   -5    7    3 o  548.215   4.5564 19030.14  316.496 18207.75  430.341 19999.03  467.100  535.362   6.3298  561.068   6.5557 -25.70679 9.112768 
1 1 1   -5    7    4 o  814.838   6.4972 42198.13  672.268 42515.96  957.587 41889.24  944.019  817.861   9.2198  811.816   9.1568 6.044678 12.99432 
1 1 1   -5    7    5 o  832.609   6.6283 43995.86  700.026 45407.99  1020.27 42739.77  962.250  845.201   9.5055  820.017   9.2403 25.18420 13.25666 
1 1 1   -5    7    6 f  1125.94   8.8307 80638.54  1262.63 80995.72  1793.71 80287.73  1777.66  1128.41   12.517  1123.48   12.460 4.933228 17.66138 
1 1 1   -5    7    7 o  966.192   7.6280 59315.75  935.488 60485.51  1348.68 58231.07  1298.70  975.355   10.888  957.029   10.686 18.32611 15.25597 
1 1 1   -5    7    8 o  404.071   3.5929 10369.90  184.364 10303.16  259.917 10437.48  261.550  402.763   5.0817  405.379   5.0806 -2.616791 7.185821 
1 1 1   -5    7    9 f  160.684   3.3148  1661.54   63.943  1709.15   79.126  1571.93  108.555  164.052   3.7981  157.316   5.4338 6.736359 6.629553 
1 1 1   -5    7   10 o  607.834   7.0621 23471.79  545.128   0.0000   0.0000 23471.79  545.128  ?   ?   607.834   7.0621      ?      ? 
1 1 1   -5    7   11 o  236.584   2.8432  3558.36   85.280  3480.10  123.440  3629.83  117.956  234.091   4.1523  239.076   3.8851 -4.985153 5.686487 
1 1 1   -5    7   12 f  427.844   3.8151 11626.99  207.262 11545.55  294.615 11706.79  291.634  426.359   5.4413  429.328   5.3490 -2.968872 7.630142 
1 1 1   -5    7   14 o  283.727   4.4901  5112.44  161.784   0.0000   0.0000  5112.44  161.784  ?   ?   283.727   4.4901      ?      ? 
1 1 1   -5    7   15 o  959.716   7.6330 58545.02  930.210 58822.07  1325.01 58275.77  1306.22  961.950   10.846  957.483   10.743 4.467041 15.26595 
1 1 1   -5    7   16 o  390.368   3.8173  9646.45  187.699  9926.64  286.010  9434.49  248.762  395.324   5.6971  385.413   5.0825 9.910889 7.634699 
1 1 1   -5    7   17 o  341.297   3.6280  7385.86  155.315  7481.06  239.865  7317.13  203.811  343.179   5.5039  339.416   4.7284 3.762939 7.256076 
1 1 1   -5    7   18 o  134.637   4.8298  1016.70   55.488  1344.89  164.401  974.508   58.947  145.408   8.9030  123.866   3.7474 21.54221 9.659565 
1 1 1   -5    7   19 o  151.150   4.2598  1311.03   59.114  1665.84  158.953  1254.08   63.681  161.797   7.7361  140.504   3.5690 21.29372 8.519650 
1 1 1   -5    7   20 o   41.609   9.7050  105.944   44.610   45.585  142.955  112.455   46.955   42.022   17.088   41.196   9.2069 0.8263359 19.41005 
1 1 1   -5    7   21 o  342.482   4.1208  7318.93  146.006  7708.13  322.533  7218.62  163.744  347.923   7.2998  337.042   3.8256 10.88132 8.241558 
1 1 1   -5    7   22 o  185.953   4.1343  2198.18   74.397  2203.47  177.230  2197.05   81.968  185.962   7.5048  185.945   3.4712 0.1684570E-01 8.268675 
1 1 1   -5    7   23 o  236.040   4.0540  3596.37   95.018  3465.12  216.781  3627.59  105.713  233.162   7.3213  238.917   3.4842 -5.755325 8.108067 
1 1 1   -5    7   24 o  247.924   4.2939  3818.00  114.950  4100.22  240.182  3734.15  130.917  253.525   7.4600  242.322   4.2543 11.20284 8.587845 
1 1 1   -5    7   25 o   68.639   9.5053  265.735   59.684  382.917  160.302  246.876   64.308   75.129   17.176   62.149   8.1481 12.98070 19.01055 
1 1 1   -5    7   26 o   38.688   10.533   75.028   65.334 -77.4599  170.372  101.318   70.742   37.571   16.929   39.805   12.537 -2.233677 21.06590 
1 1 1   -5    7   27 o  186.885   5.3616  2356.21   95.559  2050.65  223.112  2424.85  105.750  178.582   9.8380  195.187   4.2663 -16.60556 10.72324 
1 1 1   -5    7   28 o   67.586   11.774  289.604   87.206  356.758  186.813  270.893   98.609   71.683   19.845   63.490   12.674 8.193825 23.54707 
1 1 1   -5    7   29 o  132.321   6.7806  1099.52   94.748  1190.04  204.150  1074.66  106.966  135.072   11.902  129.570   6.5008 5.502579 13.56129 
1 1 1   -5    7   30 o   39.255   11.813   41.343   75.226   2.1113  211.993   46.994   80.463   45.196   19.689   33.315   13.059 11.88086 23.62623 
1 1 1   -5    7   31 o   25.281   8.9511 -199.4550   79.530 -322.7257  193.798 -174.4912   87.212   30.619   14.974   19.942   9.8118 10.67648 17.90229 
1 1 1   -5    7   32 o  ?   ?  -750.1439  142.727 -838.4014  233.400 -697.4264  180.385  ?   ?   ?   ?       ?      ? 
1 1 1   -5    7   33 o   64.718   17.881  331.635  151.841  331.635  151.841   0.0000   0.0000   64.718   17.881  ?   ?       ?      ? 
1 1 1   -5    9    1 o  367.132   3.3640  8553.57  156.769  8328.01  217.753  8796.28  225.880  362.112   4.7353  372.153   4.7795 -10.04034 6.727984 
1 1 1   -5    9    2 o  1021.90   8.0468 66306.44  1043.10 68335.26  1519.03 64496.10  1434.90  1036.65   11.539  1007.15   11.219 29.50085 16.09363 
1 1 1   -5    9    3 o  961.034   7.5898 58683.16  925.852 59817.67  1334.21 57629.43  1285.84  969.977   10.831  952.092   10.635 17.88489 15.17952 
1 1 1   -5    9    4 o  433.069   3.7928 11910.70  208.574 11765.89  292.898 12059.69  297.083  430.398   5.3588  435.739   5.3688 -5.340271 7.585545 
1 1 1   -5    9    5 o  505.174   4.2792 16210.29  274.523 16143.34  387.061 16278.06  389.418  504.125   6.0459  506.224   6.0575 -2.098846 8.558453 
1 1 1   -5    9    6 o  326.244   3.1652  6759.36  131.128  6652.59  184.839  6867.54  186.052  323.650   4.4972  328.838   4.4553 -5.187744 6.330424 
1 1 1   -5    9    7 o  439.889   5.4372 12290.30  303.736   0.0000   0.0000 12290.30  303.736  ?   ?   439.889   5.4372      ?      ? 
1 1 1   -5    9    8 o  238.643   4.0744  3616.70  123.479  3616.70  123.479   0.0000   0.0000  238.643   4.0744  ?   ?       ?      ? 
1 1 1   -5    9    9 o  222.837   3.9522  3153.43  111.842   0.0000   0.0000  3153.43  111.842  ?   ?   222.837   3.9522      ?      ? 
1 1 1   -5    9   10 o  988.668   11.066 62133.64  1389.38   0.0000   0.0000 62133.64  1389.38  ?   ?   988.668   11.066      ?      ? 
1 1 1   -5    9   11 o  755.101   6.0999 36225.51  584.906 35971.85  822.300 36485.28  832.153  752.427   8.6057  757.776   8.6474 -5.348267 12.19984 
1 1 1   -5    9   12 o  405.444   3.7978 10432.70  195.399 10637.42  282.864 10245.84  270.240  409.244   5.4427  401.644   5.2982 7.600067 7.595698 
1 1 1   -5    9   13 o  773.295   6.2419 37996.95  612.940 38186.60  871.873 37811.62  861.869  775.201   8.8565  771.390   8.7981 3.811646 12.48375 
1 1 1   -5    9   14 o  315.115   3.3078  6278.15  131.814  6602.86  197.415  6016.92  177.065  322.431   4.8213  307.797   4.5299 14.63409 6.615534 
1 1 1   -5    9   15 o  114.674   4.3404  845.312   60.616  799.450   99.766  872.148   76.317  112.170   7.0037  117.177   5.1286 -5.007362 8.680734 
1 1 1   -5    9   16 o  542.831   4.6324 18716.98  319.246 18250.54  445.169 19210.86  458.073  535.873   6.5416  549.789   6.5609 -13.91644 9.264863 
1 1 1   -5    9   17 o  114.917   4.6409  857.760   61.559  796.040  111.772  884.634   73.753  111.849   7.8690  117.985   4.9224 -6.135979 9.281803 
1 1 1   -5    9   18 o  224.419   4.2217  3200.50  120.317   0.0000   0.0000  3200.50  120.317  ?   ?   224.419   4.2217      ?      ? 
1 1 1   -5    9   19 o   92.132   5.7057  498.213   60.251  641.388  118.988  448.844   69.871  100.281   9.3435   83.984   6.5512 16.29672 11.41134 
1 1 1   -5    9   20 o  178.936   4.5560  2088.20   70.767  1969.46  189.580  2107.43   76.280  175.748   8.4942  182.123   3.2981 -6.374832 9.112064 
1 1 1   -5    9   21 o  227.943   3.9328  3254.14   87.130  3386.94  208.347  3225.99   95.920  230.568   7.1156  225.318   3.3522 5.250687 7.865695 
1 1 1   -5    9   22 o  187.434   4.4513  2274.14   75.861  2185.05  193.118  2290.39   82.492  185.029   8.2188  189.840   3.4217 -4.811096 8.902606 
1 1 1   -5    9   23 o   40.217   10.423   80.111   47.579   69.410  156.852   81.195   49.932   45.118   18.056   35.316   10.419 9.801907 20.84675 
1 1 1   -5    9   24 o   94.573   7.7440  627.543   58.401  508.897  165.225  644.483   62.431   88.525   14.697  100.621   4.8858 -12.09599 15.48795 
1 1 1   -5    9   25 o   54.411   20.034 -223.8431   67.249  162.388  182.201 -284.7575   72.358   54.411   20.034  ?   ?       ?      ? 
1 1 1   -5    9   26 o  137.734   6.8603  1451.98   74.964  936.687  199.680  1536.53   80.880  120.084   13.094  155.384   4.0988 -35.30006 13.72052 
1 1 1   -5    9   27 o   47.175   12.098  103.882   61.752  163.881  203.646   97.807   64.803   55.554   21.032   38.796   11.964 16.75817 24.19635 
1 1 1   -5    9   28 o   52.974   11.519  156.906   60.454  227.933  183.346  148.242   64.035   59.096   20.264   46.853   10.958 12.24299 23.03701 
1 1 1   -5    9   29 o   82.274   11.077  537.544   68.736  370.793  207.347  558.131   72.855   71.263   21.283   93.285   6.1499 -22.02232 22.15356 
1 1 1   -5    9   30 o   42.469   12.926   15.594  130.664 -127.6469  215.458   98.921  164.332   39.011   18.115   45.927   18.445 -6.915508 25.85291 
1 1 1   -5    9   31 o   27.774   9.8223 -507.4570  142.839 -305.9940  201.061 -712.7477  202.963   31.352   15.316   24.196   12.302 7.156002 19.64455 
1 1 1   -5    9   32 o   55.882   19.213  247.847  164.868   0.0000   0.0000  247.847  164.868  ?   ?    55.882   19.213      ?      ? 
1 1 1   -5   11    1 o  215.574   2.9913  2953.10   81.836  2848.27  116.252  3056.09  115.222  211.778   4.3226  219.370   4.1360 -7.591415 5.982561 
1 1 1   -5   11    2 o  443.299   5.5744 12481.31  313.816 12481.31  313.816   0.0000   0.0000  443.299   5.5744  ?   ?       ?      ? 
1 1 1   -5   11    3 o  740.810   5.9910 34833.07  563.217 33960.10  778.893 35789.75  815.378  731.097   8.3893  750.523   8.5549 -19.42657 11.98195 
1 1 1   -5   11    4 o  278.567   4.4312  4928.15  156.758   0.0000   0.0000  4928.15  156.758  ?   ?   278.567   4.4312      ?      ? 
1 1 1   -5   11    5 f  658.464   7.6280 27545.06  637.856   0.0000   0.0000 27545.06  637.856  ?   ?   658.464   7.6280      ?      ? 
1 1 1   -5   11    6 o  463.320   4.1078 13634.43  241.694 13525.08  341.328 13744.40  342.288  461.456   5.8246  465.184   5.7942 -3.727112 8.215695 
1 1 1   -5   11    7 o  825.069   6.6158 43258.00  693.165 43439.69  984.662 43079.50  975.963  826.785   9.3781  823.353   9.3340 3.431824 13.23155 
1 1 1   -5   11    8 f  731.627   5.9406 33950.98  551.268 32865.40  757.044 35176.38  804.323  719.206   8.2888  744.049   8.5124 -24.84302 11.88126 
1 1 1   -5   11    9 o  187.361   3.2446  2231.07   77.069  2199.37  111.861  2259.72  106.334  186.092   4.7334  188.631   4.4390 -2.538544 6.489170 
1 1 1   -5   11   10 o  1345.11   10.518 115140.00  1796.59 114303.50  2522.85 116000.60  2559.07  1340.17   14.824  1350.06   14.926 -9.891113 21.03648 
1 1 1   -5   11   11 o  579.155   4.8590 21308.56  357.359 21119.56  503.636 21500.20  507.147  576.568   6.8784  581.742   6.8648 -5.173157 9.717899 
1 1 1   -5   11   12 o  564.202   4.7625 20224.26  341.216 20070.73  480.313 20380.69  484.824  562.041   6.7294  566.363   6.7408 -4.322693 9.524908 
1 1 1   -5   11   13 o  110.749   4.0221  773.361   56.192  829.144   85.562  731.054   74.513  114.231   5.8982  107.267   5.4700 6.964172 8.044257 
1 1 1   -5   11   14 o  331.696   3.3647  6992.06  141.604  6961.42  204.420  7020.33  196.340  330.992   4.8633  332.400   4.6513 -1.407867 6.729454 
1 1 1   -5   11   15 o  427.545   3.8947 11622.64  211.437 11514.10  300.433 11729.15  297.621  425.562   5.5591  429.528   5.4563 -3.965942 7.789397 
1 1 1   -5   11   16 o  296.421   3.2349  5589.27  121.642  5304.66  172.324  5871.94  171.732  288.886   4.6972  303.957   4.4490 -15.07098 6.469740 
1 1 1   -5   11   17 o  269.291   3.2014  4619.53  109.243  4385.29  156.980  4839.49  152.121  262.646   4.7065  275.936   4.3411 -13.29083 6.402845 
1 1 1   -5   11   18 o  159.813   3.7414  1664.25   71.926  1493.69  119.726  1760.57   89.971  153.202   6.1538  166.425   4.2570 -13.22240 7.482780 
1 1 1   -5   11   19 o  265.556   3.3133  4454.14  109.876  4646.45  173.430  4325.19  142.014  270.280   5.0528  260.832   4.2874 9.448761 6.626640 
1 1 1   -5   11   20 o  318.063   3.5395  6429.70  141.186  6474.31  217.862  6397.40  185.381  318.966   5.3785  317.159   4.6027 1.806915 7.079021 
1 1 1   -5   11   21 o  179.437   4.6488  2114.36   72.383  1967.65  193.237  2138.31   78.067  175.455   8.6726  183.420   3.3515 -7.965210 9.297656 
1 1 1   -5   11   22 o  226.247   4.1583  3239.46   88.914  3295.20  218.930  3228.45   97.300  227.138   7.5899  225.355   3.3999 1.783707 8.316647 
1 1 1   -5   11   23 o  180.328   5.1868  2112.51   78.522  2030.73  219.576  2124.50   84.082  177.876   9.7206  182.780   3.6224 -4.904526 10.37357 
1 1 1   -5   11   24 o  266.876   4.5540  4569.45  116.294  4511.95  279.703  4581.46  127.871  265.383   8.2994  268.368   3.7520 -2.985443 9.108091 
1 1 1   -5   11   25 o   82.129   10.164  443.508   58.258  455.989  198.077  442.326   60.954   80.996   19.493   83.261   5.7648 -2.264992 20.32734 
1 1 1   -5   11   26 o  102.132   7.6485  730.873   60.474  607.630  177.572  747.042   64.318   96.010   14.564  108.254   4.6786 -12.24430 15.29697 
1 1 1   -5   11   27 o  100.201   7.6139  337.719   56.981  1189.83  230.443  282.227   58.807  134.104   13.531   66.299   6.9846 67.80409 15.22782 
1 1 1   -5   11   28 o   76.636   13.136  418.236  125.363  488.453  194.805  368.602  163.783   81.869   19.089   71.403   18.052 10.46667 26.27270 
1 1 1   -5   11   29 o   26.467   13.231 -454.0951  184.608   0.0000   0.0000 -454.0951  184.608  ?   ?    26.467   13.231      ?      ? 
1 1 1   -5   13    1 o  540.571   4.5999 18561.62  315.752 18668.17  449.902 18458.19  443.253  542.098   6.5353  539.043   6.4752 3.055115 9.199848 
1 1 1   -5   13    2 o  359.382   4.3158  8169.83  184.299  8301.25  325.255  8107.68  223.671  361.477   7.0854  357.287   4.9296 4.189697 8.631598 
1 1 1   -5   13    3 o  148.610   3.6439  1410.83   68.278  1320.61  100.802  1487.31   92.811  144.192   5.5049  153.028   4.7758 -8.836304 7.287833 
1 1 1   -5   13    4 o  551.333   4.6596 19307.92  326.204 19466.20  465.498 19155.20  457.257  553.552   6.6219  549.115   6.5572 4.436951 9.319145 
1 1 1   -5   13    5 o  176.960   3.3186  1986.58   74.509  2040.66  108.196  1937.81  102.758  179.247   4.7531  174.673   4.6325 4.574249 6.637192 
1 1 1   -5   13    6 o  606.677   5.0511 23374.91  389.003 23772.12  559.583 23003.44  541.147  611.658   7.2041  601.695   7.0821 9.963318 10.10220 
1 1 1   -5   13    7 o  637.438   6.4826 25558.52  488.457 25093.53  588.605 26587.03  875.402  628.375   7.3761  646.500   10.663 -18.12500 12.96522 
1 1 1   -5   13    8 o  418.306   3.8487 11114.32  204.399 11234.21  292.826 11000.40  285.443  420.504   5.4836  416.108   5.4018 4.395233 7.697306 
1 1 1   -5   13    9 o  520.362   4.4694 17178.92  295.015 16554.40  405.666 17879.98  429.809  510.347   6.2593  530.376   6.3814 -20.02887 8.938716 
1 1 1   -5   13   10 o  184.146   3.1821  2152.88   74.376  2207.23  107.269  2102.56  103.215  186.382   4.5320  181.911   4.4679 4.471115 6.364105 
1 1 1   -5   13   11 o  358.000   3.4992  8139.25  158.952  8301.53  230.455  7992.00  219.526  361.396   5.0214  354.604   4.8749 6.791199 6.998499 
1 1 1   -5   13   12 o  262.049   3.1989  4367.17  106.371  4276.53  152.478  4453.10  148.465  259.393   4.6288  264.705   4.4166 -5.312378 6.397816 
1 1 1   -5   13   13 o   79.142   5.4051  391.631   53.223  520.215   80.913  293.570   70.660   90.402   7.0480   67.882   8.1968 22.52030 10.81023 
1 1 1   -5   13   14 o  382.435   3.6413  9298.26  176.785  9369.81  253.720  9230.74  246.460  383.859   5.2048  381.012   5.0937 2.847656 7.282552 
1 1 1   -5   13   15 o  216.335   3.0808  2975.46   84.524  2967.39  122.673  2982.76  116.626  216.049   4.4711  216.621   4.2395 -0.5719604 6.161538 
1 1 1   -5   13   16 o   76.697   5.3837  370.799   52.087  411.169   79.477  340.404   68.962   80.309   7.7929   73.086   7.4302 7.223602 10.76736 
1 1 1   -5   13   17 o  212.883   3.1419  2877.50   84.379  2918.27  127.240  2845.49  112.733  214.210   4.6774  211.555   4.1961 2.654861 6.283765 
1 1 1   -5   13   18 o  201.894   3.2807  2584.47   82.883  2640.88  129.352  2545.18  107.957  203.728   4.9997  200.060   4.2493 3.668137 6.561496 
1 1 1   -5   13   19 o  237.986   5.0653  3605.00  153.085  3605.00  153.085   0.0000   0.0000  237.986   5.0653  ?   ?       ?      ? 
1 1 1   -5   13   20 o  131.492   4.5879  1123.07   70.103  1051.70  126.067  1155.02   84.347  128.288   7.7382  134.697   4.9310 -6.409286 9.175759 
1 1 1   -5   13   21 o  427.596   5.6249 11652.55  305.440   0.0000   0.0000 11652.55  305.440  ?   ?   427.596   5.6249      ?      ? 
1 1 1   -5   13   22 o  169.922   5.7234  1749.23   71.718  1975.92  241.632  1727.33   75.103  175.048   10.870  164.796   3.5887 10.25249 11.44682 
1 1 1   -5   13   23 o  206.429   4.6213  2790.57   83.664  2629.30  221.077  2817.53   90.387  202.387   8.6017  210.472   3.3817 -8.085007 9.242567 
1 1 1   -5   13   24 o   63.554   10.400  351.599   49.212  118.805  191.504  368.059   50.922   51.162   20.118   75.946   5.2799 -24.78310 20.79931 
1 1 1   -5   13   25 o   53.188   8.9401  282.360   47.495 -134.0807  188.459  310.603   49.079   36.675   16.999   69.701   5.5447 -33.02640 17.88011 
1 1 1   -5   13   26 f   44.297   16.574  110.287  125.653   0.0000   0.0000  110.287  125.653  ?   ?    44.297   16.574      ?      ? 
1 1 1   -5   15    1 o  424.165   3.8885 11439.03  209.446 11314.44  296.549 11563.04  295.855  421.857   5.5354  426.474   5.4627 -4.616455 7.777058 
1 1 1   -5   15    2 o  221.994   3.2308  3133.08   90.757  3118.31  133.967  3145.61  123.385  221.502   4.7626  222.486   4.3670 -0.9846344 6.461657 
1 1 1   -5   15    3 o  486.828   4.2814 15070.75  264.669 14830.48  372.061 15316.88  376.577  482.899   6.0671  490.757   6.0424 -7.858276 8.562709 
1 1 1   -5   15    4 o  192.133   3.9908  2353.10   94.317  2370.88  119.606  2323.88  153.371  193.130   4.8767  191.137   6.3186 1.992722 7.981666 
1 1 1   -5   15    5 o  201.813   3.2444  2590.69   82.954  2556.62  121.102  2620.80  113.863  200.554   4.7549  203.071   4.4153 -2.516571 6.488732 
1 1 1   -5   15    6 o  346.419   3.4610  7629.49  152.231  7453.47  215.179  7805.86  215.394  342.414   4.9485  350.424   4.8402 -8.009888 6.922060 
1 1 1   -5   15    7 o  252.022   3.2006  4036.55  102.296  4047.48  148.677  4026.73  140.966  252.340   4.6396  251.705   4.4101 0.6346893 6.401137 
1 1 1   -5   15    8 o  178.840   3.3382  2025.52   75.642  2146.57  111.682  1922.92  102.815  183.755   4.7859  173.925   4.6550 9.830475 6.676367 
1 1 1   -5   15    9 o  146.905   3.5990  1370.61   66.706  1386.58  100.483  1358.02   89.196  147.658   5.3587  146.152   4.8058 1.506073 7.197978 
1 1 1   -5   15   10 o   87.848   5.3050  496.337   58.568  448.580   86.574  536.639   79.530   83.890   8.1265   91.807   6.8214 -7.917542 10.60995 
1 1 1   -5   15   11 o  339.934   3.4499  7347.35  148.818  7372.69  214.799  7323.96  206.373  340.489   4.9677  339.380   4.7884 1.108612 6.899742 
1 1 1   -5   15   12 o  107.411   4.4750  742.982   60.330  638.134   87.578  837.675   83.228  100.090   6.8901  114.733   5.7122 -14.64310 8.950044 
1 1 1   -5   15   13 o  111.561   4.2334  788.667   59.832  863.005   87.961  724.654   81.625  116.432   5.9489  106.689   6.0246 9.743797 8.466741 
1 1 1   -5   15   14 o  261.966   3.2510  4364.96  108.149  4309.27  152.860  4420.78  153.032  260.291   4.6244  263.642   4.5708 -3.351257 6.502100 
1 1 1   -5   15   15 o  289.030   3.3233  5314.34  121.785  5321.23  177.363  5308.20  167.518  289.191   4.8295  288.868   4.5665 0.3226929 6.646556 
1 1 1   -5   15   16 o  217.909   3.2424  3020.15   89.594  3042.69  130.522  3000.07  123.203  218.666   4.7003  217.152   4.4677 1.514114 6.484807 
1 1 1   -5   15   17 o   80.955   5.9970  413.171   61.166  490.308   92.828  353.981   81.315   87.543   8.3498   74.366   8.6103 13.17718 11.99401 
1 1 1   -5   15   18 o  177.020   4.0172  2009.74   89.719  1791.41  129.027  2214.13  124.839  167.607   6.0620  186.433   5.2729 -18.82597 8.034365 
1 1 1   -5   15   19 o   83.380   8.1503  523.582   72.145  280.277  117.526  670.707   91.390   64.313   14.709  102.448   7.0246 -38.13487 16.30063 
1 1 1   -5   15   20 o  203.569   3.7613  2618.26   93.279  2724.86  157.158  2560.28  115.903  206.630   5.9891  200.508   4.5518 6.122314 7.522570 
1 1 1   -5   15   21 o  200.695   3.9130  2579.96   94.957  2538.84  160.414  2602.14  117.816  199.302   6.3380  202.087   4.5908 -2.785049 7.825948 
1 1 1   -5   15   22 o  196.206   4.0971  2505.78   93.838  2343.43  167.295  2580.31  113.348  191.217   6.8894  201.196   4.4363 -9.979477 8.194128 
1 1 1   -5   15   23 o  200.452   4.3264  2563.15  110.132   0.0000   0.0000  2563.15  110.132  ?   ?   200.452   4.3264      ?      ? 
1 1 1   -5   17    1 o  183.005   3.5697  2139.97   82.160  2053.69  123.735  2208.02  109.879  179.667   5.4231  186.344   4.6433 -6.677109 7.139302 
1 1 1   -5   17    2 o  285.015   3.3696  5166.79  121.597  5154.26  178.911  5177.55  165.769  284.677   4.9489  285.353   4.5745 -0.6767273 6.739242 
1 1 1   -5   17    3 o  140.907   4.1082  1275.02   72.374  1191.64  110.513  1337.63   95.769  136.804   6.3612  145.009   5.2006 -8.204514 8.216473 
1 1 1   -5   17    4 o  203.804   3.4138  2648.40   88.072  2538.24  128.120  2747.10  121.267  199.760   5.0505  207.848   4.5943 -8.088058 6.827518 
1 1 1   -5   17    5 o  102.293   5.1745  667.583   66.822  661.016   99.819  672.915   89.951  101.815   7.7202  102.771   6.8922 -0.9564972 10.34904 
1 1 1   -5   17    6 o  199.776   3.5053  2539.47   88.380  2532.29  132.460  2545.24  118.652  199.501   5.2283  200.051   4.6704 -0.5500031 7.010575 
1 1 1   -5   17    7 o  257.574   3.9869  4251.95  126.403  4345.68  161.100  4101.82  203.884  261.374   4.8535  253.774   6.3264 7.599777 7.973703 
1 1 1   -5   17    8 o  217.475   3.4249  2993.96   94.157  3157.69  141.385  2863.47  126.218  222.779   4.9975  212.172   4.6844 10.60654 6.849709 
1 1 1   -5   17    9 o  229.523   3.4176  3351.06   99.389  3361.21  145.642  3342.22  135.970  229.832   4.9900  229.213   4.6712 0.6197510 6.835178 
1 1 1   -5   17   10 o  195.235   3.5252  2447.15   86.630  2174.20  126.110  2691.04  119.208  184.800   5.3737  205.671   4.5641 -20.87056 7.050345 
1 1 1   -5   17   11 o   75.788   6.6126  364.546   63.318  419.082   94.404  319.951   85.367   80.905   9.1884   70.671   9.5120 10.23434 13.22514 
1 1 1   -5   17   12 o  127.691   4.3731  1050.84   70.109  934.371  103.350  1150.12   95.422  121.018   6.7248  134.363   5.5923 -13.34516 8.746262 
1 1 1   -5   17   13 o  289.338   3.4327  5316.58  125.830  5511.63  185.657  5150.86  171.131  294.216   4.9690  284.460   4.7373 9.756195 6.865320 
1 1 1   -5   17   14 o  230.049   5.6971  3373.28  166.439  3373.28  166.439   0.0000   0.0000  230.049   5.6971  ?   ?       ?      ? 
1 1 1   -5   17   15 o   37.514   10.832 -113.0306   92.951 -265.4357  115.580  166.018  156.395   22.165   10.977   52.863   18.677 -30.69844 21.66409 
1 1 1   -5   17   16 f  199.845   5.6612  2490.82  109.383  2664.23  264.618  2455.08  120.126  203.371   10.246  196.320   4.8183 7.050522 11.32236 
1 1 1   -5   17   17 o  123.889   4.4884  975.021   69.931  1019.25  107.598  942.676   92.014  126.263   6.7104  121.515   5.9628 4.748001 8.976875 
1 1 1   -5   17   18 o  144.813   4.2882  1332.24   77.045  1377.26  123.773  1303.76   98.442  146.705   6.6436  142.922   5.4238 3.783264 8.576406 
1 1 1   -5   17   19 o  307.107   3.5404  6015.70  137.664  6070.70  203.111  5968.96  187.229  308.347   5.1870  305.867   4.8202 2.479126 7.080888 
1 1 1   -5   17   20 o  138.019   4.9058  1290.76   78.488  1047.83  135.566  1413.25   96.263  127.336   8.3834  148.702   5.0976 -21.36520 9.811595 
1 1 1   -5   17   21 o  155.047   8.9948  1565.08  177.105  1565.08  177.105   0.0000   0.0000  155.047   8.9948  ?   ?       ?      ? 
1 1 1   -5   19    1 o  268.102   3.5603  4580.88  120.868  4518.31  177.133  4635.38  165.342  266.357   5.2367  269.846   4.8249 -3.489655 7.120586 
1 1 1   -5   19    2 o  202.571   3.7873  2593.35   96.713  2776.33  147.751  2456.17  127.928  208.748   5.5735  196.394   5.1293 12.35382 7.574570 
1 1 1   -5   19    3 o   93.275   6.9533  587.593   78.062  416.059  118.062  720.836  104.054   80.353   11.570  106.198   7.7155 -25.84464 13.90656 
1 1 1   -5   19    4 o  252.507   3.5429  4049.35  113.390  4224.58  166.730  3898.56  154.664  257.564   5.0974  247.450   4.9218 10.11368 7.085751 
1 1 1   -5   19    5 o  314.783   5.2354  6311.47  209.284  6311.47  209.284   0.0000   0.0000  314.783   5.2354  ?   ?       ?      ? 
1 1 1   -5   19    6 o  362.890   5.5759  8392.14  256.963  8392.14  256.963   0.0000   0.0000  362.890   5.5759  ?   ?       ?      ? 
1 1 1   -5   19    7 o  319.182   3.9110  6240.34  155.200  4877.87  199.332  8337.85  247.324  276.628   5.6742  361.737   5.3839 -85.10852 7.821924 
1 1 1   -5   19    8 o  209.092   5.7793  2787.85  153.459   0.0000   0.0000  2787.85  153.459  ?   ?   209.092   5.7793      ?      ? 
1 1 1   -5   19    9 o   51.854   11.066  179.517   79.747  143.712  120.593  207.343  106.310   48.320   16.435   55.387   14.822 -7.067085 22.13170 
1 1 1   -5   19   10 o  162.337   5.0107  1662.91  102.289  1538.02  133.828  1838.39  158.632  155.147   6.7925  169.528   7.3684 -14.38116 10.02149 
1 1 1   -5   19   11 f  326.480   3.6914  6797.77  152.889  6720.94  220.588  6868.80  212.096  324.671   5.3501  328.288   5.0874 -3.616943 7.382788 
1 1 1   -5   19   12 o  379.322   5.5035  9179.46  265.110  9179.46  265.110   0.0000   0.0000  379.322   5.5035  ?   ?       ?      ? 
1 1 1   -5   19   13 o   38.481   10.409   65.156   73.657   7.0523  112.979  108.111   97.141   34.557   14.703   42.406   14.738 -7.848949 20.81765 
1 1 1   -5   19   14 o  169.025   4.1634  1832.57   89.034  1725.79  129.078  1929.49  122.970  164.252   6.1882  173.797   5.5716 -9.544983 8.326832 
1 1 1   -5   19   15 o  165.965   4.0536  1754.56   84.697  1815.08  129.451  1709.26  111.994  168.387   6.0537  163.542   5.3925 4.845245 8.107145 
1 1 1   -5   19   16 o   87.798   6.4539  507.770   69.553  467.193  111.183  533.860   89.152   84.605   10.348   90.991   7.7154 -6.385422 12.90778 
1 1 1   -5   19   17 o   28.601   9.2255 -103.6586   77.377   15.629  116.805 -196.9432  103.293   35.190   14.960   22.013   10.800 13.17702 18.45107 
1 1 1   -5   19   18 o   85.394   11.722  486.694  127.113  486.694  127.113   0.0000   0.0000   85.394   11.722  ?   ?       ?      ? 
1 1 1   -5   21    1 f  186.464   4.2488  2222.45  100.102  2216.45  149.130  2227.37  135.045  186.174   6.3077  186.754   5.6942 -0.5797882 8.497683 
1 1 1   -5   21    2 o  112.333   6.0828  829.791   84.609  708.336  128.732  922.157  112.262  104.740   9.6782  119.926   7.3713 -15.18602 12.16566 
1 1 1   -5   21    3 o  112.916   5.9231  822.301   84.416  797.272  125.405  843.040  114.152  111.252   8.8762  114.580   7.8451 -3.327713 11.84621 
1 1 1   -5   21    4 o  125.101   5.7538  1012.20   90.676  947.795  134.364  1066.06  122.874  121.310   8.7219  128.892   7.5069 -7.582214 11.50755 
1 1 1   -5   21    5 o   49.406   11.595  152.268   84.885  196.511  129.433  118.878  112.444   54.113   16.944   44.698   15.832 9.415089 23.18957 
1 1 1   -5   21    6 o  177.950   4.3941  2018.89   98.731  2094.37  148.872  1959.62  131.915  180.847   6.4822  175.053   5.9340 5.794693 8.788145 
1 1 1   -5   21    7 o   76.815   8.6483  384.974   81.432  483.164  123.695  309.867  108.183   86.051   11.319   67.579   13.079 18.47185 17.29666 
1 1 1   -5   21    8 o  126.641   5.7705  1049.60   91.325  909.722  135.514  1165.98  123.611  118.586   8.9985  134.696   7.2264 -16.10948 11.54102 
1 1 1   -5   21    9 o  246.104   3.8273  3886.72  119.213  3652.79  172.211  4101.96  165.192  238.880   5.6768  253.327   5.1349 -14.44719 7.654604 
1 1 1   -5   21   10 o   56.277   10.562  225.079   77.422  179.821  118.560  258.727  102.228   51.346   16.237   61.208   13.513 -9.861774 21.12419 
1 1 1   -5   21   11 o   48.980   10.475  166.994   75.772   77.870  117.404  230.619   99.197   40.433   15.795   57.526   13.763 -17.09356 20.95012 
1 1 1   -5   21   12 o  102.696   6.6597  690.318   86.002  690.795  130.990  689.958  114.018  102.509   10.062  102.883   8.7267 -0.3737869 13.31942 
1 1 1   -5   21   13 o   42.375   11.698   49.739  101.751  191.721  145.650 -85.6078  142.206   52.531   18.058   32.218   14.874 20.31329 23.39533 
1 1 1   -5   21   14 o  251.269   5.6200  4103.35  178.532  3942.66  239.623  4303.84  267.661  245.998   7.6704  256.540   8.2158 -10.54140 11.23991 
1 1 1   -5   21   15 o   45.460   18.361  107.865  163.834  107.865  163.834   0.0000   0.0000   45.460   18.361  ?   ?       ?      ? 
1 1 1   -5   23    1 o  246.243   4.8756  4006.19  147.292  2829.27  207.441  5202.84  209.173  208.311   7.8416  284.175   5.7962 -75.86353 9.751234 
1 1 1   -5   23    2 o  216.564   7.8486  3058.66  215.853  3058.66  215.853   0.0000   0.0000  216.564   7.8486  ?   ?       ?      ? 
1 1 1   -5   23    3 o  259.609   6.4410  4358.74  212.348  4358.74  212.348   0.0000   0.0000  259.609   6.4410  ?   ?       ?      ? 
1 1 1   -5   23    5 o   28.787   13.810 -394.9880  111.591 -710.6505  173.677 -173.0470  145.629  ?   ?    28.787   13.810      ?      ? 
1 1 1   -5   23    6 o   84.551   10.712  546.487  105.340  382.642  167.661  653.347  135.402   70.512   18.494   98.591   10.815 -28.07858 21.42430 
1 1 1   -5   23    7 o   51.203   11.572  180.713   92.634  292.379  132.142   72.813  129.895   62.379   16.447   40.027   16.284 22.35218 23.14412 
1 1 1   -5   23    8 o   78.949   9.9191  454.153   94.850  333.944  135.894  568.342  132.447   66.592   16.220   91.306   11.423 -24.71313 19.83825 
1 1 1   -5   23    9 o   35.719   11.451 -70.6959  115.496   56.204  170.544 -178.2010  156.971   41.808   17.932   29.630   14.246 12.17806 22.90251 
1 1 1   -5   23   10 o  138.939   6.9265  1301.45  121.870  1320.12  179.604  1285.51  165.910  139.574   10.133  138.304   9.4463 1.270432 13.85305 
1 1 1   -5   23   11 o   75.735   11.409  438.240  106.323  509.715  157.113  377.850  144.416   81.931   15.671   69.538   16.586 12.39320 22.81866 
1 1 1   -5   23   12 o   68.569   17.660  383.030  154.709  383.030  154.709   0.0000   0.0000   68.569   17.660  ?   ?       ?      ? 
1 1 1   -4    0    4 o  698.421   5.6389 30993.02  707.098 30993.02  707.098 30993.02  707.098  698.421   7.9747  698.421   7.9747 -0.000000 0.000000 
1 1 1   -4    0    5 o  885.550   7.0285 49833.59  1117.49 49833.59  1117.49 49833.59  1117.49  885.550   9.9398  885.550   9.9398 -0.000000 0.000000 
1 1 1   -4    0    6 o   79.826   4.6924  413.017   66.201  413.017   66.201  413.017   66.201   79.826   6.6360   79.826   6.6360 -0.000000 0.000000 
1 1 1   -4    0    7 o  129.517   2.7066  1068.00   62.833  1068.00   62.833  1068.00   62.833  129.517   3.8277  129.517   3.8277 -0.000000 0.000000 
1 1 1   -4    0    8 o  956.341   7.5747 58136.08  1300.62 58136.08  1300.62 58136.08  1300.62  956.341   10.712  956.341   10.712 -0.000000 0.000000 
1 1 1   -4    0    9 o  209.803   2.8028  2798.22  105.522  2798.22  105.522  2798.22  105.522  209.803   3.9637  209.803   3.9637 -0.000000 0.000000 
1 1 1   -4    0   11 o  612.531   5.0743 23840.64  558.034 23840.64  558.034 23840.64  558.034  612.531   7.1761  612.531   7.1761 -0.000000 0.000000 
1 1 1   -4    0   13 o  906.689   7.2238 52249.39  1175.95 52249.39  1175.95 52249.39  1175.95  906.689   10.216  906.689   10.216 -0.000000 0.000000 
1 1 1   -4    0   14 o  469.907   4.2170 14030.25  355.757 14030.25  355.757 14030.25  355.757  469.907   5.9638  469.907   5.9638 -0.000000 0.000000 
1 1 1   -4    0   15 o  161.748   3.6474  1666.50  105.709  1666.50  105.709  1666.50  105.709  161.748   5.1582  161.748   5.1582 -0.000000 0.000000 
1 1 1   -4    0   16 o  519.293   4.6193 17134.03  430.653 17134.03  430.653 17134.03  430.653  519.293   6.5327  519.293   6.5327 -0.000000 0.000000 
1 1 1   -4    0   17 o   33.450   16.140 -184.4150  301.398 -184.4150  301.398 -184.4150  301.398   33.450   22.826   33.450   22.826 -0.000000 0.000000 
1 1 1   -4    0   18 o  328.926   4.8414  6880.27  285.719  6880.27  285.719  6880.27  285.719  328.926   6.8468  328.926   6.8468 -0.000000 0.000000 
1 1 1   -4    0   19 o  228.616   3.9880  3325.26  163.514  3325.26  163.514  3325.26  163.514  228.616   5.6399  228.616   5.6399 -0.000000 0.000000 
1 1 1   -4    0   20 o  279.409   3.7662  4963.55  188.834  4963.55  188.834  4963.55  188.834  279.409   5.3262  279.409   5.3262 -0.000000 0.000000 
1 1 1   -4    0   21 o   32.212   12.826   87.839  112.893   87.839  112.893   87.839  112.893   32.212   18.138   32.212   18.138 -0.000000 0.000000 
1 1 1   -4    0   22 o   90.114   8.0390  541.090  124.474  541.090  124.474  541.090  124.474   90.114   11.369   90.114   11.369 -0.000000 0.000000 
1 1 1   -4    0   23 o  318.965   4.0607  6471.75  232.443  6471.75  232.443  6471.75  232.443  318.965   5.7427  318.965   5.7427 -0.000000 0.000000 
1 1 1   -4    0   24 o   28.647   12.463   41.500  124.557   41.500  124.557   41.500  124.557   28.647   17.626   28.647   17.626 -0.000000 0.000000 
1 1 1   -4    0   25 o   81.028   9.6382  452.947  128.333  452.947  128.333  452.947  128.333   81.028   13.630   81.028   13.630 -0.000000 0.000000 
1 1 1   -4    0   26 o  131.552   6.2062  1116.95  145.130  1116.95  145.130  1116.95  145.130  131.552   8.7768  131.552   8.7768 -0.000000 0.000000 
1 1 1   -4    0   27 o  276.963   4.3600  4887.29  216.630  4887.29  216.630  4887.29  216.630  276.963   6.1660  276.963   6.1660 -0.000000 0.000000 
1 1 1   -4    0   29 o  212.386   5.3358  2885.88  202.943  2885.88  202.943  2885.88  202.943  212.386   7.5460  212.386   7.5460 -0.000000 0.000000 
1 1 1   -4    0   30 o  254.120   4.9919  4126.36  227.427  4126.36  227.427  4126.36  227.427  254.120   7.0597  254.120   7.0597 -0.000000 0.000000 
1 1 1   -4    0   31 o  212.425   5.4016  2893.95  205.468  2893.95  205.468  2893.95  205.468  212.425   7.6390  212.425   7.6390 -0.000000 0.000000 
1 1 1   -4    0   32 o  161.419   6.8085  1694.29  195.769  1694.29  195.769  1694.29  195.769  161.419   9.6287  161.419   9.6287 -0.000000 0.000000 
1 1 1   -4    0   33 o  ?   ?  -863.2338  165.356 -863.2338  165.356 -863.2338  165.356  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   -4    0   34 o   18.774   9.4783 -194.2095  143.628 -194.2095  143.628 -194.2095  143.628   18.774   13.404   18.774   13.404 -0.000000 0.000000 
1 1 1   -4    0   35 o   28.299   12.756   40.729  143.333   40.729  143.333   40.729  143.333   28.299   18.040   28.299   18.040 -0.000000 0.000000 
1 1 1   -4    2    3 o  148.652   2.1247  1397.25   39.990  1256.56   54.769  1557.92   58.528  140.670   3.0659  156.633   2.9424 -15.96317 4.249398 
1 1 1   -4    2    4 o  383.857   4.7995  9357.77  233.963  9357.77  233.963   0.0000   0.0000  383.857   4.7995  ?   ?       ?      ? 
1 1 1   -4    2    5 o  882.412   6.9846 49413.98  781.815 50951.78  1138.63 48042.27  1075.38  895.371   10.014  869.453   9.7396 25.91803 13.96914 
1 1 1   -4    2    6 o  499.830   4.1965 15865.66  266.332 16048.83  380.772 15690.20  372.660  502.653   5.9651  497.007   5.9044 5.646118 8.393088 
1 1 1   -4    2    7 o  502.646   4.2307 16021.34  269.714 16584.22  393.623 15523.16  370.310  510.951   6.0663  494.341   5.8988 16.60965 8.461413 
1 1 1   -4    2    8 o  290.112   2.8973  5341.84  106.685  5447.59  153.910  5244.04  148.013  292.873   4.1382  287.351   4.0561 5.522461 5.794533 
1 1 1   -4    2    9 o  565.342   4.6961 20282.77  336.914 19708.76  465.840 20912.33  487.858  556.968   6.5861  573.716   6.6960 -16.74872 9.392224 
1 1 1   -4    2   10 f  386.141   3.5430  9432.56  173.386  8807.77  236.584 10157.52  254.844  372.383   5.0029  399.899   5.0182 -27.51599 7.085949 
1 1 1   -4    2   11 o  386.579   4.2670  9345.48  195.122  9896.48  350.701  9098.45  234.823  394.675   6.9971  378.484   4.8856 16.19052 8.533972 
1 1 1   -4    2   12 o  605.789   5.7503 23236.87  381.782 23482.45  769.440 23156.66  439.730  607.791   9.9688  603.786   5.7349 4.004211 11.50070 
1 1 1   -4    2   13 o  208.258   3.1881  2761.61   78.320  2735.41  139.247  2773.74   94.724  207.525   5.2837  208.992   3.5691 -1.466461 6.376187 
1 1 1   -4    2   14 o  525.702   5.1430 17376.71  293.753 17907.99  602.594 17211.11  336.434  530.844   8.9388  520.560   5.0892 10.28320 10.28605 
1 1 1   -4    2   15 o  384.106   4.1094  9250.03  171.975  9607.00  352.009  9138.11  197.098  388.879   7.1279  379.332   4.0915 9.547119 8.218732 
1 1 1   -4    2   16 o  270.470   3.7094  4607.00  110.770  4725.30  221.617  4567.61  127.892  272.749   6.3983  268.191   3.7551 4.558075 7.418797 
1 1 1   -4    2   17 o  329.769   4.0847  6965.95  150.461  6783.33  291.888  7032.04  175.586  326.776   7.0338  332.761   4.1551 -5.985016 8.169372 
1 1 1   -4    2   18 o  159.955   4.3410  1595.45   76.793  1685.74  154.340  1565.74   88.529  162.894   7.4610  157.016   4.4398 5.877777 8.682053 
1 1 1   -4    2   19 o  480.950   5.2364 14574.83  301.265 15056.49  526.826 14340.79  367.236  486.758   8.5227  475.142   6.0862 11.61600 10.47271 
1 1 1   -4    2   20 o  242.492   4.1653  3747.27  123.592  3693.18  203.467  3778.90  155.584  241.082   6.6459  243.903   5.0231 -2.820511 8.330604 
1 1 1   -4    2   21 o  330.463   4.0745  7008.61  151.035  6797.37  290.743  7086.69  176.756  326.938   7.0027  333.988   4.1674 -7.049561 8.148934 
1 1 1   -4    2   22 o  111.085   5.8195  777.222   71.737  803.937  142.644  768.179   82.996  112.267   10.005  109.903   5.9466 2.364014 11.63897 
1 1 1   -4    2   23 o  444.864   4.3450 12592.76  245.027 12563.96  357.172 12618.36  336.769  444.356   6.3295  445.371   5.9543 -1.014923 8.690015 
1 1 1   -4    2   24 o   85.722   8.3299  463.451   89.876  525.656  138.864  418.610  117.900   90.579   12.072   80.866   11.481 9.712715 16.65974 
1 1 1   -4    2   25 o   99.971   7.3656  653.208   90.877  571.781  141.055  710.991  118.825   94.424   11.763  105.519   8.8675 -11.09468 14.73117 
1 1 1   -4    2   26 o   43.733   11.925   82.123   93.569  102.411  138.402   65.043  126.987   45.981   17.355   41.486   16.360 4.494911 23.85066 
1 1 1   -4    2   27 o  255.390   4.5168  4121.56  144.545  4382.15  226.258  3941.87  187.884  262.078   6.7982  248.703   5.9488 13.37508 9.033514 
1 1 1   -4    2   29 o  150.794   6.6906  1438.38  126.506  1604.64  198.788  1325.21  164.002  157.913   9.9128  143.676   8.9885 14.23668 13.38122 
1 1 1   -4    2   30 o  170.689   6.2130  1853.85  133.430  2017.61  206.089  1735.67  175.078  177.012   9.1680  164.366   8.3877 12.64651 12.42601 
1 1 1   -4    2   31 o  264.992   4.9442  4505.25  165.500  4523.75  247.273  4490.24  222.749  265.341   7.3383  264.643   6.6279 0.6972656 9.888365 
1 1 1   -4    2   32 o   42.911   12.613   48.818  114.162   98.432  166.698   4.9945  156.668   46.528   18.616   39.295   17.022 7.233398 25.22544 
1 1 1   -4    2   33 o   54.374   12.880  201.050  115.603   58.134  170.593  322.409  157.202   43.191   18.206   65.556   18.224 -22.36572 25.75988 
1 1 1   -4    2   34 o   88.607   9.2037  545.317  103.377  508.210  141.514  587.778  151.378   85.363   13.054   91.851   12.978 -6.487572 18.40745 
1 1 1   -4    2   35 o   59.472   12.983  295.569  108.533  319.169  146.500  266.859  161.583   62.495   17.671   56.449   19.025 6.045937 25.96597 
1 1 1   -4    4    1 o  753.277   6.0230 36028.64  575.850 35307.65  798.699 36809.16  831.012  745.440   8.4371  761.115   8.5976 -15.67535 12.04592 
1 1 1   -4    4    2 o  887.257   14.053 50082.48  1583.38   0.0000   0.0000 50082.48  1583.38  ?   ?   887.257   14.053      ?      ? 
1 1 1   -4    4    3 o  358.968   3.2436  8175.57  147.772  7956.70  204.648  8414.00  213.601  353.954   4.5529  363.982   4.6211 -10.02817 6.487145 
1 1 1   -4    4    4 o  715.514   5.7481 32518.61  522.151 32031.64  727.854 33034.96  749.487  710.001   8.0725  721.028   8.1853 -11.02643 11.49627 
1 1 1   -4    4    5 o  376.343   3.3629  8995.43  160.720  8957.66  226.423  9033.79  228.171  375.547   4.7476  377.139   4.7641 -1.592285 6.725832 
1 1 1   -4    4    6 o  803.321   6.4043 41007.09  653.196 40474.94  912.352 41566.72  935.604  797.980   9.0031  808.661   9.1106 -10.68060 12.80857 
1 1 1   -4    4    7 o  391.613   3.4756  9738.28  172.819  9592.79  241.770  9890.29  247.123  388.623   4.8989  394.603   4.9315 -5.979462 6.951137 
1 1 1   -4    4    8 o  394.488   3.5051  9884.52  175.592  9840.43  248.123  9928.75  248.525  393.606   4.9640  395.369   4.9498 -1.762817 7.010108 
1 1 1   -4    4    9 o  599.029   4.9190 22797.45  374.193 22647.30  527.032 22950.07  531.372  597.041   6.9511  601.018   6.9620 -3.977112 9.838063 
1 1 1   -4    4   10 o  470.041   4.0321 14029.69  240.608 14199.84  345.441 13869.36  335.326  472.806   5.7532  467.275   5.6509 5.531250 8.064264 
1 1 1   -4    4   11 o  113.163   3.0096  793.956   41.970  891.366   69.798  738.786   52.528  118.468   4.6394  107.857   3.8350 10.61085 6.019228 
1 1 1   -4    4   12 o  946.120   7.4918 56866.55  899.667 55681.48  1247.98 58148.81  1298.15  935.876   10.501  956.365   10.689 -20.48932 14.98359 
1 1 1   -4    4   13 o  844.074   6.7508 45282.24  723.616 45084.04  1022.61 45481.02  1024.09  842.222   9.5610  845.925   9.5330 -3.702332 13.50151 
1 1 1   -4    4   14 f  668.636   6.2869 28591.47  465.227 28037.18  916.988 28783.59  539.867  664.118   10.873  673.155   6.3153 -9.037109 12.57380 
1 1 1   -4    4   15 o  843.240   7.8439 44401.86  709.283 46686.34  1489.94 43732.44  806.536  856.784   13.694  829.695   7.6547 27.08881 15.68788 
1 1 1   -4    4   16 o  371.910   4.1980  8675.51  167.599  8991.37  350.361  8581.79  190.852  376.214   7.3334  367.606   4.0882 8.607727 8.395948 
1 1 1   -4    4   17 f  580.331   5.6560 21565.47  362.769 21056.25  715.744 21741.51  420.827  575.596   9.7918  585.065   5.6640 -9.469421 11.31193 
1 1 1   -4    4   18 o  335.654   4.2673  7034.16  164.551  7442.62  311.385  6875.90  193.826  342.272   7.1639  329.035   4.6387 13.23746 8.534532 
1 1 1   -4    4   19 o  136.475   4.8062  1060.36   66.597  1395.97  158.513  988.421   73.388  148.201   8.4224  124.748   4.6325 23.45338 9.612338 
1 1 1   -4    4   20 o  115.992   5.4545  909.782   63.800  766.984  137.637  948.861   72.002  109.772   9.8734  122.211   4.6394 -12.43878 10.90902 
1 1 1   -4    4   21 o  180.476   4.3884  2060.79   93.448  2100.09  167.218  2042.95  112.686  181.669   7.2481  179.283   4.9494 2.386108 8.776788 
1 1 1   -4    4   22 o  206.142   4.1007  2629.16   86.883  2829.03  194.642  2579.43   97.093  210.804   7.2708  201.481   3.7947 9.323196 8.201445 
1 1 1   -4    4   23 o  117.554   5.8663  900.800   71.892  845.963  152.608  916.441   81.503  115.068   10.443  120.040   5.3465 -4.971573 11.73251 
1 1 1   -4    4   24 o  225.118   4.3994  3256.76  113.207  3155.66  211.327  3297.45  134.066  222.516   7.4786  227.721   4.6359 -5.205460 8.798901 
1 1 1   -4    4   25 f  204.149   4.5805  2723.77   96.102  2538.05  207.617  2774.41  108.415  199.404   8.1988  208.894   4.0868 -9.490524 9.160931 
1 1 1   -4    4   26 o  126.138   6.6676  1096.93   79.770  902.160  184.556  1141.67   88.459  118.356   12.279  133.919   5.2014 -15.56234 13.33514 
1 1 1   -4    4   27 o  115.778   7.1191  811.292   84.095  945.930  193.444  779.918   93.381  120.998   12.589  110.558   6.6511 10.44054 14.23810 
1 1 1   -4    4   28 o   69.553   12.608  266.313  121.656  597.558  203.902   83.221  151.594   93.740   17.779   45.367   17.880 48.37250 25.21503 
1 1 1   -4    4   29 o  159.398   5.8885  1620.71  116.247  1670.32  187.507  1589.74  148.154  161.200   9.1596  157.596   7.4027 3.603073 11.77699 
1 1 1   -4    4   30 o  152.627   6.4391  1477.13  120.123  1593.71  202.269  1413.61  149.304  156.918   10.150  148.336   7.9259 8.582336 12.87820 
1 1 1   -4    4   31 o   38.830   11.672 -22.3326  111.605 -214.5183  177.296  103.799  143.632   32.210   15.394   45.450   17.549 -13.24030 23.34428 
1 1 1   -4    4   32 f   38.056   11.590 -10.5388  108.271 -149.7282  170.007   84.439  140.434   33.197   15.631   42.914   17.115 -9.717419 23.17915 
1 1 1   -4    4   33 o  ?   ?  -1092.0649  114.345 -1093.9550  168.716 -1090.4600  155.508  ?   ?   ?   ?       ?      ? 
1 1 1   -4    4   34 o   37.915   16.580   21.861  151.618   21.861  151.618   0.0000   0.0000   37.915   16.580  ?   ?       ?      ? 
1 1 1   -4    6    1 o  226.934   2.5515  3269.50   73.519  3353.91  104.985  3188.28  102.986  229.808   3.5974  224.061   3.6194 5.746506 5.103037 
1 1 1   -4    6    2 o  350.520   3.2162  7780.62  142.912  7426.06  195.171  8190.49  209.843  341.937   4.4946  359.103   4.6015 -17.16605 6.432343 
1 1 1   -4    6    3 o  416.780   3.6437 11031.51  192.830 11177.05  275.169 10891.06  270.303  419.481   5.1655  414.080   5.1403 5.400848 7.287300 
1 1 1   -4    6    4 o  678.380   5.4858 29242.13  472.573 29046.54  664.109 29442.75  672.610  676.083   7.7350  680.676   7.7812 -4.592163 10.97166 
1 1 1   -4    6    5 o  444.052   3.8289 12495.57  215.588 13051.67  315.672 12009.45  295.139  453.288   5.4838  434.817   5.3449 18.47040 7.657726 
1 1 1   -4    6    6 o  908.014   7.1898 52419.72  829.058 52475.46  1173.49 52364.18  1171.44  908.496   10.171  907.533   10.164 0.9628906 14.37955 
1 1 1   -4    6    7 o  166.796   2.4171  1764.49   51.166  1836.83   73.956  1698.08   70.863  170.071   3.4243  163.521   3.4125 6.549500 4.834299 
1 1 1   -4    6    8 f  883.942   7.0105 49668.69  786.944 49790.69  1115.86 49547.98  1109.97  885.021   9.9284  882.864   9.9001 2.156799 14.02092 
1 1 1   -4    6    9 o  651.504   5.3064 26820.98  437.310 25399.70  587.697 28584.27  654.597  632.281   7.3192  670.727   7.6851 -38.44629 10.61284 
1 1 1   -4    6   10 o  398.730   4.3886 10045.16  208.058  9946.93  252.523 10252.78  367.134  395.740   5.0247  401.720   7.1965 -5.979431 8.777145 
1 1 1   -4    6   11 o  286.093   2.9596  5181.03  107.208  5409.99  159.070  4990.47  145.118  291.864   4.2917  280.322   4.0765 11.54190 5.919161 
1 1 1   -4    6   12 o  233.993   3.8549  3477.10  114.548   0.0000   0.0000  3477.10  114.548  ?   ?   233.993   3.8549      ?      ? 
1 1 1   -4    6   13 o  438.444   3.8899 12197.32  216.329 12444.99  314.962 11976.14  297.643  442.651   5.6030  434.237   5.3975 8.413727 7.779872 
1 1 1   -4    6   14 o  1190.81   9.3566 89985.72  1412.44 93319.11  2072.83 87096.44  1929.82  1211.31   13.475  1170.30   12.985 41.01477 18.71325 
1 1 1   -4    6   16 o  496.447   5.0730 15636.70  271.529 15695.38  559.644 15618.64  310.526  496.991   8.8672  495.903   4.9309 1.087250 10.14597 
1 1 1   -4    6   17 o  125.643   5.1511  1034.65   56.840  959.492  149.608  1047.33   61.447  122.866   9.5884  128.421   3.7678 -5.554657 10.30211 
1 1 1   -4    6   18 o  154.798   4.4708  1427.50   62.557  1660.88  168.140  1390.00   67.396  161.652   8.1905  147.943   3.5872 13.70979 8.941632 
1 1 1   -4    6   19 o  539.569   5.3587 18596.76  315.431 18350.34  636.178 18677.08  363.223  536.982   9.3291  542.156   5.2756 -5.174072 10.71749 
1 1 1   -4    6   20 o  163.757   4.2394  1652.78   67.676  1788.03  162.743  1624.50   74.415  167.608   7.6460  159.907   3.6645 7.701157 8.478762 
1 1 1   -4    6   21 o  405.153   4.4419 10477.22  194.107 10378.08  398.399 10508.07  222.274  403.684   7.7714  406.621   4.3045 -2.937469 8.883865 
1 1 1   -4    6   22 o  161.237   4.9344  1741.96   74.015  1529.42  178.934  1785.83   81.296  154.838   9.0999  167.636   3.8188 -12.79800 9.868724 
1 1 1   -4    6   23 o  327.670   4.1689  6880.05  144.105  6748.32  304.457  6918.08  163.590  325.426   7.3671  329.915   3.9046 -4.489136 8.337865 
1 1 1   -4    6   24 f   47.930   10.990  122.293   60.305  182.866  152.557  111.075   65.652   54.696   18.486   41.164   11.892 13.53134 21.98047 
1 1 1   -4    6   25 o  223.991   4.4317  3265.82   99.193  3085.92  223.241  3310.07  110.724  219.814   7.9973  228.169   3.8213 -8.354507 8.863311 
1 1 1   -4    6   26 o   96.504   7.0175  560.194   69.456  662.841  159.194  536.061   77.190  101.342   12.370   91.666   6.6309 9.675514 14.03493 
1 1 1   -4    6   27 o  517.299   9.3579 17173.85  614.752 17173.85  614.752   0.0000   0.0000  517.299   9.3579  ?   ?       ?      ? 
1 1 1   -4    6   28 o  118.160   7.1280  914.408   82.368  874.761  190.684  923.503   91.329  116.022   12.942  120.299   5.9781 -4.277199 14.25592 
1 1 1   -4    6   29 o  254.685   4.7247  4091.02  121.214  4249.06  276.196  4053.32  134.900  257.100   8.4594  252.271   4.2108 4.829147 9.449445 
1 1 1   -4    6   30 o  155.444   6.2519  1457.52   92.936  1725.76  232.971  1406.75  101.349  162.529   11.287  148.359   5.3793 14.16959 12.50371 
1 1 1   -4    6   31 o   98.370   9.3845  722.156   88.858  539.453  184.410  777.403  101.407   86.995   17.301  109.745   7.2762 -22.75087 18.76906 
1 1 1   -4    6   32 o   37.965   11.043 -18.7608  105.250 -310.8892  174.405  148.567  131.995   28.402   13.955   47.528   17.119 -19.12543 22.08589 
1 1 1   -4    6   33 o   33.019   15.432 -101.9443  160.490 -101.9443  160.490   0.0000   0.0000   33.019   15.432  ?   ?       ?      ? 
1 1 1   -4    6   34 o   51.126   18.275  207.434  150.154  207.434  150.154   0.0000   0.0000   51.126   18.275  ?   ?       ?      ? 
1 1 1   -4    8    1 o  402.751   3.5768 10275.67  182.662  9826.48  249.998 10790.10  267.539  393.335   5.0049  412.167   5.1114 -18.83228 7.153691 
1 1 1   -4    8    2 o  881.961   6.9955 49374.97  782.648 50897.65  1139.68 48016.03  1076.67  894.796   10.030  869.125   9.7549 25.67169 13.99106 
1 1 1   -4    8    3 f  500.446   4.2301 15906.49  268.809 15731.26  377.090 16087.53  383.293  497.645   5.9669  503.247   5.9975 -5.602478 8.460137 
1 1 1   -4    8    4 o  312.637   3.0323  6190.73  120.223  5877.05  164.858  6547.02  175.701  304.201   4.2675  321.072   4.3092 -16.87057 6.064677 
1 1 1   -4    8    5 f  372.909   4.1372  8759.43  183.457  9042.37  324.545  8626.56  222.398  377.273   6.7739  368.545   4.7519 8.728363 8.274445 
1 1 1   -4    8    6 o  1103.46   10.619 77505.88  1403.00 77503.41  1718.65 77510.82  2429.14  1103.89   12.260  1103.02   17.342 0.8645020 21.23760 
1 1 1   -4    8    7 o  597.748   4.9184 22694.42  373.295 22966.72  533.772 22433.74  522.255  601.255   6.9907  594.241   6.9206 7.014282 9.836861 
1 1 1   -4    8    8 o  483.995   5.1099 14847.09  293.547 14981.55  518.274 14783.58  356.188  485.557   8.4051  482.434   5.8139 3.123657 10.21989 
1 1 1   -4    8    9 f  470.780   4.0579 14071.04  242.535 13802.87  338.161 14355.11  348.046  466.164   5.7123  475.396   5.7651 -9.232330 8.115770 
1 1 1   -4    8   10 f  302.279   3.0710  5803.15  117.872  5695.34  166.539  5911.38  166.854  299.465   4.3792  305.093   4.3065 -5.627655 6.141929 
1 1 1   -4    8   11 o  203.440   2.8596  2632.30   73.530  2585.67  108.903  2671.38   99.682  201.780   4.2500  205.100   3.8271 -3.320358 5.719185 
1 1 1   -4    8   12 o  700.955   5.7151 31186.19  508.384 30430.58  703.288 32013.13  735.737  692.075   8.0021  709.834   8.1618 -17.75928 11.43017 
1 1 1   -4    8   13 o  834.034   6.6871 44178.02  707.926 45029.45  1020.52 43388.27  982.861  841.769   9.5466  826.299   9.3665 15.46954 13.37420 
1 1 1   -4    8   14 o  698.861   5.7120 31011.71  506.749 30340.95  704.805 31729.53  729.116  691.046   8.0313  706.677   8.1245 -15.63110 11.42407 
1 1 1   -4    8   15 o  642.037   5.3122 26160.75  432.688 26795.71  628.918 25590.12  596.216  649.420   7.6259  634.654   7.3976 14.76593 10.62442 
1 1 1   -4    8   16 o  456.080   4.1041 13211.57  237.459 13256.52  343.994 13170.65  328.199  456.817   5.9297  455.343   5.6757 1.473206 8.208221 
1 1 1   -4    8   17 o  707.338   5.7966 31790.87  520.284 32352.01  753.333 31279.10  719.422  713.288   8.3166  701.389   8.0769 11.89868 11.59321 
1 1 1   -4    8   18 o  297.587   3.9279  5638.92  119.288  5612.36  264.757  5645.69  133.619  297.054   7.0183  298.121   3.5294 -1.067383 7.855803 
1 1 1   -4    8   19 o   79.553   8.6865  506.843   46.573  306.997  144.379  530.054   49.203   67.778   16.847   91.329   4.2424 -23.55079 17.37296 
1 1 1   -4    8   20 o  152.392   4.4760  1396.86   58.400  1589.76  166.563  1369.82   62.358  157.949   8.3040  146.836   3.3441 11.11304 8.952053 
1 1 1   -4    8   21 o  167.217   4.4008  1829.34   68.012  1707.38  168.488  1853.08   74.338  163.661   8.1068  170.774   3.4278 -7.113174 8.801655 
1 1 1   -4    8   22 o   27.574   9.1029 -29.7332   46.813 -78.8243  148.904 -24.3489   49.314   34.826   15.747   20.322   9.1369 14.50449 18.20571 
1 1 1   -4    8   23 o  407.696   4.5633 10521.86  195.995 10709.62  418.649 10469.16  221.803  409.638   8.0477  405.754   4.3045 3.883636 9.126596 
1 1 1   -4    8   24 o  176.406   4.3894  1857.52   73.406  2176.90  186.207  1798.75   79.874  184.611   7.9426  168.200   3.7394 16.41124 8.778801 
1 1 1   -4    8   25 o   91.607   8.7895  560.922   65.713  533.921  180.383  565.054   70.562   89.058   16.559   94.156   5.9013 -5.097069 17.57895 
1 1 1   -4    8   26 o  370.424   4.8773  5948.66  163.700 13580.88  494.126  5007.72  173.498  460.431   8.4508  280.417   4.8720 180.0139 9.754598 
1 1 1   -4    8   27 o   36.804   11.017  -8.0182   60.064  116.315  175.137 -24.5915   63.942   50.005   19.359   23.603   10.523 26.40287 22.03385 
1 1 1   -4    8   28 o  151.053   6.2862  1473.76   77.777  1461.59  224.999  1475.41   82.886  149.914   11.818  152.191   4.2886 -2.277710 12.57250 
1 1 1   -4    8   29 o   73.577   10.385  336.968   67.408  412.168  184.991  325.455   72.385   76.073   19.159   71.081   8.0189 4.992882 20.76980 
1 1 1   -4    8   30 o   99.520   8.3354  599.959   75.423  740.884  201.953  577.117   81.306  104.366   15.237   94.674   6.7626 9.691635 16.67074 
1 1 1   -4    8   31 o  ?   ?  -1528.3990  153.641 -1561.8979  246.677 -1507.1670  196.385  ?   ?   ?   ?       ?      ? 
1 1 1   -4    8   32 o   51.756   13.274   67.134  129.846  427.750  216.312 -135.9981  162.348   71.551   21.822   31.962   15.118 39.58897 26.54726 
1 1 1   -4    8   33 o   36.882   11.948 -39.2899  126.885 -91.2026  192.540   0.5628  168.699   35.958   16.837   37.806   16.956 -1.847641 23.89557 
1 1 1   -4   10    1 o  1087.94   8.5467 75177.17  1179.70 77257.86  1713.77 73303.31  1626.36  1102.21   12.244  1073.67   11.928 28.53760 17.09345 
1 1 1   -4   10    2 o  296.586   3.0206  5572.26  113.580  5824.25  166.602  5353.43  155.253  302.834   4.3321  290.337   4.2107 12.49652 6.041297 
1 1 1   -4   10    3 f  815.174   6.5090 42226.88  673.785 41949.77  947.439 42510.44  958.407  812.470   9.1826  817.878   9.2275 -5.408081 13.01795 
1 1 1   -4   10    4 o  436.874   3.8371 12117.77  212.834 11905.22  297.266 12341.32  304.865  432.945   5.4067  440.803   5.4461 -7.857361 7.674152 
1 1 1   -4   10    5 o  262.209   3.5813  4364.09  112.313  4359.07  137.372  4374.22  195.053  261.992   4.1289  262.425   5.8529 -0.4334412 7.162659 
1 1 1   -4   10    6 o  462.196   4.0234 13563.95  236.085 13743.44  338.732 13394.40  329.222  465.167   5.7341  459.225   5.6453 5.942780 8.046715 
1 1 1   -4   10    7 o  425.017   3.8012 11468.55  205.113 11650.18  294.200 11296.77  286.115  428.290   5.4091  421.745   5.3421 6.544861 7.602426 
1 1 1   -4   10    8 o  755.047   6.0935 36223.29  584.273 36252.34  827.495 36194.40  825.085  755.349   8.6266  754.746   8.6084 0.6026611 12.18697 
1 1 1   -4   10    9 f  472.170   4.1492 14160.62  248.792 14113.90  352.234 14207.13  351.456  471.392   5.8840  472.948   5.8517 -1.555176 8.298392 
1 1 1   -4   10   10 o  931.968   7.4095 55199.00  876.832 55726.91  1251.92 54690.67  1228.47  936.337   10.528  927.600   10.429 8.737305 14.81908 
1 1 1   -4   10   11 o  583.529   4.8939 21614.17  362.479 21115.61  503.133 22152.21  522.672  576.540   6.8719  590.519   6.9698 -13.97833 9.787762 
1 1 1   -4   10   12 o  788.057   6.3498 39439.54  635.136 40243.27  916.406 38696.60  881.072  795.771   9.0682  780.342   8.8910 15.42889 12.69968 
1 1 1   -4   10   13 o  854.621   6.8365 46416.58  741.862 45847.30  1038.44 47009.97  1060.20  849.274   9.6284  859.968   9.7080 -10.69360 13.67301 
1 1 1   -4   10   14 o  580.689   4.8792 21415.17  359.638 21791.20  518.205 21065.78  499.520  585.600   6.9682  575.779   6.8316 9.821106 9.758410 
1 1 1   -4   10   15 o  133.075   3.5835  1117.12   59.922  1178.70   92.675  1072.88   78.551  136.199   5.3581  129.951   4.7599 6.248184 7.166957 
1 1 1   -4   10   16 o  311.469   3.2786  6153.21  129.256  6302.55  191.664  6028.63  175.054  314.921   4.7925  308.018   4.4753 6.902771 6.557119 
1 1 1   -4   10   17 o  281.525   3.2499  5036.50  115.419  5044.73  173.557  5029.98  154.547  281.715   4.8513  281.334   4.3257 0.3811035 6.499753 
1 1 1   -4   10   18 o   71.869   6.7637  305.437   52.870  377.181  112.645  285.167   59.875   76.809   11.548   66.930   7.0444 9.878914 13.52736 
1 1 1   -4   10   19 f   65.282   8.1868  284.261   54.173  266.849  115.968  289.121   61.269   63.187   14.725   67.378   7.1605 -4.191410 16.37362 
1 1 1   -4   10   20 o  256.103   3.9611  3975.47   95.817  4474.88  242.021  3882.65  104.343  265.017   7.1912  247.190   3.3239 17.82651 7.922270 
1 1 1   -4   10   21 o   41.689   9.4859  117.973   43.825 -28.0293  159.055  129.968   45.590   38.975   17.015   44.404   8.3924 -5.429062 18.97173 
1 1 1   -4   10   22 o  253.930   4.0919  4023.08   99.704  4234.73  242.930  3980.20  109.338  257.624   7.4254  250.237   3.4406 7.386246 8.183760 
1 1 1   -4   10   23 o  203.371   4.6461  2755.05   83.755  2475.78  215.955  2804.49   90.868  196.705   8.6451  210.036   3.4067 -13.33078 9.292111 
1 1 1   -4   10   24 f  206.713   4.8463  2667.81   88.526  2812.79  238.547  2644.65   95.334  209.501   8.9662  203.925   3.6813 5.575943 9.692547 
1 1 1   -4   10   25 o   13.398   6.7899 -256.8674   56.101 -792.9373  197.674 -209.9077   58.506  ?   ?    13.398   6.7899      ?      ? 
1 1 1   -4   10   26 o  210.828   4.5829  2831.25  122.700   0.0000   0.0000  2831.25  122.700  ?   ?   210.828   4.5829      ?      ? 
1 1 1   -4   10   27 o   52.133   10.971  185.298   57.565   79.501  201.393  194.711   60.072   49.272   20.186   54.993   8.6017 -5.720966 21.94250 
1 1 1   -4   10   28 o   37.481   11.534   11.335   56.605   87.573  207.814   5.2252   58.829   49.733   20.455   25.228   10.666 24.50458 23.06894 
1 1 1   -4   10   29 o   71.781   13.132  399.803  121.023  276.140  208.854  462.317  148.495   62.218   21.611   81.344   14.925 -19.12550 26.26390 
1 1 1   -4   10   30 o  316.113   6.4168  5825.67  242.459  9483.76  436.973  4198.50  291.436  379.646   9.0636  252.579   9.0859 127.0664 12.83361 
1 1 1   -4   12    1 o  472.775   5.9473 14197.10  357.066 14197.10  357.066   0.0000   0.0000  472.775   5.9473  ?   ?       ?      ? 
1 1 1   -4   12    2 o  911.009   7.2584 52711.52  839.273 53868.35  1211.33 51643.49  1163.92  920.607   10.361  901.412   10.168 19.19495 14.51672 
1 1 1   -4   12    3 f  1152.09   11.133 84040.99  1524.60 85721.96  2690.77 83246.16  1850.26  1160.06   18.265  1144.12   12.735 15.94141 22.26600 
1 1 1   -4   12    4 o  366.379   4.3928  8445.79  192.335  8292.90  234.106  8763.29  337.366  361.348   5.1016  371.410   7.1527 -10.06219 8.785662 
1 1 1   -4   12    5 o  561.682   5.8347 19929.89  388.572 20366.29  689.526 19726.81  470.374  566.098   9.5914  557.267   6.6466 8.831116 11.66930 
1 1 1   -4   12    6 o  225.201   3.2128  3221.19   91.713  2966.40  128.482  3485.87  130.956  216.120   4.6813  234.283   4.4016 -18.16325 6.425621 
1 1 1   -4   12    7 o   76.277   5.5612  368.918   53.256  374.566   82.010  364.800   70.031   76.777   8.4112   75.777   7.2774 1.000641 11.12242 
1 1 1   -4   12    8 o  594.131   4.9655 22425.61  374.643 22435.68  530.821 22415.61  528.835  594.264   7.0338  593.999   7.0106 0.2647095 9.930939 
1 1 1   -4   12    9 f  357.042   3.4988  8084.41  158.426  8323.58  231.342  7873.19  217.405  362.005   5.0323  352.078   4.8624 9.926605 6.997615 
1 1 1   -4   12   10 o  587.743   4.9236 21903.79  366.928 22752.96  537.278 21161.53  502.315  598.390   7.0703  577.096   6.8541 21.29340 9.847210 
1 1 1   -4   12   11 o  371.369   3.5535  8739.35  167.249  9095.78  246.135  8433.62  227.959  378.382   5.1223  364.356   4.9267 14.02573 7.107051 
1 1 1   -4   12   12 o  438.498   3.9384 12217.05  219.251 12334.70  314.454 12105.75  305.861  440.548   5.6206  436.448   5.5184 4.100586 7.876830 
1 1 1   -4   12   13 o  156.293   3.3269  1548.39   65.842  1602.25   97.529  1503.28   89.251  158.780   4.8368  153.806   4.5694 4.974228 6.653898 
1 1 1   -4   12   14 o  259.939   3.1022  4296.81  102.251  4241.62  148.208  4346.94  141.252  258.339   4.5176  261.540   4.2528 -3.201416 6.204431 
1 1 1   -4   12   15 o  177.102   3.1948  1985.57   71.554  2077.72  107.092  1911.26   96.172  180.793   4.6644  173.411   4.3671 7.381760 6.389699 
1 1 1   -4   12   16 o  213.054   3.1030  2873.76   83.605  3005.87  125.125  2767.21  112.371  217.452   4.5311  208.656   4.2408 8.796295 6.206039 
1 1 1   -4   12   17 o  395.855   3.7297  9960.72  187.202 10079.26  273.189  9855.79  257.036  398.057   5.4043  393.653   5.1416 4.403473 7.459427 
1 1 1   -4   12   18 o  135.088   3.9298  1179.77   63.837  1101.80  107.586  1222.14   79.307  131.538   6.4406  138.637   4.5046 -7.099091 7.859564 
1 1 1   -4   12   19 o  241.721   4.2891  3715.40  131.661   0.0000   0.0000  3715.40  131.661  ?   ?   241.721   4.2891      ?      ? 
1 1 1   -4   12   20 o   51.747   9.4526  171.257   54.079  185.488  118.359  167.502   60.796   53.208   16.123   50.287   9.8725 2.920635 18.90527 
1 1 1   -4   12   21 o  155.848   5.0192  1538.10   62.048  1566.06  187.986  1534.69   65.732  156.320   9.4696  155.377   3.3313 0.9435425 10.03850 
1 1 1   -4   12   22 o   40.905   11.481   42.437   48.874  150.729  191.759   34.913   50.543   54.209   20.436   27.601   10.471 26.60844 22.96252 
1 1 1   -4   12   23 o   70.852   10.478  364.448   52.410  287.905  184.374  371.177   54.665   65.404   20.181   76.299   5.6418 -10.89457 20.95511 
1 1 1   -4   12   24 o   62.338   10.569  193.555   45.276  349.187  188.038  183.977   46.649   71.032   19.998   53.644   6.8476 17.38766 21.13759 
1 1 1   -4   12   25 o  208.471   4.8978  2880.55   84.954  2654.45  237.245  2913.81   90.987  202.936   9.2057  214.005   3.3480 -11.06844 9.795640 
1 1 1   -4   12   26 o  187.890   6.1248  2297.43  144.323  2146.13  217.655  2416.15  192.805  182.043   9.4149  193.737   7.8366 -11.69463 12.24962 
1 1 1   -4   12   27 o   50.895   12.620  142.943  120.833 -116.4295  202.130  287.176  150.731   38.503   17.761   63.287   17.935 -24.78335 25.24095 
1 1 1   -4   14    1 o  427.063   3.8818 11576.62  210.429 11188.36  292.597 11992.57  302.852  419.653   5.4904  434.474   5.4889 -14.82043 7.763543 
1 1 1   -4   14    2 o  383.261   3.6644  9325.03  178.200  9481.42  258.259  9182.91  246.198  386.323   5.2641  380.199   5.0991 6.123871 7.328874 
1 1 1   -4   14    3 o  505.216   4.3730 16216.95  280.510 16341.82  401.291 16097.62  392.266  507.114   6.2313  503.317   6.1371 3.797394 8.745995 
1 1 1   -4   14    4 o  673.222   5.5200 28805.96  471.812 28304.28  658.263 29336.00  676.601  667.201   7.7690  679.243   7.8439 -12.04230 11.04009 
1 1 1   -4   14    5 o  501.845   4.3507 15977.22  276.882 16545.35  404.727 15477.39  379.618  510.208   6.2465  493.482   6.0576 16.72617 8.701322 
1 1 1   -4   14    6 o  357.073   3.5042  8101.83  158.886  7962.30  224.280  8242.40  225.120  353.986   4.9892  360.162   4.9220 -6.176025 7.008391 
1 1 1   -4   14    7 o  531.353   4.5595 17947.67  307.559 18151.84  441.747 17755.60  428.465  534.278   6.5107  528.429   6.3849 5.848755 9.118984 
1 1 1   -4   14    8 o  169.819   3.3423  1837.38   71.894  1713.92  102.788  1955.62  100.594  164.214   4.9290  175.424   4.5155 -11.21068 6.684650 
1 1 1   -4   14    9 o  147.067   3.5539  1369.62   66.139  1434.94   98.578  1316.15   89.193  150.239   5.1668  143.895   4.8810 6.343857 7.107713 
1 1 1   -4   14   10 o  216.130   3.1338  2975.12   85.830  2810.85  122.982  3131.11  119.843  210.293   4.6051  221.967   4.2516 -11.67331 6.267576 
1 1 1   -4   14   11 o  170.063   3.2666  1837.67   70.155  1845.33  104.994  1831.50   94.294  170.373   4.8527  169.753   4.3741 0.6205139 6.533113 
1 1 1   -4   14   12 o  130.865   3.6990  1099.04   60.903  961.428   88.179  1224.57   84.217  122.943   5.6478  138.786   4.7783 -15.84304 7.398015 
1 1 1   -4   14   13 o  176.173   3.2730  1978.61   72.976  1894.28  106.285  2053.82  100.376  172.601   4.8490  179.745   4.3974 -7.143997 6.545988 
1 1 1   -4   14   14 o  113.917   3.9010  821.359   56.085  862.450   84.956  789.618   74.668  116.419   5.7463  111.414   5.2774 5.005249 7.802004 
1 1 1   -4   14   15 o   95.498   4.6268  586.937   55.515  520.239   81.463  644.771   75.856   90.354   7.0996  100.643   5.9351 -10.28908 9.253673 
1 1 1   -4   14   16 o  244.068   3.1462  3788.26   97.267  3789.94  142.770  3786.80  132.875  244.105   4.6056  244.031   4.2877 0.7395935E-01 6.292474 
1 1 1   -4   14   17 f   91.109   4.7212  527.954   53.492  535.176   84.982  523.214   68.840   91.588   7.3065   90.630   5.9813 0.9583206 9.442479 
1 1 1   -4   14   18 o  196.553   3.3489  2462.65   82.889  2426.40  125.125  2491.00  110.649  195.231   5.0468  197.874   4.4033 -2.642670 6.697745 
1 1 1   -4   14   19 o  177.163   3.7430  2051.30   81.000  1786.03  128.975  2224.07  104.088  167.371   6.0680  186.954   4.3841 -19.58337 7.486079 
1 1 1   -4   14   20 o  336.754   4.9977  7222.82  213.729   0.0000   0.0000  7222.82  213.729  ?   ?   336.754   4.9977      ?      ? 
1 1 1   -4   14   21 o  100.089   6.6195  723.327   66.155  513.467  136.922  787.237   75.560   89.046   12.108  111.132   5.3540 -22.08550 13.23908 
1 1 1   -4   14   22 o  300.055   4.3010  5807.89  127.666  5655.56  293.223  5843.52  141.813  297.063   7.7727  303.046   3.6849 -5.982910 8.601930 
1 1 1   -4   14   23 o   58.700   13.535  210.801  117.566  327.798  184.337  130.582  152.639   68.452   19.970   48.948   18.276 19.50405 27.07057 
1 1 1   -4   14   24 o   98.036   10.547  633.971  128.617  681.514  206.338  603.761  164.481  100.586   16.153   95.485   13.564 5.100822 21.09324 
1 1 1   -4   16    1 o   64.372   7.5894  263.624   59.646  345.945   90.966  201.538   78.999   73.629   9.7287   55.116   11.651 18.51286 15.17882 
1 1 1   -4   16    2 o  245.458   3.2233  3839.66  100.214  3627.10  144.230  4038.07  139.345  238.861   4.7548  252.055   4.3533 -13.19362 6.446646 
1 1 1   -4   16    3 o  367.309   3.5912  8580.80  167.466  8452.45  238.536  8705.56  235.165  364.592   5.1519  370.026   5.0045 -5.433533 7.182455 
1 1 1   -4   16    4 o  267.768   3.2382  4542.24  109.765  4745.52  163.132  4374.07  148.378  273.215   4.7017  262.320   4.4541 10.89444 6.476496 
1 1 1   -4   16    5 o  278.567   3.2541  4931.58  115.042  4975.35  166.034  4891.16  159.548  279.750   4.6736  277.384   4.5293 2.366821 6.508234 
1 1 1   -4   16    6 o  112.098   4.4192  800.528   62.835  778.370   90.286  821.342   87.503  110.584   6.4290  113.611   6.0649 -3.026649 8.838321 
1 1 1   -4   16    7 f  177.216   3.4247  1998.64   76.720  1979.47  113.791  2014.61  103.883  176.424   5.0789  178.008   4.5954 -1.584625 6.849328 
1 1 1   -4   16    8 o  230.663   4.7565  3383.24  139.329  3383.24  139.329   0.0000   0.0000  230.663   4.7565  ?   ?       ?      ? 
1 1 1   -4   16    9 o  218.829   3.2892  3055.58   91.083  2861.28  131.552  3234.50  126.235  212.108   4.8839  225.551   4.4072 -13.44308 6.578378 
1 1 1   -4   16   10 f  305.536   3.3671  5930.44  130.372  6036.51  191.393  5838.61  178.074  308.068   4.8922  303.004   4.6278 5.064636 6.734231 
1 1 1   -4   16   11 o  223.074   3.2867  3163.21   92.871  3188.86  136.548  3141.13  126.684  223.903   4.8023  222.246   4.4886 1.657242 6.573388 
1 1 1   -4   16   12 o  192.293   3.3081  2353.45   80.335  2339.64  119.906  2364.70  108.215  191.762   4.9238  192.824   4.4192 -1.061737 6.616131 
1 1 1   -4   16   13 o  190.457   3.4231  2314.66   82.485  2218.59  120.444  2399.52  113.197  186.705   5.0799  194.210   4.5897 -7.505478 6.846184 
1 1 1   -4   16   14 o  407.037   3.8699 10548.66  199.792 10607.19  290.212 10495.93  275.460  408.081   5.6000  405.992   5.3427 2.088837 7.739854 
1 1 1   -4   16   15 o   95.927   5.1956  589.220   63.065  566.819   92.121  608.978   86.517   94.179   7.7024   97.675   6.9749 -3.495941 10.39120 
1 1 1   -4   16   16 o  213.395   3.7225  2901.19  100.660  2655.81  140.965  3156.50  143.788  204.164   5.4369  222.626   5.0859 -18.46214 7.444902 
1 1 1   -4   16   17 o  145.427   6.9758  1351.27  128.830  1351.27  128.830   0.0000   0.0000  145.427   6.9758  ?   ?       ?      ? 
1 1 1   -4   16   18 o  266.003   3.4953  4518.21  117.734  4343.04  171.049  4675.91  162.298  261.053   5.1596  270.953   4.7167 -9.900543 6.990608 
1 1 1   -4   16   19 o  181.488   3.7981  2129.30   84.656  1982.36  135.888  2222.50  108.224  176.189   6.0733  186.788   4.5624 -10.59810 7.596106 
1 1 1   -4   16   20 o  167.735   4.0252  1800.39   82.177  1785.36  137.105  1808.81  102.661  167.044   6.4632  168.425   4.7998 -1.381287 8.050488 
1 1 1   -4   16   21 o   38.572   9.8506   87.727   58.651   26.252  122.874  105.866   66.745   37.153   15.544   39.991   12.105 -2.837593 19.70111 
1 1 1   -4   16   22 o  116.006   13.502  897.302  198.907  897.302  198.907   0.0000   0.0000  116.006   13.502  ?   ?       ?      ? 
1 1 1   -4   18    1 o   65.168   8.6037  279.581   68.193  269.772  107.243  286.239   88.357   63.498   13.701   66.837   10.410 -3.339073 17.20737 
1 1 1   -4   18    2 o  343.712   3.6112  7520.90  157.420  7456.55  227.973  7579.55  217.638  342.285   5.2447  345.139   4.9655 -2.853333 7.222383 
1 1 1   -4   18    3 o  114.340   5.1192  824.654   73.800  910.490  112.923  760.659   97.503  119.462   7.4435  109.219   7.0298 10.24282 10.23836 
1 1 1   -4   18    4 o  215.700   3.4810  2946.26   94.979  3116.11  142.081  2809.03  127.708  221.280   5.0561  210.119   4.7860 11.16115 6.962032 
1 1 1   -4   18    5 o  240.266   3.4330  3638.39  104.240  4069.29  156.874  3297.71  139.489  252.880   4.8849  227.652   4.8249 25.22699 6.866043 
1 1 1   -4   18    6 o  269.132   3.4323  4601.92  117.063  4720.23  172.044  4499.92  159.744  272.333   4.9746  265.931   4.7302 6.401703 6.864534 
1 1 1   -4   18    7 o  213.294   3.4418  2891.78   93.045  2952.28  136.495  2839.26  127.170  215.363   4.9908  211.226   4.7409 4.137314 6.883572 
1 1 1   -4   18    8 o  146.553   4.8746  1354.25   89.581  1274.84  116.404  1469.60  140.288  141.388   6.4830  151.718   7.2812 -10.33064 9.749140 
1 1 1   -4   18    9 o  367.265   3.7315  8573.59  173.649  8830.33  255.675  8353.76  236.587  372.331   5.4073  362.198   5.1436 10.13208 7.462953 
1 1 1   -4   18   10 o  121.693   5.0478  924.943   76.764  1061.45  122.531  836.756   98.486  128.886   7.4862  114.500   6.7732 14.38653 10.09553 
1 1 1   -4   18   11 o  287.382   3.7178  5262.84  135.594  5037.89  191.479  5489.11  192.040  281.201   5.3620  293.562   5.1513 -12.36090 7.435500 
1 1 1   -4   18   13 o  109.864   5.6719  776.725   78.561  736.862  116.542  809.925  106.358  107.203   8.5605  112.525   7.4429 -5.322250 11.34372 
1 1 1   -4   18   14 o   76.111   8.2248  409.054   71.795  269.719  110.929  509.494   94.182   63.085   14.190   89.137   8.3202 -26.05223 16.44964 
1 1 1   -4   18   15 o  159.755   4.0503  1630.72   81.470  1614.87  123.216  1643.04  108.597  159.009   6.1020  160.501   5.3280 -1.492447 8.100695 
1 1 1   -4   18   16 o  140.742   4.2356  1273.42   75.064  1198.31  111.694  1335.29  101.369  136.866   6.4262  144.618   5.5196 -7.751862 8.471276 
1 1 1   -4   18   17 o  110.681   5.0328  773.173   70.084  935.046  106.589  649.894   93.018  120.746   6.9512  100.616   7.2798 20.12960 10.06556 
1 1 1   -4   18   18 o   35.983   9.9687   46.457   64.810   93.638  107.588   19.584   81.196   41.342   15.362   30.625   12.709 10.71650 19.93734 
1 1 1   -4   18   19 o  112.260   5.5831  820.166   78.226  786.618  120.964  844.281  102.558  110.066   8.6542  114.454   7.0560 -4.387802 11.16613 
1 1 1   -4   20    1 o   26.561   8.9532 -160.2956   82.657 -97.6852  125.408 -208.3849  109.908   30.125   13.929   22.997   11.253 7.128563 17.90631 
1 1 1   -4   20    2 o  190.887   4.1840  2313.26  100.569  2407.55  153.762  2242.77  132.950  194.221   6.2341  187.552   5.5820 6.668976 8.367946 
1 1 1   -4   20    3 o  161.391   4.7486  1670.57   96.737  1593.42  142.918  1735.81  131.419  157.877   7.1284  164.905   6.2755 -7.028351 9.497126 
1 1 1   -4   20    4 o  222.661   3.9500  3161.51  111.685  3145.49  158.509  3177.30  157.391  222.095   5.6200  223.227   5.5521 -1.131775 7.899973 
1 1 1   -4   20    5 o  264.267   3.7774  4454.48  126.639  4390.00  182.503  4514.36  175.872  262.395   5.4769  266.139   5.2037 -3.744293 7.554770 
1 1 1   -4   20    6 o  206.735   4.0538  2729.58  106.164  2679.68  154.889  2773.80  145.801  204.913   5.9522  208.557   5.5050 -3.643616 8.107604 
1 1 1   -4   20    7 o  377.263   5.6134  9079.69  268.936  9079.69  268.936   0.0000   0.0000  377.263   5.6134  ?   ?       ?      ? 
1 1 1   -4   20    8 o  346.224   3.7863  7643.95  166.347  7687.50  240.355  7603.92  230.456  347.142   5.4522  345.306   5.2554 1.835175 7.572678 
1 1 1   -4   20    9 f   91.581   6.9709  545.291   80.412  496.664  117.864  587.633  109.984   87.619   10.593   95.543   9.0647 -7.924088 13.94184 
1 1 1   -4   20   10 o  238.118   3.7125  3626.80  111.991  3449.26  161.414  3791.59  155.508  232.435   5.4684  243.801   5.0227 -11.36525 7.425060 
1 1 1   -4   20   11 o   74.780   9.6387  373.599   87.452  219.941  117.826  562.078  130.495   56.594   15.794   92.965   11.053 -36.37101 19.27735 
1 1 1   -4   20   12 o   82.275   7.4891  444.121   77.023  417.579  117.715  463.993  101.853   79.908   11.600   84.642   9.4756 -4.734093 14.97829 
1 1 1   -4   20   13 o   49.850   10.279  163.909   70.349  225.692  105.672  114.733   94.276   57.047   14.543   42.654   14.531 14.39298 20.55856 
1 1 1   -4   20   14 o  252.000   3.6221  4066.78  115.673  3999.20  168.297  4127.30  159.251  249.946   5.3022  254.055   4.9360 -4.108856 7.244120 
1 1 1   -4   20   15 o  124.573   6.7173  1016.00  105.820  1021.78  143.549  1009.11  156.607  125.138   9.0330  124.007   9.9446 1.130905 13.43466 
1 1 1   -4   20   16 o   43.645   11.397   97.572   81.909   52.129  101.710  181.425  138.162   36.018   14.495   51.272   17.590 -15.25343 22.79325 
1 1 1   -4   22    1 o  122.080   6.2107  1005.95   91.856  791.959  143.180  1155.63  119.746  110.141   10.237  134.019   7.0359 -23.87810 12.42141 
1 1 1   -4   22    2 o   50.448   11.910  155.796   88.599  231.156  144.106  109.998  112.340   57.563   17.855   43.334   15.765 14.22834 23.81902 
1 1 1   -4   22    3 o   99.306   7.2588  657.686   89.375  562.399  135.245  731.562  119.084   92.421   11.523  106.192   8.8305 -13.77086 14.51761 
1 1 1   -4   22    4 f  106.671   6.7277  747.751   87.526  716.841  143.745  765.963  110.339  104.503   10.831  108.839   7.9830 -4.335983 13.45537 
1 1 1   -4   22    5 f   78.769   8.6931  423.194   83.078  375.958  125.729  459.802  110.684   73.795   13.927   83.743   10.408 -9.947693 17.38613 
1 1 1   -4   22    6 o  137.195   5.2862  1223.23   91.475  1140.36  134.445  1294.66  124.822  132.677   7.9794  141.713   6.9359 -9.035767 10.57247 
1 1 1   -4   22    7 o   74.622   9.7640  378.636   90.155  452.975  133.636  316.542  122.136   82.207   12.801   67.038   14.747 15.16927 19.52790 
1 1 1   -4   22    8 o  107.429   6.5985  757.326   89.278  746.872  134.556  765.547  119.326  106.540   9.9452  108.318   8.6748 -1.778091 13.19692 
1 1 1   -4   22    9 o  234.067   4.3086  3509.29  126.944  3683.62  194.669  3380.31  167.444  238.909   6.4163  229.225   5.7521 9.683868 8.617215 
1 1 1   -4   22   10 o  250.832   4.8328  4165.86  150.027  3218.72  217.332  5028.06  207.359  222.318   7.6979  279.346   5.8452 -57.02776 9.665619 
1 1 1   -4   22   11 o   47.201   13.766   91.981  126.812  171.735  220.584   52.610  154.984   53.251   21.376   41.150   17.349 12.10138 27.53104 
1 1 1   -4   22   12 o   54.930   11.726  211.385  110.268 -27.0834  168.867  388.651  145.594   37.589   16.903   72.271   16.257 -34.68162 23.45264 
1 1 1   -4   22   13 o  124.652   7.4524  1057.33  116.648  994.466  174.921  1107.67  156.537  120.633   11.418  128.671   9.5799 -8.037628 14.90471 
1 1 1   -4   24    1 o  131.297   6.0744  1160.37   96.974  1099.77  159.429  1195.97  122.174  127.595   9.8391  134.999   7.1264 -7.403549 12.14876 
1 1 1   -4   24    2 o  100.554   7.7597  686.904   95.286  718.016  158.940  669.448  119.053  101.317   12.353   99.790   9.3945 1.527412 15.51944 
1 1 1   -4   24    3 o   54.851   11.689  240.116   89.015  186.100  150.314  269.291  110.469   49.830   18.220   59.872   14.649 -10.04188 23.37831 
1 1 1   -4   24    4 o   95.338   7.8641  627.312   91.841  623.308  150.031  629.711  116.145   94.054   12.561   96.622   9.4655 -2.567871 15.72816 
1 1 1   -4   24    5 o   75.978   9.8845  425.661   90.451  406.977  144.174  437.789  116.154   72.625   16.059   79.331   11.530 -6.705620 19.76906 
1 1 1   -4   24    6 o   28.221   9.4073 -89.6943   85.000 -92.9789  137.056 -87.6413  108.355   30.003   14.099   26.439   12.459 3.564198 18.81454 
1 1 1   -4   24    7 o   42.985   12.211   53.983  119.990 -163.8036  174.563  249.048  165.206   31.423   15.086   54.546   19.204 -23.12302 24.42105 
1 1 1   -3    1    1 o  289.887   5.0650   0.2518   14.502 20585.78  643.754 -10.1997   14.505  569.220   8.9056   10.554   4.8276 558.6656 10.12991 
1 1 1   -3    1    2 o  601.549   9.8749 22993.91  754.365 22993.91  754.365   0.0000   0.0000  601.549   9.8749  ?   ?       ?      ? 
1 1 1   -3    1    3 f  634.342   6.0549 24207.03  395.305 23315.92  440.216 27918.06  898.349  605.894   5.7213  662.789   10.673 -56.89508 12.10985 
1 1 1   -3    1    5 o  927.220   10.372 54641.64  1220.42 55951.13  1766.57 53446.07  1687.98  937.818   14.833  916.622   14.501 21.19604 20.74384 
1 1 1   -3    1    7 o  261.646   3.8866  4347.58  129.139   0.0000   0.0000  4347.58  129.139  ?   ?   261.646   3.8866      ?      ? 
1 1 1   -3    1    8 o  565.313   5.4319 19816.20  328.085 21219.38  695.848 19415.11  372.033  577.761   9.4839  552.866   5.2989 24.89514 10.86385 
1 1 1   -3    1    9 o  364.463   3.8009  8655.06  157.424  7945.79  292.533  8944.19  186.774  353.648   6.5137  375.277   3.9191 -21.62894 7.601793 
1 1 1   -3    1   10 o  518.705   5.0338 17040.37  286.908 17205.09  575.887 16985.98  330.897  520.281   8.7161  517.129   5.0387 3.151917 10.06769 
1 1 1   -3    1   11 o  549.349   5.2969 18958.30  316.681 19596.77  648.494 18758.37  362.893  555.260   9.1967  543.439   5.2584 11.82031 10.59386 
1 1 1   -3    1   12 o  442.686   4.4330 12553.32  219.110 12229.75  425.380 12670.17  255.631  438.723   7.6350  446.650   4.5068 -7.926880 8.865926 
1 1 1   -3    1   13 o  755.898   7.0721 35516.81  571.842 37819.34  1209.07 34853.35  649.021  771.110   12.347  740.685   6.9000 30.42474 14.14411 
1 1 1   -3    1   14 o  280.515   3.4460  4992.02  108.342  5009.80  210.677  4985.63  126.326  280.837   5.9072  280.193   3.5502 0.6446838 6.892005 
1 1 1   -3    1   15 o  479.117   5.0404 14671.50  290.429 14304.94  495.262 14863.62  358.549  474.489   8.2192  483.745   5.8365 -9.255951 10.08072 
1 1 1   -3    1   16 o  496.161   5.0492 15634.67  318.144   0.0000   0.0000 15634.67  318.144  ?   ?   496.161   5.0492      ?      ? 
1 1 1   -3    1   17 o  745.316   7.4510 35151.03  664.609 35770.87  1157.00 34845.78  811.928  750.077   12.146  740.555   8.6334 9.522339 14.90206 
1 1 1   -3    1   18 o  334.369   4.0726  6990.77  152.629  7336.38  300.013  6870.08  177.286  339.834   6.9518  328.904   4.2445 10.92972 8.145121 
1 1 1   -3    1   19 o  325.233   4.0459  6797.38  150.606  6536.49  280.075  6903.51  178.631  320.765   6.8756  329.700   4.2664 -8.934235 8.091702 
1 1 1   -3    1   20 o  296.479   3.9154  5605.84  131.699  5535.22  250.157  5632.91  154.904  295.150   6.6741  297.808   4.0959 -2.657776 7.830705 
1 1 1   -3    1   21 o  298.125   3.9123  5445.25  129.487  6068.69  261.883  5243.52  148.971  308.952   6.6748  287.297   4.0831 21.65454 7.824640 
1 1 1   -3    1   22 o  176.924   4.5367  2001.48  101.387  1850.81  147.415  2136.71  139.663  170.553   6.8062  183.295   6.0000 -12.74210 9.073308 
1 1 1   -3    1   23 o   42.648   10.872   75.406   80.366  168.995  119.791  -1.1959  108.375   51.603   16.321   33.693   14.369 17.91050 21.74488 
1 1 1   -3    1   24 o  339.276   4.1111  7315.43  176.648  7436.89  260.532  7212.08  240.327  341.857   6.0012  336.696   5.6207 5.161316 8.222296 
1 1 1   -3    1   25 o  277.900   4.1182  4907.77  144.692  4996.00  215.852  4835.78  194.987  280.135   6.0675  275.664   5.5699 4.471619 8.236416 
1 1 1   -3    1   26 o  368.404   4.3192  8655.77  201.659  8457.46  292.739  8834.87  278.195  364.341   6.3270  372.467   5.8814 -8.126373 8.638387 
1 1 1   -3    1   27 o  136.991   6.4815  1194.63  112.369  1339.15  165.855  1072.00  152.775  144.621   9.0307  129.361   9.2998 15.25948 12.96300 
1 1 1   -3    1   29 o   45.525   18.556   62.147  169.104   0.0000   0.0000   62.147  169.104  ?   ?    45.525   18.556      ?      ? 
1 1 1   -3    1   30 o  108.765   8.7857  768.586  120.419  903.984  175.084  647.043  165.885  117.992   11.685   99.538   13.123 18.45424 17.57136 
1 1 1   -3    1   31 o   69.062   14.021  334.070  128.700  377.449  195.601  300.952  170.908   72.687   20.372   65.437   19.269 7.250122 28.04108 
1 1 1   -3    1   32 o  105.936   9.6664  767.473  126.530  670.949  194.481  838.317  166.614   99.268   15.427  112.604   11.651 -13.33568 19.33281 
1 1 1   -3    1   33 o   22.044   11.166 -679.4745  116.559 -875.5981  174.100 -520.1594  156.914  ?   ?    22.044   11.166      ?      ? 
1 1 1   -3    1   34 o   39.594   11.815   53.001  101.672   49.115  139.978   57.341  147.924   38.953   16.459   40.234   16.956 -1.280148 23.63058 
1 1 1   -3    1   35 o   58.473   12.694  277.845  104.387  337.631  152.489  225.121  143.200   64.099   17.995   52.847   17.910 11.25134 25.38883 
1 1 1   -3    3    2 o  573.579   4.7072 20894.19  342.836 21114.12  489.384 20682.24  480.426  576.542   6.6841  570.617   6.6299 5.925171 9.414450 
1 1 1   -3    3    3 o  777.350   8.7687 38420.58  865.627 38462.36  1225.43 38378.96  1222.94  777.771   12.407  776.929   12.395 0.8426514 17.53747 
1 1 1   -3    3    5 o  207.333   2.3773  2713.49   62.406  2987.71   92.409  2483.57   84.615  216.906   3.3548  197.760   3.3692 19.14514 4.754621 
1 1 1   -3    3    6 o  860.955   8.4205 46432.33  850.659 45330.54  1017.49 48990.43  1550.39  844.499   9.4875  877.412   13.914 -32.91278 16.84099 
1 1 1   -3    3    7 o  147.046   2.3450  1372.33   43.762  1394.56   63.227  1351.89   60.631  148.188   3.3598  145.904   3.2723 2.284286 4.689987 
1 1 1   -3    3    8 o  539.853   4.4946 18506.90  308.027 18824.06  442.734 18209.35  428.831  544.331   6.4047  535.375   6.3074 8.957031 8.989115 
1 1 1   -3    3    9 o  567.785   4.7012 20477.88  338.914 20678.97  484.859 20285.76  473.922  570.508   6.6923  565.062   6.6044 5.445801 9.402383 
1 1 1   -3    3   10 o  566.820   4.7065 20394.71  338.617 19881.52  470.065 20948.28  488.205  559.416   6.6168  574.224   6.6949 -14.80811 9.412919 
1 1 1   -3    3   11 o  375.467   3.9486  8749.87  158.777  9337.14  335.373  8580.22  180.258  383.366   6.8887  367.568   3.8617 15.79803 7.897270 
1 1 1   -3    3   12 o  327.252   3.6108  6719.47  128.086  6960.69  263.987  6645.20  146.484  331.022   6.2798  323.481   3.5658 7.540558 7.221605 
1 1 1   -3    3   13 o  441.353   7.6681 12376.50  429.783   0.0000   0.0000 12376.50  429.783  ?   ?   441.353   7.6681      ?      ? 
1 1 1   -3    3   14 f  737.379   7.2948 34506.77  642.400 34726.00  1119.91 34399.27  784.255  738.986   11.933  735.773   8.3934 3.213196 14.58961 
1 1 1   -3    3   15 o  949.997   8.6935 57318.61  906.548 57515.16  1819.39 57253.69  1045.59  950.750   15.069  949.245   8.6737 1.504517 17.38694 
1 1 1   -3    3   16 o  428.021   4.8153 11876.01  252.167 10677.54  404.345 12638.81  322.584  409.961   7.7666  446.082   5.6944 -36.12170 9.630535 
1 1 1   -3    3   17 o  803.846   7.9137 41307.89  766.063 40345.48  1303.28 41815.94  946.914  796.499   12.885  811.194   9.1920 -14.69531 15.82746 
1 1 1   -3    3   18 o  383.655   4.2646  9364.19  180.855  9319.58  358.500  9379.42  209.462  383.007   7.3706  384.303   4.2919 -1.296783 8.529184 
1 1 1   -3    3   19 o  833.576   7.7653 43700.09  701.156 45114.28  1445.07 43264.63  801.871  841.988   13.515  825.163   7.6522 16.82568 15.53069 
1 1 1   -3    3   20 o  391.581   4.3403  9845.71  189.048  9531.55  368.537  9957.90  220.232  387.224   7.4945  395.937   4.3800 -8.712738 8.680523 
1 1 1   -3    3   21 o  301.349   3.9088  5659.83  128.798  5994.69  263.431  5554.63  147.649  307.011   6.7567  295.688   3.9321 11.32291 7.817572 
1 1 1   -3    3   22 o  389.464   4.3919  9756.59  189.678  9426.92  371.244  9873.05  220.653  384.786   7.5974  394.142   4.4084 -9.355988 8.783717 
1 1 1   -3    3   23 o  238.367   4.0854  3555.20  103.501  3723.02  219.943  3507.46  117.301  241.805   7.1626  234.930   3.9318 6.874496 8.170740 
1 1 1   -3    3   24 o  151.803   5.0854  1366.38   79.425  1645.75  182.211  1300.85   88.250  160.581   8.9352  143.024   4.8588 17.55719 10.17079 
1 1 1   -3    3   25 o  137.240   5.6494  1253.39   79.150  1114.79  170.329  1291.56   89.387  131.990   10.162  142.490   4.9398 -10.50017 11.29885 
1 1 1   -3    3   26 o  233.317   4.3037  3404.08  108.665  3591.19  225.358  3347.39  124.038  237.219   7.4808  229.416   4.2575 7.802704 8.607454 
1 1 1   -3    3   27 o  155.489   5.3777  1473.70   89.438  1678.38  191.899  1416.90  101.089  161.825   9.3379  149.153   5.3369 12.67220 10.75545 
1 1 1   -3    3   28 o  525.147   5.0324 16317.99  319.604 22114.53  568.532 13639.80  386.448  588.051   7.6131  462.243   6.5833 125.8084 10.06475 
1 1 1   -3    3   29 o  283.077   5.9687  5113.81  214.565   0.0000   0.0000  5113.81  214.565  ?   ?   283.077   5.9687      ?      ? 
1 1 1   -3    3   30 o  196.333   5.5208  2442.43  135.985  2673.10  212.780  2283.17  176.803  203.955   8.2152  188.711   7.3776 15.24448 11.04169 
1 1 1   -3    3   31 o   38.230   12.001 -53.5862  113.754   30.835  184.470 -105.3855  144.497   44.259   18.808   32.201   14.911 12.05764 24.00118 
1 1 1   -3    3   32 o   39.854   12.198  -5.4723  117.450 -98.6285  173.809   72.814  159.334   35.836   16.508   43.872   17.962 -8.036266 24.39614 
1 1 1   -3    3   33 f  203.600   5.1627  2700.04  132.319  2658.89  199.821  2732.17  176.581  201.882   7.7941  205.318   6.7723 -3.435837 10.32531 
1 1 1   -3    3   34 o   44.358   12.346  107.641  104.114   44.539  140.827  183.703  154.614   38.492   16.397   50.224   18.461 -11.73138 24.69129 
1 1 1   -3    3   35 o   58.497   18.706  290.570  157.035  290.570  157.035   0.0000   0.0000   58.497   18.706  ?   ?       ?      ? 
1 1 1   -3    5    1 o  622.504   5.0749 24585.95  400.789 25352.82  582.796 23897.85  552.055  631.696   7.2649  613.311   7.0880 18.38513 10.14981 
1 1 1   -3    5    2 f  670.290   5.4196 28533.88  461.164 29050.77  662.951 28049.25  641.927  676.166   7.7206  664.415   7.6080 11.75085 10.83922 
1 1 1   -3    5    3 o  705.726   5.6798 31648.62  509.029 31749.52  721.885 31548.84  717.883  706.844   8.0421  704.607   8.0229 2.236145 11.35961 
1 1 1   -3    5    4 o  521.562   4.3533 17279.63  288.324 17412.39  410.327 17150.15  405.223  523.540   6.1717  519.584   6.1413 3.956116 8.706622 
1 1 1   -3    5    5 o  462.228   3.9438 13550.30  231.266 14038.77  336.459 13112.85  318.405  470.110   5.6358  454.346   5.5184 15.76343 7.887659 
1 1 1   -3    5    6 o  122.064   2.3710  944.206   36.711  886.888   50.687  1007.45   53.242  118.175   3.3774  125.952   3.3287 -7.776764 4.742071 
1 1 1   -3    5    7 o  1067.38   10.280 72612.17  1315.86 72755.27  1615.17 72329.73  2269.10  1069.44   11.893  1065.32   16.772 4.110352 20.56092 
1 1 1   -3    5    8 o  225.373   3.6612  3225.70  104.787  3225.70  104.787   0.0000   0.0000  225.373   3.6612  ?   ?       ?      ? 
1 1 1   -3    5    9 o   83.222   3.0307  448.854   31.269  389.435   47.784  493.354   41.353   78.304   4.8053   88.139   3.6945 -9.835335 6.061381 
1 1 1   -3    5   10 o  1100.49   10.623 76939.54  1394.41 77547.14  2437.36 76643.91  1700.12  1103.23   17.397  1097.74   12.196 5.490601 21.24593 
1 1 1   -3    5   11 o  893.489   7.1011 50631.06  804.384 48858.53  1099.65 52671.05  1179.70  876.723   9.8768  910.254   10.205 -33.53064 14.20219 
1 1 1   -3    5   12 o  101.927   3.3817  650.820   41.779  689.640   71.495  630.690   51.485  104.200   5.4030   99.654   4.0682 4.546173 6.763313 
1 1 1   -3    5   13 o  905.771   7.2052 52146.79  828.782 51851.34  1169.07 52445.30  1175.10  903.192   10.193  908.351   10.187 -5.158875 14.41049 
1 1 1   -3    5   14 o  283.430   3.6589  4984.28  106.052  5301.84  238.623  4906.12  118.386  288.906   6.5040  277.954   3.3539 10.95221 7.317797 
1 1 1   -3    5   15 o  216.775   3.9126  2853.92   82.229  3189.96  200.724  2786.15   90.140  224.088   7.0535  209.462   3.3887 14.62611 7.825265 
1 1 1   -3    5   16 o  730.272   6.9227 33297.96  541.130 35002.18  1139.65 32801.91  614.863  741.951   12.095  718.593   6.7378 23.35791 13.84544 
1 1 1   -3    5   17 o  295.322   4.1404  5403.18  138.396  5840.59  269.701  5246.83  161.243  303.214   7.0042  287.430   4.4175 15.78351 8.280828 
1 1 1   -3    5   18 o  230.605   3.7508  3174.93   87.550  3719.86  204.204  3052.20   96.909  241.979   6.6452  219.231   3.4808 22.74788 7.501657 
1 1 1   -3    5   19 o  546.312   5.3958 19094.91  324.231 18722.70  645.009 19220.76  375.062  542.580   9.3610  550.044   5.3694 -7.463745 10.79165 
1 1 1   -3    5   20 o  323.809   4.0302  6771.17  141.125  6461.76  285.858  6870.89  162.279  318.748   7.0620  328.871   3.8856 -10.12314 8.060365 
1 1 1   -3    5   21 o  322.457   4.0531  6610.24  139.197  6615.69  291.684  6608.63  158.398  322.411   7.1240  322.503   3.8676 -0.9136963E-01 8.106148 
1 1 1   -3    5   22 o  267.180   3.9579  4430.41  108.846  4728.96  242.902  4355.40  121.754  272.550   7.0179  261.810   3.6620 10.73972 7.915893 
1 1 1   -3    5   23 o  287.438   4.0778  5310.50  123.341  5160.92  260.891  5353.55  139.972  284.639   7.2175  290.238   3.7976 -5.599365 8.155631 
1 1 1   -3    5   24 o   92.954   7.5955  510.072   67.917  621.569  170.449  489.028   74.050   98.288   13.656   87.621   6.6548 10.66713 15.19098 
1 1 1   -3    5   25 o  134.640   5.5900  1093.38   87.992  1321.13  165.909  1004.24  103.793  143.743   9.0887  125.536   6.5106 18.20731 11.18004 
1 1 1   -3    5   26 o  183.379   5.0090  2217.94   91.041  2031.32  205.305  2263.62  101.574  178.118   9.0764  188.639   4.2400 -10.52136 10.01792 
1 1 1   -3    5   27 o   70.943   11.225  314.884   80.161  366.714  191.712  303.902   88.245   73.110   20.048   68.776   10.104 4.333313 22.45030 
1 1 1   -3    5   28 o  270.858   4.7212  4868.35  134.025  4361.67  278.727  5020.74  152.855  260.863   8.4137  280.853   4.2857 -19.98969 9.442368 
1 1 1   -3    5   29 f   88.608   10.219  522.455   87.044  524.732  199.504  521.919   96.737   87.063   18.609   90.152   8.4497 -3.089684 20.43714 
1 1 1   -3    5   30 o   41.937   11.704   79.096   87.759  -7.5902  175.035  108.204  101.429   41.266   17.934   42.609   15.042 -1.342522 23.40749 
1 1 1   -3    5   31 o   86.038   10.732  540.469   88.389  454.358  197.742  561.971   98.809   78.911   19.773   93.165   8.3516 -14.25438 21.46423 
1 1 1   -3    5   32 o  137.010   8.9775  1229.74  156.202   0.0000   0.0000  1229.74  156.202  ?   ?   137.010   8.9775      ?      ? 
1 1 1   -3    5   33 o   36.811   16.271  -3.8690  149.638  -3.8690  149.638   0.0000   0.0000   36.811   16.271  ?   ?       ?      ? 
1 1 1   -3    5   34 o   42.617   17.292  103.729  146.017  103.729  146.017   0.0000   0.0000   42.617   17.292  ?   ?       ?      ? 
1 1 1   -3    7    1 o  267.452   2.7681  4494.52   93.504  4057.33  124.717  5055.72  141.301  252.757   3.8855  282.146   3.9436 -29.38875 5.536146 
1 1 1   -3    7    2 o  384.271   3.4454  9377.12  168.114  9256.96  235.597  9501.78  239.963  381.763   4.8596  386.778   4.8854 -5.014679 6.890786 
1 1 1   -3    7    3 o  148.674   2.4489  1400.42   46.058  1236.01   63.568  1582.12   66.826  139.509   3.5881  157.839   3.3339 -18.33037 4.897877 
1 1 1   -3    7    4 o  473.604   4.0363 14244.20  242.713 14431.11  347.333 14065.84  339.303  476.638   5.7382  470.569   5.6779 6.068909 8.072536 
1 1 1   -3    7    5 o  912.829   7.2296 52925.79  837.465 54205.65  1212.61 51758.64  1157.99  923.357   10.341  902.301   10.106 21.05627 14.45928 
1 1 1   -3    7    6 o  482.350   4.0998 14761.58  250.932 15194.42  363.889 14369.14  346.494  489.082   5.8588  475.619   5.7367 13.46359 8.199690 
1 1 1   -3    7    7 o  379.821   3.4280  9159.07  165.301  9310.77  237.132  9015.68  230.549  382.878   4.8770  376.763   4.8185 6.115051 6.855909 
1 1 1   -3    7    8 o  838.921   6.6816 44726.13  711.764 44326.86  997.944 45139.53  1015.46  835.114   9.4098  842.728   9.4885 -7.613647 13.36325 
1 1 1   -3    7    9 o  574.077   5.8702 20673.23  396.125 21648.53  718.462 20247.25  474.815  583.601   9.6942  564.553   6.6228 19.04852 11.74045 
1 1 1   -3    7   10 o  572.984   4.7554 20856.53  346.026 20820.95  489.301 20892.12  489.410  572.495   6.7302  573.473   6.7202 -0.9780273 9.510852 
1 1 1   -3    7   11 o  536.765   4.5152 18296.65  307.729 18015.59  430.553 18590.15  439.988  532.553   6.3663  540.977   6.4045 -8.424133 9.030337 
1 1 1   -3    7   12 o  250.667   2.8789  3992.63   91.590  3866.86  130.232  4115.72  128.835  246.758   4.1559  254.576   3.9851 -7.817856 5.757846 
1 1 1   -3    7   14 o  512.625   6.4028 16691.98  416.819 16691.98  416.819   0.0000   0.0000  512.625   6.4028  ?   ?       ?      ? 
1 1 1   -3    7   15 o  416.137   3.9101 10943.04  205.251 11461.35  311.629 10545.93  272.773  424.790   5.7768  407.484   5.2712 17.30609 7.820298 
1 1 1   -3    7   16 o  716.016   5.3589 32571.10  475.651 32581.46  760.272 32564.43  609.716  716.063   8.3606  715.970   6.7059 0.9301758E-01 10.71770 
1 1 1   -3    7   17 o  192.438   4.1588  2399.41   73.276  2285.20  184.693  2420.74   79.827  189.635   7.6693  195.241   3.2196 -5.605820 8.317685 
1 1 1   -3    7   18 o  319.372   3.9661  6486.67  132.218  6471.30  284.786  6490.90  149.282  319.066   7.0285  319.678   3.6772 -0.6116638 7.932281 
1 1 1   -3    7   19 o  268.531   3.8778  4490.88  103.162  4733.10  241.477  4436.80  114.099  272.779   6.9709  264.283   3.3996 8.496063 7.755677 
1 1 1   -3    7   20 o   74.242   8.5320  351.239   46.238  368.964  149.292  349.358   48.629   74.355   16.263   74.129   5.1657 0.2258911 17.06392 
1 1 1   -3    7   21 o  289.386   4.0056  5383.25  117.727  5232.34  261.356  5421.67  131.862  286.664   7.1793  292.109   3.5546 -5.445221 8.011102 
1 1 1   -3    7   22 o  211.880   4.1019  2880.94   84.639  2818.51  198.785  2894.77   93.541  210.323   7.4425  213.438   3.4511 -3.114853 8.203707 
1 1 1   -3    7   23 o  136.891   5.0258  1192.02   87.369   0.0000   0.0000  1192.02   87.369  ?   ?   136.891   5.0258      ?      ? 
1 1 1   -3    7   24 o  233.787   4.2223  3410.83   94.359  3588.48  230.983  3375.24  103.379  237.139   7.6701  230.436   3.5327 6.703247 8.444527 
1 1 1   -3    7   25 o  171.459   4.5453  1907.00   75.764  1823.85  177.205  1925.59   83.810  168.900   8.2617  174.018   3.7925 -5.117569 9.090549 
1 1 1   -3    7   26 o  155.930   5.4518  1539.49   77.345  1575.94  199.687  1533.06   83.893  156.637   10.039  155.222   4.2559 1.415039 10.90361 
1 1 1   -3    7   27 o  279.263   4.4837  4946.81  124.235  5028.73  287.381  4927.98  137.774  280.217   8.0758  278.308   3.8982 1.909515 8.967411 
1 1 1   -3    7   28 o   45.186   11.374  115.207   66.359   94.795  171.955  118.778   71.930   47.994   19.002   42.379   12.507 5.615021 22.74879 
1 1 1   -3    7   29 o   88.629   10.366  576.267   74.411  463.343  200.143  594.380   80.157   80.911   19.670   96.347   6.5513 -15.43629 20.73214 
1 1 1   -3    7   30 o   83.402   11.576  596.805   83.694  316.088  216.755  645.991   90.730   66.612   22.027  100.193   7.1308 -33.58037 23.15240 
1 1 1   -3    7   31 o   45.549   12.094  106.918   79.367  167.825  178.679   91.947   88.585   52.081   19.704   39.017   14.027 13.06466 24.18738 
1 1 1   -3    7   32 o   25.792   13.064 -725.0959  135.981 -678.0288  214.625 -756.6595  175.758   25.792   13.064  ?   ?       ?      ? 
1 1 1   -3    7   33 o   47.246   13.534  132.944  124.563  181.107  194.915   99.695  161.949   50.835   20.198   43.657   18.019 7.178173 27.06740 
1 1 1   -3    9    1 o  523.894   4.3988 17432.06  292.619 17608.92  417.820 17261.80  409.943  526.500   6.2490  521.287   6.1925 5.213196 8.797615 
1 1 1   -3    9    2 f  235.805   2.7101  3530.81   81.139  3429.64  114.104  3634.29  115.402  232.389   3.8664  239.222   3.7987 -6.833542 5.420271 
1 1 1   -3    9    3 o  468.724   4.0208 13954.98  239.333 13881.14  337.662 14029.52  339.280  467.478   5.6878  469.970   5.6847 -2.491791 8.041582 
1 1 1   -3    9    4 o  774.054   6.2028 38076.44  609.732 38104.87  863.019 38048.11  861.566  774.343   8.7763  773.766   8.7680 0.5763550 12.40568 
1 1 1   -3    9    5 f  374.282   3.4187  8852.35  161.964  9443.64  241.247  8367.15  218.537  385.602   4.9266  362.963   4.7412 22.63879 6.837388 
1 1 1   -3    9    6 o  237.426   3.4438  3654.71   98.982  3848.47  124.491  3321.71  163.204  246.169   3.9822  228.684   5.6198 17.48582 6.887651 
1 1 1   -3    9    7 f  778.579   6.2403 38519.70  616.981 38686.35  876.618 38356.11  868.523  780.246   8.8471  776.912   8.8030 3.334351 12.48056 
1 1 1   -3    9    8 o  353.260   3.3284  7924.09  149.304  7795.52  209.551  8056.66  212.780  350.350   4.7099  356.170   4.7043 -5.820099 6.656839 
1 1 1   -3    9    9 o  582.243   4.8377 21532.88  357.682 21356.14  502.787 21713.97  508.947  579.825   6.8282  584.662   6.8547 -4.836487 9.675344 
1 1 1   -3    9   10 o  886.595   7.0646 49944.54  795.271 50520.06  1137.64 49394.51  1112.16  891.585   10.048  881.606   9.9338 9.978882 14.12924 
1 1 1   -3    9   11 o  699.129   5.7011 31023.67  505.810 30290.13  699.603 31827.06  732.154  690.483   7.9785  707.776   8.1457 -17.29236 11.40215 
1 1 1   -3    9   12 o  928.224   7.3878 54727.09  870.396 53646.38  1207.52 55895.85  1255.75  918.702   10.350  937.747   10.545 -19.04529 14.77555 
1 1 1   -3    9   13 o  599.048   5.0036 22794.27  380.620 22532.22  534.471 23063.91  542.166  595.555   7.0668  602.540   7.0855 -6.984863 10.00719 
1 1 1   -3    9   14 o  454.372   4.0565 13111.63  233.981 13187.31  335.858 13040.26  326.154  455.643   5.8043  453.100   5.6683 2.543701 8.112932 
1 1 1   -3    9   15 o  256.088   3.1317  4164.67  101.280  4170.95  151.491  4159.60  136.190  256.259   4.6551  255.917   4.1905 0.3415985 6.263417 
1 1 1   -3    9   16 o  213.514   3.1906  2877.65   84.555  2981.00  135.782  2812.18  108.066  216.617   4.9360  210.412   4.0443 6.204773 6.381219 
1 1 1   -3    9   17 o  122.886   4.7101  1021.86   62.527  842.017  121.753  1086.28   72.871  115.018   8.3356  130.753   4.3886 -15.73495 9.420268 
1 1 1   -3    9   18 o  204.283   4.0766  2644.59   75.656  2666.98  195.255  2640.63   82.067  204.682   7.5118  203.883   3.1696 0.7992096 8.153147 
1 1 1   -3    9   19 o  326.866   4.0364  6771.70  136.693  6836.46  298.271  6754.48  153.795  327.694   7.1675  326.038   3.7145 1.656586 8.072767 
1 1 1   -3    9   20 o  136.974   5.0021  1098.38   55.832  1325.31  170.938  1071.28   59.072  144.105   9.3407  129.842   3.5825 14.26353 10.00420 
1 1 1   -3    9   21 o  216.585   3.9414  2948.59   81.596  3039.99  198.818  2930.07   89.479  218.432   7.1674  214.738   3.2812 3.694138 7.882759 
1 1 1   -3    9   22 o  270.120   4.0771  4528.49  105.966  4825.06  258.082  4468.35  116.214  275.085   7.3878  265.155   3.4513 9.929016 8.154160 
1 1 1   -3    9   23 o   46.223   10.563   97.481   47.443  199.647  151.738   86.411   49.947   56.174   18.423   36.273   10.340 19.90117 21.12590 
1 1 1   -3    9   24 o   30.244   10.007 -75.6662   50.063   31.340  170.421 -85.7725   52.374   43.817   18.316   16.672   8.0684 27.14500 20.01461 
1 1 1   -3    9   25 o  168.557   5.8099  2132.08   86.420  1397.03  204.364  2292.15   95.367  147.293   10.926  189.822   3.9561 -42.52908 11.61980 
1 1 1   -3    9   26 o  198.044   4.7179  2572.89   82.715  2411.47  215.868  2600.67   89.550  193.873   8.7678  202.214   3.4872 -8.340866 9.435845 
1 1 1   -3    9   27 o  191.329   4.8633  2353.16   82.556  2326.31  217.734  2357.66   89.218  190.170   9.0159  192.488   3.6498 -2.317841 9.726604 
1 1 1   -3    9   28 o  110.098   7.2924  686.318   64.902  926.385  204.590  659.456   68.437  118.577   13.586  101.620   5.3032 16.95744 14.58478 
1 1 1   -3    9   29 f  165.129   5.8529  1568.91   87.149  2058.65  240.257  1494.70   93.518  177.315   10.670  152.943   4.8149 24.37245 11.70583 
1 1 1   -3    9   30 o  186.906   6.6745  2286.73  156.056  2325.62  243.196  2259.51  203.471  187.746   10.200  186.066   8.6111 1.680054 13.34893 
1 1 1   -3    9   31 o   34.532   11.309 -225.3018  136.910 -654.6060  219.451   48.275  175.184   26.575   13.432   42.488   18.198 -15.91339 22.61809 
1 1 1   -3    9   32 o   24.820   12.373 -348.2492  156.639   0.0000   0.0000 -348.2492  156.639  ?   ?    24.820   12.373      ?      ? 
1 1 1   -3   11    1 f  247.956   4.2367  3904.50  133.407  3904.50  133.407   0.0000   0.0000  247.956   4.2367  ?   ?       ?      ? 
1 1 1   -3   11    2 o  682.339   7.8463 29578.60  679.899   0.0000   0.0000 29578.60  679.899  ?   ?   682.339   7.8463      ?      ? 
1 1 1   -3   11    3 o  404.674   3.7021 10397.98  190.198 10508.73  272.816 10293.24  265.303  406.770   5.2813  402.579   5.1894 4.190369 7.404182 
1 1 1   -3   11    4 o  195.562   4.0030  2577.06   90.929  2033.00  155.396  2860.34  112.129  178.897   6.8400  212.227   4.1604 -33.33006 8.005968 
1 1 1   -3   11    5 o  589.673   6.9334 22088.36  519.198   0.0000   0.0000 22088.36  519.198  ?   ?   589.673   6.9334      ?      ? 
1 1 1   -3   11    6 o  456.773   4.0563 13252.21  235.288 13187.44  333.471 13316.42  332.030  455.661   5.7629  457.885   5.7101 -2.224304 8.112688 
1 1 1   -3   11    7 o  478.807   4.2038 14516.97  255.160 13827.60  348.392 15314.59  374.749  466.585   5.8798  491.029   6.0097 -24.44391 8.407642 
1 1 1   -3   11    8 o  407.292   3.7835 10517.08  195.515 10048.52  269.807 11035.18  283.716  397.757   5.3414  416.827   5.3598 -19.07031 7.566941 
1 1 1   -3   11    9 o  596.185   4.9798 22578.93  377.009 22667.32  535.828 22492.26  530.554  597.340   7.0636  595.031   7.0212 2.309509 9.959515 
1 1 1   -3   11   10 o  887.641   7.0746 50044.89  797.023 51101.04  1150.61 49070.67  1105.08  896.628   10.105  878.653   9.9038 17.97485 14.14911 
1 1 1   -3   11   11 o  802.074   6.4468 40846.61  656.147 41864.93  950.747 39920.49  906.684  811.601   9.2245  792.547   9.0085 19.05402 12.89363 
1 1 1   -3   11   12 o  592.163   4.9457 22278.98  371.895 22416.36  529.600 22145.33  522.352  593.962   7.0212  590.364   6.9673 3.598450 9.891464 
1 1 1   -3   11   13 o  436.595   3.9150 12103.61  216.930 12303.78  313.373 11919.43  300.595  440.055   5.6076  433.134   5.4649 6.920868 7.830086 
1 1 1   -3   11   14 o  599.852   5.0139 22866.19  381.704 23314.25  551.554 22454.35  528.789  605.477   7.1732  594.227   7.0073 11.24969 10.02782 
1 1 1   -3   11   15 o   94.712   4.2077  568.041   50.051  586.054   77.234  554.998   65.719   95.992   6.3358   93.432   5.5388 2.559753 8.415460 
1 1 1   -3   11   16 o  277.219   3.1626  4880.57  110.982  4930.54  164.026  4838.38  150.721  278.516   4.6375  275.921   4.3014 2.595306 6.325233 
1 1 1   -3   11   17 o  293.322   3.2738  5445.14  121.080  5664.29  183.997  5277.77  160.802  298.488   4.8541  288.156   4.3943 10.33154 6.547642 
1 1 1   -3   11   18 o  331.644   3.5139  7014.71  147.546  6511.11  211.254  7494.33  206.162  319.965   5.1991  343.322   4.7286 -23.35739 7.027765 
1 1 1   -3   11   19 o   39.786   9.8597   73.968   49.113  128.764  119.999   62.943   53.828   47.062   16.379   32.509   10.981 14.55294 19.71930 
1 1 1   -3   11   20 o  373.547   4.3256  9100.19  173.104  8484.66  353.096  9294.93  198.608  364.736   7.6232  382.359   4.0902 -17.62262 8.651185 
1 1 1   -3   11   21 o   32.327   9.8317   23.024   37.613   4.8149  158.909   24.104   38.713   40.879   17.416   23.776   9.1293 17.10249 19.66337 
1 1 1   -3   11   22 o  376.851   4.4647  8992.92  173.332  9160.59  381.793  8949.39  194.536  378.600   7.9409  375.103   4.0839 3.497925 8.929485 
1 1 1   -3   11   23 o  161.202   5.1963  1569.99   67.561  1780.60  206.097  1544.63   71.513  166.551   9.7442  155.852   3.6132 10.69875 10.39253 
1 1 1   -3   11   24 o   97.559   9.4501  610.309   53.636  646.859  218.836  607.973   55.323   97.394   18.367   97.725   4.4578 -0.3313217 18.90015 
1 1 1   -3   11   25 o  109.913   7.2539  861.849   52.003  685.081  182.610  877.450   54.250  102.387   14.044  117.439   3.6375 -15.05196 14.50781 
1 1 1   -3   11   26 o  132.535   8.0446  1178.45  128.707  1006.62  208.535  1284.19  163.581  123.931   13.250  141.140   9.1265 -17.20903 16.08914 
1 1 1   -3   11   27 o  109.369   13.706  792.974  190.368  792.974  190.368   0.0000   0.0000  109.369   13.706  ?   ?       ?      ? 
1 1 1   -3   11   28 o  257.361   5.6672  4304.74  182.879  4193.27  279.665  4388.01  241.723  254.009   8.6699  260.714   7.3009 -6.705048 11.33444 
1 1 1   -3   11   29 o   24.187   12.269 -652.9705  193.804   0.0000   0.0000 -652.9705  193.804  ?   ?    24.187   12.269      ?      ? 
1 1 1   -3   13    1 o  316.763   4.0575  6256.48  153.266  6045.61  185.524  6709.70  271.993  308.529   4.7351  324.997   6.5902 -16.46808 8.114938 
1 1 1   -3   13    2 o  351.103   3.4649  7830.19  154.473  7695.31  218.662  7964.56  218.255  348.083   4.9467  354.122   4.8533 -6.038879 6.929898 
1 1 1   -3   13    3 o  659.918   5.4158 27667.63  453.851 27446.59  638.659 27893.13  645.072  657.255   7.6517  662.580   7.6664 -5.324158 10.83154 
1 1 1   -3   13    4 o  892.880   7.1109 50677.92  806.294 50705.29  1141.57 50650.67  1138.98  893.120   10.065  892.640   10.048 0.4794922 14.22177 
1 1 1   -3   13    5 o  645.162   5.3180 26428.09  435.464 26983.99  628.544 25914.97  603.874  651.677   7.5950  638.646   7.4457 13.03076 10.63591 
1 1 1   -3   13    6 o  696.840   5.6854 30846.58  502.992 30348.06  701.737 31373.35  721.344  691.055   7.9962  702.625   8.0843 -11.57001 11.37079 
1 1 1   -3   13    7 o  398.856   3.7427 10087.08  189.291 10429.92  276.927  9786.40  259.335  405.203   5.3816  392.509   5.2028 12.69379 7.485367 
1 1 1   -3   13    8 o  733.344   5.9546 34192.73  554.548 34115.20  783.735 34270.46  784.764  732.511   8.4251  734.177   8.4171 -1.665894 11.90925 
1 1 1   -3   13    9 o  162.702   3.2942  1675.24   67.924  1825.11   99.468  1544.28   92.978  169.495   4.6211  155.909   4.6960 13.58585 6.588441 
1 1 1   -3   13   10 o  171.080   3.1524  1866.77   68.190  1761.61   99.399  1960.26   93.722  166.506   4.7009  175.655   4.2015 -9.149338 6.304810 
1 1 1   -3   13   11 o  191.379   3.1135  2327.58   75.635  2321.87  108.567  2332.97  105.430  191.149   4.4725  191.610   4.3328 -0.4609833 6.227092 
1 1 1   -3   13   12 o  151.653   3.3475  1461.37   64.259  1467.32   94.868  1456.33   87.349  151.932   4.9169  151.374   4.5439 0.5576782 6.695027 
1 1 1   -3   13   13 o  275.229   3.1523  4814.50  110.042  4818.25  159.671  4811.10  151.868  275.325   4.5667  275.134   4.3465 0.1909790 6.304525 
1 1 1   -3   13   14 o  424.562   3.8690 11464.50  208.585 11413.30  296.362 11514.75  293.624  423.618   5.5090  425.506   5.4338 -1.887970 7.737924 
1 1 1   -3   13   15 o  138.283   3.4398  1220.65   59.862  1178.04   90.069  1254.36   80.118  136.098   5.2113  140.467   4.4914 -4.369049 6.879663 
1 1 1   -3   13   16 o  328.337   3.3655  6857.75  140.255  6777.19  200.984  6934.21  195.819  326.448   4.8481  330.226   4.6694 -3.778687 6.731090 
1 1 1   -3   13   17 o   79.567   5.2650  396.987   51.718  431.318   85.097  376.880   65.126   82.218   8.1502   76.916   6.6674 5.301506 10.52998 
1 1 1   -3   13   18 f   28.374   8.4338  -1.0150   46.638   40.314   89.651 -16.3493   54.608   34.411   13.690   22.337   9.8534 12.07396 16.86759 
1 1 1   -3   13   19 f   38.517   9.5985   68.687   49.236  125.926  109.729   54.257   55.094   45.806   15.677   31.228   11.080 14.57802 19.19696 
1 1 1   -3   13   20 o  273.130   3.5359  4824.74  120.618  4187.63  179.763  5346.48  162.674  256.390   5.5210  289.871   4.4191 -33.48148 7.071811 
1 1 1   -3   13   21 o  396.907   4.8617 10422.02  203.099  9405.72  420.784 10730.70  231.900  383.198   8.6469  410.616   4.4472 -27.41879 9.723481 
1 1 1   -3   13   22 o   46.043   12.986   81.141  113.024   35.051  186.755  107.779  141.977   45.611   19.128   46.475   17.569 -0.8640404 25.97200 
1 1 1   -3   13   23 o  100.651   10.153  693.105  118.058  601.918  197.710  743.636  147.177   94.013   17.194  107.288   10.802 -13.27551 20.30542 
1 1 1   -3   13   24 o  168.015   6.8246  1861.22  140.675  1654.45  222.745  1998.41  181.438  159.675   10.985  176.356   8.1014 -16.68097 13.64917 
1 1 1   -3   13   25 o   76.324   12.202  419.010  119.062  279.914  179.230  528.874  159.287   63.368   19.955   89.280   14.049 -25.91191 24.40440 
1 1 1   -3   13   26 o   63.712   13.815  298.021  121.375  239.140  209.626  327.717  148.867   59.776   21.568   67.648   17.270 -7.872612 27.62961 
1 1 1   -3   15    1 o  721.504   5.8790 33114.82  538.349 32303.18  745.881 33997.43  777.803  712.300   8.2457  730.708   8.3820 -18.40796 11.75798 
1 1 1   -3   15    2 o  274.713   3.2332  4800.45  112.688  4614.78  160.583  4980.58  158.173  269.468   4.6926  279.957   4.4490 -10.48911 6.466382 
1 1 1   -3   15    3 o  290.885   4.0496  5316.73  138.792  5549.18  250.440  5213.70  166.740  295.348   6.6772  286.422   4.5841 8.925262 8.099285 
1 1 1   -3   15    4 o   68.048   7.1108  310.379   57.505  247.961   88.316  356.319   75.767   61.290   11.775   74.807   7.9755 -13.51663 14.22150 
1 1 1   -3   15    5 o  175.267   3.4350  1964.70   75.960  1746.72  109.082  2169.92  105.840  165.757   5.1821  184.776   4.5105 -19.01933 6.870098 
1 1 1   -3   15    6 o  331.715   3.3922  6993.32  142.867  7041.62  204.522  6947.28  199.655  332.830   4.8388  330.599   4.7556 2.230804 6.784497 
1 1 1   -3   15    7 o  378.730   3.6404  9118.17  174.999  9161.97  251.796  9077.24  243.389  379.602   5.2233  377.858   5.0722 1.744812 7.280766 
1 1 1   -3   15    8 o  371.678   3.6047  8783.19  170.130  8625.30  239.874  8943.01  241.333  368.314   5.1285  375.042   5.0671 -6.728088 7.209474 
1 1 1   -3   15    9 o   61.733   7.1333  247.750   54.000  241.756   82.209  252.299   71.618   60.568   11.097   62.898   8.9662 -2.329758 14.26658 
1 1 1   -3   15   10 o  247.065   3.1808  3877.33   99.728  3958.41  144.317  3803.23  137.970  249.531   4.5542  244.599   4.4418 4.932861 6.361612 
1 1 1   -3   15   11 o  113.916   3.9884  823.605   57.556  853.011   84.977  798.680   78.234  115.785   5.7793  112.048   5.4981 3.736954 7.976803 
1 1 1   -3   15   12 o  216.405   3.1970  2979.88   87.743  2930.15  126.793  3025.57  121.548  214.663   4.6511  218.147   4.3875 -3.484909 6.394033 
1 1 1   -3   15   13 o   62.846   6.5801  251.989   52.073  255.206   79.157  249.535   69.139   63.175   9.8666   62.517   8.7086 0.6574020 13.16016 
1 1 1   -3   15   14 o   80.588   5.3502  413.927   54.728  424.199   78.926  404.414   75.953   81.547   7.6213   79.628   7.5111 1.919151 10.70048 
1 1 1   -3   15   15 o  406.978   3.8307 10538.70  197.830 10677.44  286.228 10411.81  273.737  409.524   5.5037  404.432   5.3298 5.092438 7.661425 
1 1 1   -3   15   16 o  132.669   3.7429  1120.14   62.498  1124.79   95.021  1116.59   82.971  132.887   5.6306  132.450   4.9328 0.4372559 7.485775 
1 1 1   -3   15   17 o  247.742   3.3751  3905.18  105.814  3926.05  156.498  3887.61  143.617  248.327   4.9626  247.158   4.5757 1.169205 6.750108 
1 1 1   -3   15   18 o   45.682   7.8787  122.418   62.246 -71.7426   94.472  271.373   82.746   26.371   12.157   64.993   10.025 -38.62199 15.75730 
1 1 1   -3   15   19 o  121.071   5.3047  1018.07   72.616  743.513  126.438  1153.20   88.704  107.612   9.2521  134.529   5.1922 -26.91754 10.60946 
1 1 1   -3   15   20 o  201.984   3.6224  2622.08   89.662  2514.34  145.958  2687.39  113.631  198.518   5.7896  205.449   4.3553 -6.930298 7.244848 
1 1 1   -3   15   21 o  270.385   5.6200  4666.44  192.972  4666.44  192.972   0.0000   0.0000  270.385   5.6200  ?   ?       ?      ? 
1 1 1   -3   15   22 o   99.175   10.017  638.763  122.028  692.081  202.942  608.568  152.721  101.934   15.678   96.416   12.473 5.517715 20.03404 
1 1 1   -3   15   23 o   45.654   17.429  109.111  140.583   0.0000   0.0000  109.111  140.583  ?   ?    45.654   17.429      ?      ? 
1 1 1   -3   17    1 o  176.607   3.5738  1989.16   79.673  1930.45  118.371  2037.79  107.728  174.200   5.3508  179.014   4.7387 -4.814072 7.147535 
1 1 1   -3   17    2 o  143.887   4.0138  1314.05   72.811  1344.45  110.345  1290.61   96.901  145.340   5.9785  142.433   5.3572 2.906631 8.027543 
1 1 1   -3   17    3 o  215.057   3.3387  2933.54   90.812  3021.31  135.465  2861.89  122.384  217.960   4.8941  212.155   4.5425 5.804718 6.677318 
1 1 1   -3   17    4 o  317.797   3.4419  6425.25  138.771  6374.82  200.319  6471.78  192.422  316.586   4.9826  319.009   4.7498 -2.423279 6.883779 
1 1 1   -3   17    5 o   43.838   9.2041  122.498   60.847   33.996   92.255  190.641   80.951   34.207   13.792   53.468   12.192 -19.26144 18.40823 
1 1 1   -3   17    6 o  153.676   3.8730  1510.72   74.972  1432.28  111.701  1575.03  101.137  150.002   5.8638  157.350   5.0613 -7.347885 7.746068 
1 1 1   -3   17    7 o  212.186   3.4424  2864.13   92.379  2861.59  136.953  2866.25  125.134  212.082   5.0850  212.290   4.6416 -0.2074280 6.884886 
1 1 1   -3   17    8 o  139.933   4.0963  1239.47   72.531  1331.01  108.335  1165.10   97.646  144.582   5.9003  135.285   5.6836 9.297241 8.192545 
1 1 1   -3   17    9 f   80.240   6.4007  407.696   64.875  451.523   98.106  373.639   86.484   84.026   9.1939   76.453   8.9076 7.573006 12.80135 
1 1 1   -3   17   10 o  385.030   3.7338  9435.81  182.499  9479.82  262.003  9394.34  254.352  385.889   5.3464  384.170   5.2136 1.719452 7.467649 
1 1 1   -3   17   11 o   96.387   5.2214  598.436   63.285  541.785   93.358  646.599   86.080   92.085   7.9834  100.689   6.7320 -8.604050 10.44289 
1 1 1   -3   17   12 o  188.557   3.4777  2261.52   82.714  2278.17  124.615  2248.40  110.588  189.150   5.1878  187.964   4.6329 1.186127 6.955406 
1 1 1   -3   17   13 o  200.722   7.8654  2575.90  200.490   0.0000   0.0000  2575.90  200.490  ?   ?   200.722   7.8654      ?      ? 
1 1 1   -3   17   14 o  149.669   12.682  1449.39  241.039  1449.39  241.039   0.0000   0.0000  149.669   12.682  ?   ?       ?      ? 
1 1 1   -3   17   15 o   75.937   8.0569  398.784   71.230  261.215  105.244  515.067   96.760   62.227   13.690   89.647   8.4993 -27.41978 16.11371 
1 1 1   -3   17   16 o  338.536   3.6317  7292.07  155.872  7494.05  228.253  7115.56  213.372  342.896   5.2418  334.175   5.0279 8.720795 7.263311 
1 1 1   -3   17   17 o  164.574   3.7706  1721.38   78.260  1775.73  118.615  1679.48  104.144  166.830   5.5987  162.318   5.0523 4.512115 7.541295 
1 1 1   -3   17   18 o  255.587   3.4325  4146.49  110.700  4324.77  167.667  4008.73  147.392  260.387   5.0705  250.787   4.6280 9.599579 6.864995 
1 1 1   -3   17   19 o  209.955   3.4559  2807.69   90.982  2845.59  140.666  2780.44  119.294  211.091   5.2474  208.819   4.4985 2.272446 6.911714 
1 1 1   -3   17   20 o   50.988   10.352  159.700   66.425  240.507  121.905  125.576   79.219   58.666   15.945   43.311   13.205 15.35513 20.70333 
1 1 1   -3   19    1 o  224.898   3.6640  3203.60  103.636  3341.34  159.359  3102.66  136.427  229.026   5.4792  220.770   4.8661 8.256027 7.328057 
1 1 1   -3   19    2 o  126.590   5.1457  1021.91   81.756  1032.99  125.889  1013.83  107.514  127.129   7.7977  126.051   6.7164 1.078003 10.29144 
1 1 1   -3   19    3 o  317.416   3.6180  6411.50  145.460  6474.08  214.037  6357.79  198.287  318.824   5.2864  316.008   4.9410 2.815369 7.236016 
1 1 1   -3   19    4 o  179.169   4.0745  2044.54   92.320  2059.99  137.195  2031.76  124.803  179.758   6.0100  178.579   5.5032 1.178406 8.148933 
1 1 1   -3   19    5 o  289.021   5.1075  5319.75  187.462  5319.75  187.462   0.0000   0.0000  289.021   5.1075  ?   ?       ?      ? 
1 1 1   -3   19    6 o  315.559   5.3164  6343.52  213.046  6343.52  213.046   0.0000   0.0000  315.559   5.3164  ?   ?       ?      ? 
1 1 1   -3   19    7 o  270.246   5.5996  4654.70  192.174  4654.70  192.174   0.0000   0.0000  270.246   5.5996  ?   ?       ?      ? 
1 1 1   -3   19    9 o   92.851   7.3454  554.496   85.309  558.966  132.822  551.356  111.301   93.059   11.239   92.643   9.4604 0.4158630 14.69070 
1 1 1   -3   19   10 o  120.734   5.3211  918.515   80.951  1059.72  124.044  813.768  106.837  128.685   7.5905  112.783   7.4594 15.90276 10.64226 
1 1 1   -3   19   11 o  408.457   4.0113 10643.83  207.973 10600.12  298.424 10685.11  289.995  407.611   5.7651  409.304   5.5791 -1.692657 8.022694 
1 1 1   -3   19   12 f  196.517   3.8284  2473.29   95.122  2320.42  138.324  2610.43  131.018  190.682   5.7123  202.351   5.0986 -11.66931 7.656747 
1 1 1   -3   19   13 o   88.220   6.7933  512.660   73.923  378.796  105.459  641.971  103.650   76.463   10.861   99.977   8.1638 -23.51382 13.58668 
1 1 1   -3   19   14 o  215.455   3.6558  2967.56   99.438  2917.07  148.218  3008.88  134.093  213.722   5.4610  217.189   4.8617 -3.466675 7.311584 
1 1 1   -3   19   15 o   86.154   6.6665  477.853   72.728  522.287  107.751  440.670   98.568   89.808   9.4477   82.500   9.4081 7.308304 13.33308 
1 1 1   -3   19   16 o   81.042   7.3298  431.292   70.799  420.798  122.532  436.552   86.745   79.903   12.076   82.181   8.3118 -2.277359 14.65963 
1 1 1   -3   19   17 o  197.967   4.3833  2518.25  110.190  2484.11  155.782  2552.43  155.882  196.609   6.2393  199.325   6.1582 -2.716064 8.766568 
1 1 1   -3   19   18 o  106.526   8.0798  738.123  109.304  738.123  109.304   0.0000   0.0000  106.526   8.0798  ?   ?       ?      ? 
1 1 1   -3   21    1 o  115.913   6.1765  868.255   90.074  833.398  135.373  895.947  120.661  113.701   9.3754  118.125   8.0435 -4.424065 12.35297 
1 1 1   -3   21    2 o  144.768   5.2364  1329.06   95.631  1470.23  145.861  1222.63  126.650  151.403   7.5862  138.133   7.2199 13.27075 10.47271 
1 1 1   -3   21    3 f   95.062   7.4232  584.269   88.690  591.258  135.796  579.070  117.119   95.429   11.205   94.696   9.7391 0.7333755 14.84631 
1 1 1   -3   21    4 o  105.843   6.6341  725.753   88.443  698.262  132.345  747.938  118.890  103.904   10.030  107.783   8.6860 -3.878868 13.26821 
1 1 1   -3   21    5 o  175.130   4.5300  1982.57   99.610  1790.24  147.733  2142.90  134.881  167.140   6.9602  183.120   5.8001 -15.97972 9.060096 
1 1 1   -3   21    6 o  162.824   4.7530  1682.09   97.070  2092.72  144.575  1345.04  130.984  180.833   6.2956  144.815   7.1224 36.01790 9.506002 
1 1 1   -3   21    7 o  198.727   4.1578  2527.99  104.765  2359.22  147.811  2698.36  148.511  192.011   6.0618  205.443   5.6923 -13.43140 8.315545 
1 1 1   -3   21    8 o   71.150   9.5659  329.893   83.749  449.241  130.161  245.579  109.402   82.674   12.398   59.626   14.572 23.04734 19.13187 
1 1 1   -3   21    9 o  185.092   4.1895  2208.78   97.589  2066.33  145.248  2326.01  131.760  179.491   6.3722  190.694   5.4409 -11.20358 8.379046 
1 1 1   -3   21   10 o  109.086   6.1316  767.024   84.622  818.155  126.524  725.639  113.828  112.306   8.8715  105.866   8.4667 6.440254 12.26329 
1 1 1   -3   21   11 o   71.266   9.0075  345.206   79.065  327.095  117.588  360.150  106.815   68.674   13.959   73.858   11.388 -5.184265 18.01510 
1 1 1   -3   21   12 o  169.328   4.4370  1849.41   94.751  1808.58  141.697  1882.44  127.431  167.488   6.6619  171.167   5.8624 -3.678299 8.874052 
1 1 1   -3   21   13 o   73.731   11.788  401.131  111.356  281.192  163.902  503.961  151.762   61.583   19.032   85.879   13.915 -24.29558 23.57678 
1 1 1   -3   21   14 o  285.741   5.3293  5290.14  192.870  4987.59  261.365  5651.88  285.786  276.908   7.4325  294.573   7.6396 -17.66586 10.65858 
1 1 1   -3   21   15 o   38.716   16.698   26.211  149.415   26.211  149.415   0.0000   0.0000   38.716   16.698  ?   ?       ?      ? 
1 1 1   -3   23    1 o   90.214   8.8518  822.223  119.008 -253.4694  199.000  1421.12  148.486   32.787   15.833  147.640   7.9196 -114.8529 17.70360 
1 1 1   -3   23    2 o  107.625   8.8368  1141.98  124.536 -184.0277  190.465  2132.22  164.594   33.986   16.163  181.264   7.1503 -147.2773 17.67369 
1 1 1   -3   23    3 o  280.647   5.6869  5072.01  202.682   0.0000   0.0000  5072.01  202.682  ?   ?   280.647   5.6869      ?      ? 
1 1 1   -3   23    4 o  378.091   6.3706  9242.42  305.882  9242.42  305.882   0.0000   0.0000  378.091   6.3706  ?   ?       ?      ? 
1 1 1   -3   23    5 o   30.361   10.315 -176.6404  109.459 -178.6087  183.879 -175.5602  136.224   33.264   15.837   27.458   13.220 5.806057 20.62903 
1 1 1   -3   23    6 o   86.449   10.171  546.473  102.590  459.945  166.677  599.246  130.168   78.448   17.204   94.449   10.852 -16.00122 20.34123 
1 1 1   -3   23    7 o  136.247   5.7759  1231.34   98.647  1025.18  140.885  1429.65  138.171  124.514   8.9098  147.980   7.3525 -23.46618 11.55176 
1 1 1   -3   23    8 f   47.836   10.870  143.933   91.507 -34.5068  136.892  288.073  123.034   33.521   15.133   62.151   15.610 -28.62957 21.74089 
1 1 1   -3   23    9 o   37.078   11.564 -21.9658  108.015   87.170  164.965 -103.8715  142.911   43.403   18.072   30.752   14.433 12.65158 23.12773 
1 1 1   -3   23   10 o  143.403   6.5430  1371.49  118.014  1427.32  181.098  1330.28  155.586  145.465   9.8034  141.341   8.6681 4.124344 13.08602 
1 1 1   -3   23   11 o   32.644   10.646 -59.5754  102.766 -75.8125  146.843 -43.9896  143.868   32.062   14.910   33.226   15.200 -1.164375 21.29169 
1 1 1   -2    0    1 o   39.654   3.0307  103.306   20.945  103.306   20.945  103.306   20.945   39.654   4.2861   39.654   4.2861 -0.000000 0.000000 
1 1 1   -2    0    2 o   7.7919   3.8745 -23.8558   21.059 -23.8558   21.059 -23.8558   21.059   7.7919   5.4794   7.7919   5.4794 -0.000000 0.000000 
1 1 1   -2    0    3 o  859.837   9.6620 47013.10  1491.18 47013.10  1491.18 47013.10  1491.18  859.837   13.664  859.837   13.664 -0.000000 0.000000 
1 1 1   -2    0    5 o  679.620   7.8096 29366.18  952.638 29366.18  952.638 29366.18  952.638  679.620   11.044  679.620   11.044 -0.000000 0.000000 
1 1 1   -2    0    6 o  256.402   2.5987  4177.21  119.613  4177.21  119.613  4177.21  119.613  256.402   3.6752  256.402   3.6752 -0.000000 0.000000 
1 1 1   -2    0    7 o  693.113   5.5821 30525.83  694.656 30525.83  694.656 30525.83  694.656  693.113   7.8943  693.113   7.8943 -0.000000 0.000000 
1 1 1   -2    0    8 o  293.357   2.8402  5467.99  149.572  5467.99  149.572  5467.99  149.572  293.357   4.0166  293.357   4.0166 -0.000000 0.000000 
1 1 1   -2    0    9 o  454.808   3.8855 13142.62  317.263 13142.62  317.263 13142.62  317.263  454.808   5.4949  454.808   5.4949 -0.000000 0.000000 
1 1 1   -2    0   10 o  791.541   6.3166 39818.93  897.688 39818.93  897.688 39818.93  897.688  791.541   8.9330  791.541   8.9330 -0.000000 0.000000 
1 1 1   -2    0   11 o  683.066   5.5216 29648.55  677.158 29648.55  677.158 29648.55  677.158  683.066   7.8087  683.066   7.8087 -0.000000 0.000000 
1 1 1   -2    0   12 o  758.176   6.0745 36529.10  826.886 36529.10  826.886 36529.10  826.886  758.176   8.5906  758.176   8.5906 -0.000000 0.000000 
1 1 1   -2    0   13 o  697.609   5.6283 30923.91  704.945 30923.91  704.945 30923.91  704.945  697.609   7.9596  697.609   7.9596 -0.000000 0.000000 
1 1 1   -2    0   14 o  303.234   2.9929  5842.50  162.918  5842.50  162.918  5842.50  162.918  303.234   4.2326  303.234   4.2326 -0.000000 0.000000 
1 1 1   -2    0   15 o  531.281   4.4544 17933.44  424.886 17933.44  424.886 17933.44  424.886  531.281   6.2995  531.281   6.2995 -0.000000 0.000000 
1 1 1   -2    0   16 f   81.180   5.6360  430.545   80.352  430.545   80.352  430.545   80.352   81.180   7.9705   81.180   7.9705 -0.000000 0.000000 
1 1 1   -2    0   17 o  356.170   3.4887  8060.44  223.061  8060.44  223.061  8060.44  223.061  356.170   4.9337  356.170   4.9337 -0.000000 0.000000 
1 1 1   -2    0   18 o  119.178   4.0994  908.385   87.268  908.385   87.268  908.385   87.268  119.178   5.7974  119.178   5.7974 -0.000000 0.000000 
1 1 1   -2    0   19 o  619.376   4.3204 24370.84  480.481 24370.84  480.481 24370.84  480.481  619.376   6.1100  619.376   6.1100 -0.000000 0.000000 
1 1 1   -2    0   20 o   30.353   12.199   75.931  103.407   75.931  103.407   75.931  103.407   30.353   17.252   30.353   17.252 -0.000000 0.000000 
1 1 1   -2    0   21 o  520.560   4.7769 17226.55  446.421 17226.55  446.421 17226.55  446.421  520.560   6.7556  520.560   6.7556 -0.000000 0.000000 
1 1 1   -2    0   22 f  325.305   4.0593  6730.59  236.990  6730.59  236.990  6730.59  236.990  325.305   5.7407  325.305   5.7407 -0.000000 0.000000 
1 1 1   -2    0   23 o  373.169   4.1414  8856.60  277.401  8856.60  277.401  8856.60  277.401  373.169   5.8569  373.169   5.8569 -0.000000 0.000000 
1 1 1   -2    0   24 o  313.280   4.0688  6244.42  228.752  6244.42  228.752  6244.42  228.752  313.280   5.7542  313.280   5.7542 -0.000000 0.000000 
1 1 1   -2    0   25 o   49.174   14.309  217.256  125.054  217.256  125.054  217.256  125.054   49.174   20.236   49.174   20.236 -0.000000 0.000000 
1 1 1   -2    0   26 o   18.249   9.2063 -197.1198  134.523 -197.1198  134.523 -197.1198  134.523   18.249   13.020   18.249   13.020 -0.000000 0.000000 
1 1 1   -2    0   27 o  249.768   4.4496  3976.75  199.310  3976.75  199.310  3976.75  199.310  249.768   6.2927  249.768   6.2927 -0.000000 0.000000 
1 1 1   -2    0   29 o   28.976   13.389 -14.9749  171.425 -14.9749  171.425 -14.9749  171.425   28.976   18.935   28.976   18.935 -0.000000 0.000000 
1 1 1   -2    0   30 o   96.742   11.017  648.869  176.526  648.869  176.526  648.869  176.526   96.742   15.581   96.742   15.581 -0.000000 0.000000 
1 1 1   -2    0   31 o  118.315   8.5207  929.750  176.748  929.750  176.748  929.750  176.748  118.315   12.050  118.315   12.050 -0.000000 0.000000 
1 1 1   -2    0   32 o  186.173   5.7038  2234.98  189.894  2234.98  189.894  2234.98  189.894  186.173   8.0663  186.173   8.0663 -0.000000 0.000000 
1 1 1   -2    0   33 o   60.175   16.328  336.254  166.825  336.254  166.825  336.254  166.825   60.175   23.091   60.175   23.091 -0.000000 0.000000 
1 1 1   -2    0   34 o   23.262   11.267 -75.2398  150.033 -75.2398  150.033 -75.2398  150.033   23.262   15.935   23.262   15.935 -0.000000 0.000000 
1 1 1   -2    0   35 o   55.920   15.969  313.145  156.604  313.145  156.604  313.145  156.604   55.920   22.583   55.920   22.583 -0.000000 0.000000 
1 1 1   -2    2    1 o  441.413   5.3199 12374.62  298.211 12374.62  298.211   0.0000   0.0000  441.413   5.3199  ?   ?       ?      ? 
1 1 1   -2    2    3 o  543.917   4.4933 18686.37  309.142 17679.16  415.367 19937.09  462.863  527.582   6.1996  560.252   6.5057 -32.66986 8.986599 
1 1 1   -2    2    5 o  469.208   3.9729 13972.40  236.613 13653.49  328.441 14316.50  341.164  463.647   5.5782  474.769   5.6585 -11.12183 7.945751 
1 1 1   -2    2    6 o  506.619   4.2461 16229.73  272.359 15405.88  368.168 17225.57  404.775  492.486   5.8867  520.752   6.1208 -28.26639 8.492201 
1 1 1   -2    2    7 o  514.448   4.3139 16802.30  281.712 17128.51  405.637 16498.37  391.538  519.267   6.1513  509.629   6.0498 9.637512 8.627808 
1 1 1   -2    2    8 o  569.165   4.7130 20578.65  340.612 20744.27  486.191 20419.02  477.327  571.412   6.7001  566.918   6.6301 4.493896 9.425975 
1 1 1   -2    2    9 o  523.664   5.0931 17070.89  286.159 18087.20  601.774 16773.92  325.290  533.437   8.8833  513.891   4.9845 19.54517 10.18616 
1 1 1   -2    2   10 o  451.664   4.4764 13162.72  226.463 12528.06  434.825 13398.95  265.282  444.019   7.7114  459.308   4.5481 -15.28827 8.952707 
1 1 1   -2    2   11 f  336.144   3.6401  7447.05  139.738  6546.64  254.423  7836.00  167.218  321.021   6.2409  351.267   3.7486 -30.24518 7.280123 
1 1 1   -2    2   12 o  248.318   3.1692  4040.83   88.673  3643.22  166.218  4199.00  104.838  239.494   5.4652  257.142   3.2104 -17.64801 6.338388 
1 1 1   -2    2   13 o  667.657   6.2450 28551.78  464.000 27864.88  905.778 28796.17  540.271  662.030   10.774  673.284   6.3188 -11.25397 12.49004 
1 1 1   -2    2   14 o  536.268   5.4951 18605.81  364.555 16597.44  566.343 20026.74  476.369  511.061   8.7263  561.474   6.6809 -50.41229 10.99010 
1 1 1   -2    2   15 o  467.557   5.0304 13731.86  279.625 14327.69  496.087 13454.40  338.526  474.870   8.2263  460.245   5.7920 14.62485 10.06077 
1 1 1   -2    2   16 o  351.060   4.0756  7951.75  160.979  7559.49  306.851  8100.70  189.089  344.968   7.0044  357.153   4.1690 -12.18518 8.151242 
1 1 1   -2    2   17 o  547.697   9.3457 19062.23  650.025 19062.23  650.025   0.0000   0.0000  547.697   9.3457  ?   ?       ?      ? 
1 1 1   -2    2   18 o   87.440   6.4885  485.679   72.050   0.0000   0.0000  485.679   72.050  ?   ?    87.440   6.4885      ?      ? 
1 1 1   -2    2   19 o  693.188   6.5935 30081.62  494.594 31419.66  1023.78 29674.27  564.887  702.918   11.469  683.459   6.5084 19.45911 13.18701 
1 1 1   -2    2   20 o  385.057   4.2931  9341.85  183.495  9582.95  364.120  9259.77  212.443  388.300   7.3841  381.815   4.3814 6.484894 8.586162 
1 1 1   -2    2   21 o  369.573   4.2207  8714.96  175.764  8612.62  337.561  8753.02  205.874  367.979   7.2236  371.167   4.3677 -3.188110 8.441368 
1 1 1   -2    2   22 o  579.502   5.6719 21579.85  367.026 20979.04  711.725 21797.50  428.380  573.543   9.7717  585.461   5.7617 -11.91760 11.34386 
1 1 1   -2    2   23 o  376.195   4.3452  8933.51  180.316  9147.49  360.987  8862.37  208.142  378.988   7.5005  373.403   4.3894 5.584930 8.690457 
1 1 1   -2    2   24 o  126.275   5.3672  917.662   74.757  1221.01  158.114  830.331   84.838  138.319   9.0014  114.231   5.8483 24.08767 10.73443 
1 1 1   -2    2   25 o   60.693   10.476  248.774   71.383  214.167  152.139  258.543   80.833   57.809   18.405   63.577   10.012 -5.768391 20.95155 
1 1 1   -2    2   26 o  271.197   4.2576  4676.57  126.434  4701.39  254.706  4668.45  145.644  271.455   7.3886  270.938   4.2330 0.5169067 8.515273 
1 1 1   -2    2   27 o  345.033   4.3216  7611.50  188.404  7335.43  277.836  7846.51  256.347  339.146   6.4509  350.919   5.7523 -11.77307 8.643139 
1 1 1   -2    2   28 o  301.883   4.6003  5662.83  172.967  6596.30  279.788  5085.39  220.055  321.404   6.8549  282.361   6.1369 39.04224 9.200592 
1 1 1   -2    2   29 o  109.966   8.8654  775.716  121.730  832.572  193.127  738.239  156.798  113.095   13.447  106.838   11.557 6.256393 17.73076 
1 1 1   -2    2   30 o  124.157   8.5575  986.008  129.055  1445.07  196.894  640.237  170.880  149.473   10.373   98.841   13.614 50.63162 17.11506 
1 1 1   -2    2   31 f  203.736   5.6491  2648.05  143.649  2813.60  227.845  2538.84  185.064  208.737   8.5953  198.735   7.3328 10.00157 11.29820 
1 1 1   -2    2   32 o   35.198   11.503 -122.5087  120.767 -38.4819  181.399 -189.3999  161.849   39.561   17.674   30.834   14.729 8.726759 23.00699 
1 1 1   -2    2   33 o  253.866   7.2041  4186.01  232.255  4186.01  232.255   0.0000   0.0000  253.866   7.2041  ?   ?       ?      ? 
1 1 1   -2    2   34 f   58.415   12.861  267.486  105.724  278.243  148.162  256.326  150.910   59.582   18.035   57.248   18.341 2.334633 25.72295 
1 1 1   -2    2   35 o  109.743   11.485  844.884  160.059  844.884  160.059   0.0000   0.0000  109.743   11.485  ?   ?       ?      ? 
1 1 1   -2    4    2 o  847.397   6.7261 45538.03  722.661 47274.60  1058.77 44023.39  988.805  862.479   9.6667  832.316   9.3550 30.16235 13.45217 
1 1 1   -2    4    3 o  222.534   2.4504  3144.42   69.244  3185.45   98.531  3104.40   97.332  223.968   3.4643  221.100   3.4665 2.867691 4.900761 
1 1 1   -2    4    4 o  565.913   4.6627 20335.31  334.985 20690.67  481.259 20001.33  466.562  570.705   6.6403  561.121   6.5475 9.583862 9.325435 
1 1 1   -2    4    5 o  528.804   4.4023 17620.39  293.987 19093.20  445.290 16482.37  391.422  548.228   6.3959  509.381   6.0510 38.84723 8.804667 
1 1 1   -2    4    6 o  782.176   6.2492 38843.82  620.241 37899.03  856.632 39884.88  899.222  772.199   8.7355  792.153   8.9388 -19.95453 12.49846 
1 1 1   -2    4    7 o  685.891   5.5441 29887.96  482.804 30276.67  691.358 29517.94  674.528  690.239   7.8872  681.542   7.7934 8.696777 11.08813 
1 1 1   -2    4    8 o  378.853   3.4001  9097.66  163.363  9466.82  238.742  8772.62  224.021  386.064   4.8696  371.643   4.7466 14.42142 6.800239 
1 1 1   -2    4    9 o  275.488   3.9437  4819.90  137.969   0.0000   0.0000  4819.90  137.969  ?   ?   275.488   3.9437      ?      ? 
1 1 1   -2    4   10 o  373.897   3.4116  8865.96  161.868  8485.20  224.016  9281.96  234.153  365.509   4.8262  382.284   4.8232 -16.77551 6.823155 
1 1 1   -2    4   11 o  483.942   4.1444 14689.32  252.344 16223.04  390.376 13588.48  330.730  505.361   6.0828  462.524   5.6307 42.83737 8.288866 
1 1 1   -2    4   12 o  875.824   8.0195 49092.26  779.354 48120.82  1529.72 49432.81  905.715  869.630   13.852  882.018   8.0860 -12.38818 16.03902 
1 1 1   -2    4   13 o  799.895   7.4604 39926.13  639.429 42075.41  1345.39 39298.96  726.759  813.298   13.026  786.493   7.2764 26.80524 14.92078 
1 1 1   -2    4   14 o  260.752   3.4967  4443.71   97.253  4087.18  199.010  4555.56  111.470  253.664   6.1779  267.840   3.2772 -14.17595 6.993311 
1 1 1   -2    4   15 o  454.440   4.6584 12837.16  225.887 13637.55  479.112 12608.40  256.142  463.308   8.1431  445.572   4.5267 17.73651 9.316729 
1 1 1   -2    4   16 f  333.718   4.2697  7036.34  164.993  7164.64  305.274  6983.40  196.103  335.834   7.1579  331.602   4.6568 4.231354 8.539447 
1 1 1   -2    4   17 o  756.908   7.0816 36364.86  587.834 36506.75  1181.59 36318.19  677.643  757.706   12.280  756.110   7.0573 1.595703 14.16323 
1 1 1   -2    4   18 o  551.621   5.4204 19440.12  329.797 19116.81  653.854 19550.44  381.941  548.442   9.3880  554.800   5.4210 -6.358093 10.84074 
1 1 1   -2    4   19 o  170.566   4.4906  1987.79   77.817  1617.64  164.592  2094.34   88.310  159.537   8.1240  181.595   3.8294 -22.05801 8.981276 
1 1 1   -2    4   20 o  217.279   3.7426  2998.76  103.269   0.0000   0.0000  2998.76  103.269  ?   ?   217.279   3.7426      ?      ? 
1 1 1   -2    4   21 o   64.921   9.5538  337.925   60.543  169.701  141.961  375.324   66.935   53.036   17.833   76.807   6.8624 -23.77112 19.10764 
1 1 1   -2    4   22 f   97.739   6.7322  607.464   64.079  612.224  151.535  606.428   70.712   97.830   12.197   97.648   5.7023 0.1819534 13.46443 
1 1 1   -2    4   23 o  186.399   4.6263  2225.92   92.754  2184.65  190.664  2238.71  106.163  185.136   8.1096  187.662   4.4547 -2.525726 9.252599 
1 1 1   -2    4   24 o  200.066   4.6864  2599.53  108.303  2425.99  196.648  2675.08  129.755  195.049   7.9390  205.083   4.9821 -10.03346 9.372818 
1 1 1   -2    4   25 o  149.700   5.8256  1479.41   89.328  1348.12  192.597  1515.40  100.829  145.078   10.454  154.323   5.1449 -9.244690 11.65118 
1 1 1   -2    4   26 o  103.237   7.5451  653.692   75.948  732.932  183.727  637.361   83.408  106.494   13.585   99.981   6.5692 6.513206 15.09028 
1 1 1   -2    4   27 o  204.760   4.9088  2638.73  103.979  2742.33  228.796  2611.77  116.730  206.942   8.7061  202.578   4.5375 4.363754 9.817559 
1 1 1   -2    4   28 o   35.739   16.935 -417.9337   91.047 -229.8855  205.443 -463.8938  101.566   35.739   16.935  ?   ?       ?      ? 
1 1 1   -2    4   29 o   59.370   12.117  250.068   86.000  160.708  201.364  270.004   95.110   55.255   20.915   63.486   12.241 -8.231003 24.23355 
1 1 1   -2    4   30 o   96.504   9.8858  656.278   90.112  565.998  201.307  678.901  100.772   90.193   18.203  102.814   7.7181 -12.62025 19.77161 
1 1 1   -2    4   31 f   92.443   10.057  591.125  109.459  528.983  178.075  628.862  138.771   86.948   16.735   97.939   11.158 -10.99026 20.11325 
1 1 1   -2    4   32 o   35.458   11.131 -115.5307  105.479   94.117  167.162 -254.2288  135.965   45.792   18.529   25.123   12.339 20.66917 22.26128 
1 1 1   -2    4   33 o   33.302   11.052 -123.0792  116.883 -96.4080  178.361 -143.1538  154.740   35.601   16.514   31.003   14.693 4.598513 22.10372 
1 1 1   -2    4   34 o   55.731   18.703  247.969  156.145  247.969  156.145   0.0000   0.0000   55.731   18.703  ?   ?       ?      ? 
1 1 1   -2    6    1 o  356.244   3.2485  8005.10  146.370  8681.57  219.401  7462.54  196.488  369.711   4.6730  342.777   4.5138 26.93454 6.497064 
1 1 1   -2    6    2 o  348.427   3.2031  7687.21  141.476  7328.49  193.144  8102.50  207.815  339.684   4.4774  357.170   4.5817 -17.48569 6.406179 
1 1 1   -2    6    3 f  331.314   3.0999  6943.95  130.135  7394.22  192.038  6561.60  176.962  341.205   4.4319  321.423   4.3354 19.78229 6.199804 
1 1 1   -2    6    4 o  1278.49   20.038 104343.50  3253.30 104343.50  3253.30   0.0000   0.0000  1278.49   20.038  ?   ?       ?      ? 
1 1 1   -2    6    5 o  583.783   4.8036 21647.28  356.054 21931.21  509.544 21376.36  497.735  587.521   6.8294  580.045   6.7571 7.475891 9.607204 
1 1 1   -2    6    6 o  542.310   4.5103 18668.21  310.439 18243.95  430.217 19129.09  448.401  535.889   6.3217  548.730   6.4347 -12.84088 9.020526 
1 1 1   -2    6    7 o  692.454   5.5946 30455.47  491.806 30972.13  706.598 29969.99  684.946  698.144   7.9698  686.764   7.8536 11.37982 11.18919 
1 1 1   -2    6    8 o  650.844   5.2951 26910.11  437.605 26641.54  613.420 27188.43  624.461  647.539   7.4596  654.148   7.5171 -6.609253 10.59020 
1 1 1   -2    6    9 o  882.706   7.0120 49524.92  785.980 49876.82  1119.14 49182.41  1104.09  885.797   9.9489  879.615   9.8841 6.181580 14.02409 
1 1 1   -2    6   10 o  398.966   5.0192 10109.75  254.303   0.0000   0.0000 10109.75  254.303  ?   ?   398.966   5.0192      ?      ? 
1 1 1   -2    6   11 o  225.776   3.7325  3237.19  107.019   0.0000   0.0000  3237.19  107.019  ?   ?   225.776   3.7325      ?      ? 
1 1 1   -2    6   12 o  306.102   4.2716  5950.60  166.048   0.0000   0.0000  5950.60  166.048  ?   ?   306.102   4.2716      ?      ? 
1 1 1   -2    6   13 o  673.220   5.5038 28780.88  470.319 29201.91  677.398 28389.02  653.510  677.968   7.8679  668.473   7.6982 9.494812 11.00754 
1 1 1   -2    6   14 o  483.806   3.8936 14882.45  232.449 14798.67  375.608 14934.45  295.924  482.685   6.1276  484.926   4.8054 -2.240814 7.787139 
1 1 1   -2    6   15 o  711.819   7.1335 32151.85  604.871 32349.00  1059.74 32056.59  736.654  713.321   11.699  710.317   8.1665 3.003601 14.26706 
1 1 1   -2    6   16 o  699.631   6.5937 31364.25  510.591 30579.73  1004.77 31637.37  592.844  693.539   11.408  705.724   6.6150 -12.18512 13.18732 
1 1 1   -2    6   17 o  259.690   3.8197  4272.92   99.970  4300.83  226.282  4266.15  111.435  260.190   6.8483  259.190   3.3855 1.001007 7.639401 
1 1 1   -2    6   18 o  185.301   4.3808  2119.39   84.356  2290.31  186.404  2075.37   94.597  189.836   7.7321  180.767   4.1208 9.069366 8.761662 
1 1 1   -2    6   19 o  565.859   5.5611 20210.43  339.604 20659.26  701.967 20073.28  388.037  569.683   9.7030  562.034   5.4367 7.649414 11.12229 
1 1 1   -2    6   20 f  348.795   4.1700  7707.69  152.708  7786.69  327.251  7685.70  172.659  349.791   7.3671  347.799   3.9092 1.991913 8.339975 
1 1 1   -2    6   21 o  632.749   6.1090 25435.93  420.562 25672.70  856.050 25360.60  482.850  634.082   10.631  631.415   6.0217 2.667236 12.21802 
1 1 1   -2    6   22 o  111.938   4.4593  796.518   63.390   0.0000   0.0000  796.518   63.390  ?   ?   111.938   4.4593      ?      ? 
1 1 1   -2    6   23 o  152.227   5.1604  1451.13   69.626  1512.53  186.525  1441.19   75.050  153.874   9.5454  150.579   3.9247 3.295166 10.32076 
1 1 1   -2    6   24 f  152.959   4.8171  1497.34   70.199  1481.23  169.921  1500.66   77.084  152.279   8.7868  153.640   3.9508 -1.361130 9.634131 
1 1 1   -2    6   25 o  180.809   4.7083  1918.27   79.841  2339.25  207.084  1844.77   86.532  191.294   8.5245  170.323   4.0006 20.97086 9.416526 
1 1 1   -2    6   26 o  346.703   4.4052  7670.33  160.258  7654.61  342.453  7674.74  181.340  346.063   7.7924  347.343   4.1111 -1.279968 8.810329 
1 1 1   -2    6   27 o  391.888   8.1089  9831.85  403.554  9831.85  403.554   0.0000   0.0000  391.888   8.1089  ?   ?       ?      ? 
1 1 1   -2    6   28 o  146.704   6.0106  1422.52   84.392  1316.58  199.269  1445.68   93.160  142.772   10.991  150.636   4.8699 -7.864349 12.02114 
1 1 1   -2    6   29 o   81.282   11.431  498.526   80.422  369.968  213.218  519.849   86.835   72.545   21.563   90.020   7.5959 -17.47559 22.86184 
1 1 1   -2    6   30 o  117.832   6.7443  852.064   81.772  985.885  185.286  819.695   91.127  122.579   11.903  113.085   6.3455 9.494408 13.48856 
1 1 1   -2    6   31 f  102.397   8.0154  632.854   84.979  804.943  194.294  592.147   94.497  109.160   14.016   95.633   7.7809 13.52708 16.03076 
1 1 1   -2    6   32 o  221.779   6.4688  3234.95  181.560  3283.56  268.888  3194.22  246.145  223.003   9.4948  220.555   8.7881 2.447845 12.93762 
1 1 1   -2    6   33 o   89.965   12.559  602.487  133.089  694.637  226.809  554.096  164.360   93.323   19.754   86.607   15.514 6.716255 25.11734 
1 1 1   -2    6   34 f   44.446   17.856  129.261  154.057  129.261  154.057   0.0000   0.0000   44.446   17.856  ?   ?       ?      ? 
1 1 1   -2    8    1 o  463.810   3.9757 13651.22  234.011 14007.22  338.620 13325.77  323.764  469.591   5.6783  458.030   5.5662 11.56183 7.951406 
1 1 1   -2    8    2 o  377.953   3.4129  9065.61  163.741  8828.23  227.519  9320.65  235.833  372.825   4.8055  383.080   4.8477 -10.25558 6.825895 
1 1 1   -2    8    3 o  327.881   3.1141  6827.40  129.660  6749.60  182.713  6906.32  184.028  325.999   4.4134  329.763   4.3944 -3.763397 6.228106 
1 1 1   -2    8    4 o  127.056   2.6158  1022.02   42.140  1091.05   61.627  961.392   57.753  131.074   3.7024  123.039   3.6962 8.034622 5.231541 
1 1 1   -2    8    5 o  467.926   4.9087 13779.91  272.278 14271.97  484.920 13553.35  329.044  473.925   8.0572  461.927   5.6092 11.99887 9.817396 
1 1 1   -2    8    6 o  289.363   3.5177  5347.02  123.253  5415.94  153.304  5221.03  207.264  292.026   4.1338  286.699   5.6927 5.327179 7.035330 
1 1 1   -2    8    7 o  795.896   7.8118 40117.34  740.407 39823.50  900.529 40730.39  1300.76  791.598   8.9581  800.195   12.800 -8.596313 15.62364 
1 1 1   -2    8    8 o  403.074   3.5964 10318.78  184.073 10335.98  262.170 10302.06  258.507  403.405   5.1176  402.743   5.0544 0.6612244 7.192785 
1 1 1   -2    8    9 o  229.037   2.7119  3326.01   78.788  3112.49  109.213  3557.75  113.774  221.384   3.8846  236.691   3.7852 -15.30702 5.423829 
1 1 1   -2    8   10 o  735.315   5.9297 34350.54  553.669 34052.80  776.832 34657.93  789.329  732.079   8.3559  738.551   8.4159 -6.472473 11.85950 
1 1 1   -2    8   11 o  268.246   2.9724  4568.11  101.197  4611.94  145.953  4527.53  140.434  269.484   4.2648  267.008   4.1416 2.476196 5.944889 
1 1 1   -2    8   12 o  1046.20   8.2686 69586.27  1098.56 69528.88  1553.12 69643.73  1554.09  1045.77   11.695  1046.63   11.692 -0.8637695 16.53727 
1 1 1   -2    8   13 o  990.637   7.8665 62381.73  989.595 62611.97  1406.30 62155.89  1392.80  992.445   11.158  988.830   11.091 3.614502 15.73294 
1 1 1   -2    8   14 o  1031.53   8.1738 67650.02  1070.73 67635.89  1515.69 67664.08  1512.81  1031.42   11.572  1031.64   11.547 -0.2177734 16.34753 
1 1 1   -2    8   15 o  458.569   4.1117 13333.77  238.848 13673.40  352.202 13044.58  325.000  463.962   5.9777  453.177   5.6473 10.78467 8.223391 
1 1 1   -2    8   16 o  242.962   3.1444  3806.11   86.472  3623.09  163.316  3877.41  101.933  238.827   5.3848  247.096   3.2484 -8.269913 6.288738 
1 1 1   -2    8   17 o  644.222   6.1966 26301.72  433.692 26577.82  885.273 26214.53  497.478  646.165   10.788  642.279   6.0992 3.886169 12.39311 
1 1 1   -2    8   18 o  494.170   5.0227 15523.52  268.378 15552.50  550.438 15514.49  307.391  494.243   8.7698  494.097   4.8989 0.1462708 10.04535 
1 1 1   -2    8   19 o  209.386   4.0083  2667.06   76.174  2963.87  201.512  2617.58   82.279  215.782   7.3537  202.990   3.1918 12.79263 8.016522 
1 1 1   -2    8   20 o   49.461   7.7614  248.094   40.704 -82.1019  132.122  282.720   42.785   32.239   14.678   66.683   5.0524 -34.44434 15.52283 
1 1 1   -2    8   21 o  239.395   3.9754  3643.20   92.850  3650.15  218.884  3641.67  102.532  239.389   7.2000  239.402   3.3725 -0.1330566E-01 7.950716 
1 1 1   -2    8   22 o  339.725   4.2359  7181.99  145.747  7621.38  331.843  7076.97  162.231  345.770   7.5573  333.680   3.8285 12.08972 8.471750 
1 1 1   -2    8   23 o  481.596   5.0441 14776.46  260.243 14807.49  540.693 14767.11  296.896  481.396   8.8444  481.795   4.8525 -0.3988037 10.08814 
1 1 1   -2    8   24 o  375.847   4.4710  9093.39  176.359  8844.43  374.343  9164.41  199.938  372.099   7.9220  379.595   4.1476 -7.495941 8.942044 
1 1 1   -2    8   25 o  250.473   4.3765  3951.78  102.418  4072.83  256.582  3928.84  111.703  252.371   8.0059  248.575   3.5386 3.796005 8.753032 
1 1 1   -2    8   26 o  222.908   8.4210  3183.49  238.379  3183.49  238.379   0.0000   0.0000  222.908   8.4210  ?   ?       ?      ? 
1 1 1   -2    8   27 o  116.135   6.6258  845.519   67.152  897.609  183.587  837.474   72.152  117.628   12.290  114.643   4.9559 2.984940 13.25170 
1 1 1   -2    8   28 f   50.029   10.840  174.282   60.715   68.230  183.787  187.274   64.326   47.033   19.278   53.025   9.9173 -5.992641 21.67928 
1 1 1   -2    8   29 o  105.122   8.1957  695.432   70.276  761.614  208.222  686.925   74.657  106.621   15.378  103.623   5.6733 2.997589 16.39134 
1 1 1   -2    8   30 o   87.364   9.6538  425.185   64.730  658.585  211.896  401.163   67.980   95.819   18.077   78.909   6.7839 16.91003 19.30761 
1 1 1   -2    8   31 o  171.808   8.3029  2001.04  177.428  1899.26  275.554  2073.14  231.898  166.959   12.996  176.657   10.337 -9.698196 16.60584 
1 1 1   -2    8   32 o   40.408   12.602   14.141  127.038 -58.2781  202.447   61.182  163.162   39.078   17.933   41.739   17.710 -2.660870 25.20436 
1 1 1   -2    8   33 f   62.220   13.531  347.372  132.988  142.452  220.022  465.333  166.933   48.333   20.540   76.107   17.620 -27.77383 27.06161 
1 1 1   -2   10    1 o  492.694   4.2006 15413.22  262.751 15661.07  377.025 15179.19  366.375  496.542   5.9791  488.846   5.9017 7.696472 8.401171 
1 1 1   -2   10    2 o  677.582   5.5013 29169.80  473.367 29041.74  667.385 29299.45  671.519  676.086   7.7731  679.078   7.7868 -2.992432 11.00257 
1 1 1   -2   10    3 o  260.037   2.8681  4295.00   94.686  4257.75  135.118  4330.95  132.727  258.928   4.1092  261.145   4.0022 -2.217346 5.736107 
1 1 1   -2   10    4 o  324.169   3.1635  6663.57  130.130  6382.64  179.947  6971.53  188.407  317.018   4.4698  331.320   4.4779 -14.30200 6.326936 
1 1 1   -2   10    5 o  765.486   7.5634 36998.71  686.182 37937.96  1219.53 36563.61  830.039  772.401   12.433  758.572   8.6164 13.82886 15.12671 
1 1 1   -2   10    6 o  633.937   5.1992 25497.31  418.156 26242.68  607.853 24827.67  576.145  642.717   7.4473  625.157   7.2571 17.55988 10.39849 
1 1 1   -2   10    7 o  103.696   3.5516  678.114   46.559  775.244   68.889  596.442   63.170  110.484   4.9099   96.908   5.1330 13.57593 7.103173 
1 1 1   -2   10    8 o  640.681   5.2692 26069.12  428.616 26404.85  614.117 25750.25  598.494  644.700   7.5009  636.663   7.4024 8.037231 10.53849 
1 1 1   -2   10    9 o   40.361   8.7291  103.606   48.934  107.209   68.737   99.903   69.678   40.891   12.263   39.831   12.426 1.060436 17.45819 
1 1 1   -2   10   10 o  1133.73   8.9265 81648.77  1284.11 83773.90  1862.55 79723.52  1772.79  1147.75   12.779  1119.70   12.467 28.04883 17.85296 
1 1 1   -2   10   11 o  495.983   6.0609 15625.53  381.754   0.0000   0.0000 15625.53  381.754  ?   ?   495.983   6.0609      ?      ? 
1 1 1   -2   10   12 o  735.321   8.4217 34357.43  786.422   0.0000   0.0000 34357.43  786.422  ?   ?   735.321   8.4217      ?      ? 
1 1 1   -2   10   13 o  781.462   6.3057 38765.38  625.170 39825.40  908.499 37811.94  861.611  791.587   9.0375  771.336   8.7961 20.25037 12.61141 
1 1 1   -2   10   14 o  503.756   4.3576 16117.80  278.684 16333.23  399.986 15914.56  388.501  507.024   6.2121  500.488   6.1125 6.535583 8.715111 
1 1 1   -2   10   15 o  253.485   3.0403  4070.29   97.436  4199.46  145.732  3965.87  131.029  257.107   4.4634  249.863   4.1294 7.244049 6.080601 
1 1 1   -2   10   16 o  120.466   3.7855  894.133   55.007  1011.68   96.385  837.354   66.987  126.141   6.0170  114.791   4.5952 11.34912 7.571003 
1 1 1   -2   10   17 o  118.257   4.4202  877.040   57.429  914.652  116.186  864.880   66.063  119.858   7.6332  116.655   4.4594 3.203255 8.840377 
1 1 1   -2   10   18 o   85.033   8.2341  562.394   41.882  371.551  147.743  579.070   43.673   74.601   16.069   95.465   3.6024 -20.86392 16.46825 
1 1 1   -2   10   19 o  198.090   4.1085  2597.91   74.569  2351.59  185.227  2645.55   81.462  192.120   7.5920  204.060   3.1435 -11.94064 8.217075 
1 1 1   -2   10   20 o  289.589   4.0426  5341.06  116.710  5329.25  267.265  5343.85  129.733  289.195   7.2774  289.983   3.5229 -0.7885437 8.085217 
1 1 1   -2   10   21 o  260.564   4.0531  4320.34  101.352  4324.08  243.883  4319.56  111.429  260.417   7.3745  260.710   3.3656 -0.2924500 8.106240 
1 1 1   -2   10   22 o   96.755   6.1302  470.630   42.742  771.980  160.531  447.637   44.342  109.612   11.532   83.898   4.1619 25.71409 12.26047 
1 1 1   -2   10   23 o  157.587   5.1065  1580.35   61.709  1591.83  193.717  1579.06   65.101  157.564   9.6813  157.611   3.2525 -0.4597473E-01 10.21301 
1 1 1   -2   10   24 o  119.148   6.6291  701.507   56.364  1196.96  215.508  665.128   58.397  136.069   12.472  102.227   4.4983 33.84187 13.25814 
1 1 1   -2   10   25 o  194.546   4.9159  2356.24   79.141  2502.18  230.695  2336.77   84.254  197.406   9.2024  191.686   3.4612 5.720337 9.831757 
1 1 1   -2   10   26 o  125.248   6.7736  1012.65   59.451  1006.87  204.938  1013.18   62.123  124.322   12.981  126.173   3.8771 -1.851028 13.54729 
1 1 1   -2   10   27 o  108.587   7.1980  670.468   53.754  883.201  201.970  654.250   55.765  115.849   13.728  101.324   4.3338 14.52523 14.39609 
1 1 1   -2   10   28 o   75.765   10.538  359.211   49.361  431.569  202.480  354.639   50.897   77.070   20.377   74.461   5.3825 2.608482 21.07623 
1 1 1   -2   10   29 o   99.591   11.401  718.768  128.690  619.550  221.667  769.210  158.054   91.567   19.651  107.615   11.565 -16.04795 22.80141 
1 1 1   -2   10   30 o  260.726   6.8262  4323.06  221.458  5509.46  358.676  3592.12  281.530  288.346   9.7951  233.107   9.5102 55.23882 13.65245 
1 1 1   -2   12    2 f  431.209   4.8105 11797.93  249.012 11769.76  305.619 11853.56  429.501  430.474   5.5906  431.944   7.8299 -1.469666 9.620943 
1 1 1   -2   12    3 o  572.308   6.8576 20806.54  498.404 20806.54  498.404   0.0000   0.0000  572.308   6.8576  ?   ?       ?      ? 
1 1 1   -2   12    4 o  561.012   5.8338 19996.69  390.739 19999.72  680.599 19995.19  477.221  560.982   9.5536  561.042   6.6980 -0.6097412E-01 11.66765 
1 1 1   -2   12    5 o  385.490   5.1195  9438.07  250.623   0.0000   0.0000  9438.07  250.623  ?   ?   385.490   5.1195      ?      ? 
1 1 1   -2   12    6 o  385.152   3.6397  9421.12  178.012  9289.09  250.855  9555.04  252.648  382.434   5.1652  387.871   5.1292 -5.436584 7.279319 
1 1 1   -2   12    7 o  472.180   4.1526 14123.29  248.494 14741.26  365.816 13593.82  338.608  481.742   5.9796  462.619   5.7636 19.12286 8.305101 
1 1 1   -2   12    8 o  463.310   4.0940 13634.94  240.876 13603.94  341.497 13665.64  339.810  462.785   5.8107  463.835   5.7689 -1.049438 8.188101 
1 1 1   -2   12    9 o  430.163   3.8984 11738.25  212.732 12069.92  309.586 11441.54  292.811  435.910   5.5925  424.416   5.4327 11.49429 7.796843 
1 1 1   -2   12   10 o  186.244   3.1484  2203.48   74.385  2195.18  107.602  2211.09  102.945  185.906   4.5577  186.582   4.3447 -0.6750641 6.296737 
1 1 1   -2   12   11 o  376.392   3.5779  9000.95  171.006  8901.45  242.395  9099.55  241.287  374.319   5.0992  378.465   5.0203 -4.145264 7.155818 
1 1 1   -2   12   12 o  359.805   3.4693  8184.95  158.026  8737.70  235.120  7729.54  213.417  370.825   4.9928  348.785   4.8183 22.03998 6.938578 
1 1 1   -2   12   13 o  292.779   3.2064  5448.64  119.175  5380.36  170.118  5514.44  167.005  290.974   4.6038  294.585   4.4642 -3.610382 6.412792 
1 1 1   -2   12   14 o  112.791   3.7285  824.422   52.380  690.779   77.628  936.134   70.973  104.220   5.8652  121.362   4.6050 -17.14182 7.457024 
1 1 1   -2   12   15 o  498.487   4.3420 15806.60  274.852 15573.74  386.654 16044.45  390.778  494.774   6.1537  502.200   6.1274 -7.425781 8.684077 
1 1 1   -2   12   16 o  372.836   3.6108  8841.66  170.915  8640.02  242.474  9040.79  240.953  368.602   5.1800  377.070   5.0319 -8.467834 7.221670 
1 1 1   -2   12   17 o  313.555   3.3245  6258.33  132.230  6023.86  189.001  6483.13  185.065  307.783   4.8355  319.326   4.5636 -11.54306 6.648975 
1 1 1   -2   12   18 o  239.812   3.2024  3670.87   96.229  3567.71  147.575  3747.18  126.925  236.840   4.9066  242.784   4.1167 -5.944290 6.404831 
1 1 1   -2   12   19 o  191.810   3.2992  2335.48   66.462  2348.39  142.191  2331.87   75.180  192.055   5.8300  191.564   3.0904 0.4910278 6.598443 
1 1 1   -2   12   20 o  205.339   4.3897  2642.47   75.704  2746.25  215.966  2627.93   80.833  207.330   8.2025  203.347   3.1302 3.982666 8.779474 
1 1 1   -2   12   21 o  288.618   5.1473  5298.75  187.450  5488.97  283.629  5151.24  249.775  293.124   7.6194  284.113   6.9228 9.010620 10.29468 
1 1 1   -2   12   22 o  108.254   9.3075  746.199  126.846  886.989  194.025  641.109  167.630  117.037   13.054   99.470   13.270 17.56765 18.61505 
1 1 1   -2   12   23 o   32.286   10.914 -223.5308  115.311 -131.1825  198.949 -270.2488  141.504   38.604   17.739   25.968   12.720 12.63580 21.82772 
1 1 1   -2   12   24 o   48.037   13.346  100.820  115.451   82.265  196.355  110.623  142.729   49.397   20.049   46.677   17.623 2.719818 26.69283 
1 1 1   -2   12   25 o   66.803   13.294  320.668  119.651  223.479  193.817  380.516  152.093   59.364   20.807   74.242   16.554 -14.87827 26.58885 
1 1 1   -2   12   26 o  244.459   5.7190  3883.79  175.012  3637.44  265.998  4071.83  232.399  237.217   8.8299  251.701   7.2706 -14.48358 11.43804 
1 1 1   -2   12   27 o   70.639   13.689  352.183  125.439  452.216  198.229  285.373  162.000   78.351   19.888   62.926   18.816 15.42509 27.37866 
1 1 1   -2   14    1 o  516.752   4.4430 16960.69  291.470 17198.02  418.653 16737.45  406.037  520.255   6.3366  513.248   6.2296 7.007690 8.886008 
1 1 1   -2   14    2 o  394.655   3.6988  9894.33  185.374  9804.75  261.625  9984.65  262.695  392.861   5.2440  396.449   5.2178 -3.588684 7.397624 
1 1 1   -2   14    3 o  485.155   4.2308 14953.80  260.617 15047.64  372.512 14863.83  364.748  486.643   6.0277  483.667   5.9384 2.976471 8.461545 
1 1 1   -2   14    4 o  763.475   6.1674 37070.42  597.936 37212.91  850.161 36930.94  841.130  764.922   8.7520  762.028   8.6919 2.895020 12.33476 
1 1 1   -2   14    5 o  211.620   3.1633  2831.86   84.678  2986.59  126.642  2706.75  113.878  216.821   4.5994  206.419   4.3442 10.40218 6.326644 
1 1 1   -2   14    6 o  275.721   3.1721  4830.59  111.047  4725.09  157.139  4935.83  156.949  272.711   4.5373  278.730   4.4340 -6.018921 6.344126 
1 1 1   -2   14    7 o  564.188   5.8634 20232.47  395.936 20181.06  484.509 20335.82  686.952  563.328   6.7727  565.047   9.5734 -1.718933 11.72684 
1 1 1   -2   14    8 f  145.268   5.2523  1395.35   80.754  1247.82  165.729  1441.28   92.476  139.944   9.3253  150.591   4.8356 -10.64700 10.50452 
1 1 1   -2   14    9 o  381.446   3.6336  9251.38  175.982  9115.68  250.040  9384.59  247.728  378.668   5.1996  384.224   5.0771 -5.555450 7.267244 
1 1 1   -2   14   10 o  237.209   3.1179  3572.42   93.754  3635.53  137.251  3517.20  128.371  239.166   4.5190  235.252   4.2969 3.913269 6.235738 
1 1 1   -2   14   11 o   48.819   7.7932  160.752   48.940   99.722   72.076  212.962   66.664   39.846   12.666   57.791   9.0835 -17.94531 15.58640 
1 1 1   -2   14   12 o   46.851   8.2066  141.974   48.597  181.858   74.502  112.435   64.115   52.318   11.525   41.384   11.686 10.93364 16.41311 
1 1 1   -2   14   13 o   80.123   4.8760  406.476   49.471  447.461   73.110  371.859   67.191   83.828   6.8677   76.417   6.9237 7.410904 9.752076 
1 1 1   -2   14   14 o   56.812   6.7756  209.126   47.733  229.445   68.629  190.086   66.435   59.953   9.0139   53.670   10.118 6.283180 13.55120 
1 1 1   -2   14   15 o  173.537   3.1496  1906.68   69.083  1996.11  103.743  1835.42   92.601  177.169   4.6110  169.905   4.2917 7.263672 6.299205 
1 1 1   -2   14   16 o  156.873   3.3600  1567.09   66.350  1552.40  100.473  1578.46   88.356  156.201   5.0651  157.545   4.4163 -1.343887 6.720005 
1 1 1   -2   14   17 o  157.078   3.4198  1598.92   66.747  1398.74  101.583  1751.01   88.544  148.227   5.3966  165.930   4.2020 -17.70340 6.839588 
1 1 1   -2   14   18 o  117.243   4.3285  904.309   59.440  800.510  103.732  955.052   72.529  111.979   7.2946  122.507   4.6620 -10.52774 8.657093 
1 1 1   -2   14   19 o  165.031   3.5741  1798.61   72.010  1431.21  110.938  2066.12   94.663  149.848   5.8298  180.214   4.1363 -30.36580 7.148112 
1 1 1   -2   14   20 o  517.714   5.7848 17267.98  364.864 17553.73  457.854 16770.76  603.968  524.247   6.8772  511.181   9.3038 13.06580 11.56967 
1 1 1   -2   14   21 o   40.767   12.329  -8.9887  111.903   61.884  178.700 -54.7094  143.529   46.477   19.025   35.056   15.687 11.42031 24.65850 
1 1 1   -2   14   22 o  352.029   5.4937  7940.34  244.888  7979.63  360.647  7906.72  333.582  352.715   8.0516  351.343   7.4764 1.371643 10.98749 
1 1 1   -2   14   23 o  129.950   8.1539  1043.71  130.888  1365.45  218.048  862.472  163.651  144.717   11.865  115.182   11.188 29.53548 16.30779 
1 1 1   -2   14   24 o  100.615   9.8910  648.120  123.933  813.483  200.424  545.748  157.696  110.529   14.279   90.701   13.691 19.82787 19.78198 
1 1 1   -2   16    1 o  506.740   4.3996 16332.84  283.082 15992.69  396.504 16686.47  404.284  501.359   6.2276  512.120   6.2164 -10.76126 8.799226 
1 1 1   -2   16    2 o  364.594   3.5691  8453.18  165.220  8358.84  235.109  8545.22  232.231  362.579   5.1061  366.610   4.9881 -4.031219 7.138186 
1 1 1   -2   16    3 o  258.689   3.2241  4256.35  105.742  4208.02  153.526  4299.98  145.853  257.282   4.6989  260.096   4.4157 -2.814087 6.448132 
1 1 1   -2   16    4 o  275.445   3.9365  4786.83  128.376  4932.42  228.861  4719.99  155.069  278.395   6.4734  272.496   4.4811 5.899170 7.873084 
1 1 1   -2   16    5 o  184.874   3.2862  2163.49   76.789  2264.86  115.314  2082.72  102.929  188.741   4.8110  181.008   4.4778 7.732727 6.572407 
1 1 1   -2   16    6 o  339.809   3.4618  7343.15  149.366  7205.50  211.520  7480.06  210.951  336.628   4.9479  342.991   4.8431 -6.363556 6.923689 
1 1 1   -2   16    7 o  203.920   3.2810  2646.31   84.664  2613.55  124.703  2674.33  115.314  202.736   4.8436  205.104   4.4272 -2.367981 6.562054 
1 1 1   -2   16    8 o  288.389   3.3296  5291.02  121.817  5224.16  175.661  5352.96  169.077  286.623   4.8260  290.156   4.5885 -3.532654 6.659211 
1 1 1   -2   16    9 o  261.789   3.2633  4363.16  108.303  4250.94  156.593  4466.07  149.949  258.545   4.7693  265.032   4.4552 -6.487091 6.526521 
1 1 1   -2   16   10 o  116.166   4.3014  854.457   63.183  907.667   94.794  811.919   84.756  119.394   6.2520  112.938   5.9095 6.456024 8.602887 
1 1 1   -2   16   11 o  164.989   3.4957  1728.19   72.748  1761.24  109.909  1702.42   97.050  166.374   5.2020  163.605   4.6711 2.768829 6.991451 
1 1 1   -2   16   12 o  269.719   3.3060  4630.50  113.110  4560.60  163.178  4695.15  156.929  267.745   4.7991  271.693   4.5483 -3.947601 6.612006 
1 1 1   -2   16   13 o  194.584   3.3297  2400.41   81.769  2483.57  123.563  2335.62  109.067  197.553   4.9252  191.615   4.4821 5.938553 6.659383 
1 1 1   -2   16   14 o  350.822   3.5691  7834.80  158.957  7835.23  227.715  7834.39  221.994  350.820   5.1113  350.824   4.9828 -0.3875732E-02 7.138175 
1 1 1   -2   16   15 o  127.666   5.9547  1038.90   96.541  1038.90   96.541   0.0000   0.0000  127.666   5.9547  ?   ?       ?      ? 
1 1 1   -2   16   16 o  282.645   3.5315  5084.53  126.623  4767.25  176.916  5417.78  181.310  273.593   5.0920  291.696   4.8946 -18.10373 7.062914 
1 1 1   -2   16   17 o  128.840   4.7097  1058.19   76.466  1074.80  115.938  1045.41  101.727  129.690   7.0395  127.990   6.2587 1.700317 9.419452 
1 1 1   -2   16   18 o  219.693   3.3773  3085.22   93.471  2981.47  140.042  3168.57  125.522  216.302   5.0982  223.084   4.4307 -6.781647 6.754505 
1 1 1   -2   16   19 o  149.552   3.9494  1456.10   72.075  1314.26  116.379  1544.35   91.799  143.411   6.3902  155.693   4.6430 -12.28159 7.898826 
1 1 1   -2   16   20 o  130.964   4.3025  1078.89   63.903  1136.04  123.266  1057.89   74.728  133.102   7.2926  128.827   4.5677 4.275558 8.604994 
1 1 1   -2   16   21 o  151.568   7.6984  1536.08  144.079  1250.81  216.177  1764.08  193.260  138.020   12.334  165.116   9.2167 -27.09618 15.39689 
1 1 1   -2   18    1 o  254.334   3.4517  4120.23  110.972  4063.22  164.416  4167.93  150.396  252.691   5.1236  255.977   4.6265 -3.286713 6.903368 
1 1 1   -2   18    2 o  155.687   4.1295  1533.09   81.055  1626.25  123.608  1462.81  107.361  159.789   6.0915  151.585   5.5772 8.204102 8.258959 
1 1 1   -2   18    3 o  128.607   4.5694  1056.53   73.702  1037.07  112.955  1070.95   97.258  127.536   6.9742  129.678   5.9058 -2.142281 9.138817 
1 1 1   -2   18    4 o  273.009   3.4202  4739.83  118.408  4786.40  172.504  4698.35  162.823  274.262   4.9528  271.755   4.7180 2.507477 6.840359 
1 1 1   -2   18    5 o  229.647   3.4651  3354.98  100.871  3370.91  147.316  3340.92  138.407  230.146   5.0405  229.148   4.7562 0.9972839 6.930240 
1 1 1   -2   18    6 o  314.326   3.4798  6275.84  138.656  6477.70  203.404  6100.60  189.512  319.024   5.0206  309.627   4.8197 9.396393 6.959606 
1 1 1   -2   18    7 o  318.155   4.2267  6462.15  161.332  6411.83  277.646  6487.80  198.232  317.034   6.8962  319.276   4.8891 -2.241943 8.453455 
1 1 1   -2   18    8 o   88.490   6.4502  517.318   70.084  418.137  106.892  592.099   92.818   80.699   10.430   96.281   7.5913 -15.58189 12.90044 
1 1 1   -2   18    9 o  316.545   3.5269  6365.86  141.412  6559.79  208.839  6201.65  192.172  320.965   5.1236  312.126   4.8482 8.838776 7.053844 
1 1 1   -2   18   10 o  283.656   3.5727  5111.72  128.297  5268.61  190.211  4980.76  173.780  287.615   5.2077  279.698   4.8925 7.917236 7.145422 
1 1 1   -2   18   11 o  167.775   4.3782  1807.36   92.649  1640.43  134.708  1957.22  127.629  160.321   6.6165  175.230   5.7354 -14.90901 8.756310 
1 1 1   -2   18   13 o  108.707   5.4014  751.872   73.995  789.974  112.916  723.195   97.960  111.066   8.0056  106.349   7.2533 4.717133 10.80283 
1 1 1   -2   18   14 o  191.596   3.6961  2323.18   88.962  2450.99  137.727  2231.68  116.533  196.041   5.5322  187.152   4.9032 8.888336 7.392296 
1 1 1   -2   18   15 o  196.711   3.6030  2471.76   89.515  2420.31  132.975  2514.39  121.049  194.790   5.3756  198.632   4.7988 -3.841827 7.205948 
1 1 1   -2   18   16 o  140.233   4.1547  1239.41   73.471  1416.29  112.132  1106.35   97.255  148.873   5.9311  131.594   5.8197 17.27856 8.309456 
1 1 1   -2   18   17 o  106.646   4.9165  734.372   64.867  706.997  103.120  752.297   83.444  104.862   7.7437  108.431   6.0599 -3.568970 9.832955 
1 1 1   -2   18   18 o  121.998   4.6017  952.581   69.071  965.362  112.906  944.936   87.317  122.494   7.2581  121.503   5.6589 0.9909515 9.203481 
1 1 1   -2   18   19 o   95.854   9.2362  598.638  112.429  598.638  112.429   0.0000   0.0000   95.854   9.2362  ?   ?       ?      ? 
1 1 1   -2   20    1 o  357.989   3.8921  8168.45  176.722  8196.73  256.587  8142.92  243.752  358.544   5.6353  357.434   5.3700 1.110474 7.784156 
1 1 1   -2   20    2 o   67.229   10.554  306.737   87.077  301.602  133.060  310.583  115.160   66.531   15.955   67.927   13.820 -1.396332 21.10821 
1 1 1   -2   20    3 o   35.589   10.569   3.5812   82.968 -49.5993  115.315   60.658  119.465   31.192   14.002   39.986   15.837 -8.794241 21.13900 
1 1 1   -2   20    4 o  183.241   4.4122  2147.41  102.399  1972.47  145.094  2321.01  144.536  175.750   6.5010  190.732   5.9673 -14.98151 8.824452 
1 1 1   -2   20    5 o  496.342   6.3867 15730.62  402.567 15730.62  402.567   0.0000   0.0000  496.342   6.3867  ?   ?       ?      ? 
1 1 1   -2   20    6 o  157.292   4.7174  1578.03   93.985  1618.99  138.712  1543.27  127.789  159.147   6.8633  155.438   6.4738 3.709335 9.434809 
1 1 1   -2   20    7 o  335.356   3.7485  7170.62  159.606  6968.13  224.863  7376.20  226.580  330.571   5.3564  340.142   5.2455 -9.571198 7.497086 
1 1 1   -2   20    8 o  229.376   3.8161  3367.55  110.671  3204.63  161.848  3510.64  151.672  224.089   5.6873  234.662   5.0896 -10.57262 7.632166 
1 1 1   -2   20    9 o  199.713   3.9707  2541.89  100.570  2620.29  146.864  2472.67  138.005  202.591   5.7084  196.836   5.5209 5.754745 7.941466 
1 1 1   -2   20   10 o   81.364   8.7973  408.945   85.486  614.754  141.481  290.599  107.285   97.237   11.457   65.490   13.353 31.74668 17.59451 
1 1 1   -2   20   11 o  127.441   6.8866  1040.95  111.453   0.0000   0.0000  1040.95  111.453  ?   ?   127.441   6.8866      ?      ? 
1 1 1   -2   20   12 o  126.545   5.0050  1035.80   79.811  921.982  115.484  1139.86  110.426  119.734   7.5949  133.355   6.5206 -13.62048 10.01003 
1 1 1   -2   20   13 o  186.456   3.8698  2225.21   91.242  2213.25  135.198  2235.22  123.647  185.929   5.7259  186.983   5.2072 -1.053818 7.739557 
1 1 1   -2   20   14 o  101.930   6.3017  653.221   80.017  791.912  129.510  567.592  101.763  110.310   9.2451   93.550   8.5659 16.75990 12.60342 
1 1 1   -2   20   15 o  110.150   6.3212  786.539   88.010  744.058  117.810  840.190  132.394  106.888   8.6790  113.411   9.1926 -6.522636 12.64235 
1 1 1   -2   20   16 o   79.927   10.374  423.089  105.302  423.089  105.302   0.0000   0.0000   79.927   10.374  ?   ?       ?      ? 
1 1 1   -2   22    1 o   48.889   11.469  157.218   87.603   71.684  138.024  214.918  113.364   42.210   16.922   55.568   15.486 -13.35882 22.93820 
1 1 1   -2   22    2 o  154.045   5.2121  1524.28  100.230  1551.94  157.447  1505.43  129.966  155.022   7.9977  153.068   6.6860 1.953979 10.42428 
1 1 1   -2   22    3 o  190.169   4.4507  2335.47  106.177  2219.51  160.941  2424.83  141.286  185.786   6.8214  194.553   5.7185 -8.766479 8.901303 
1 1 1   -2   22    4 o   71.264   10.196  350.224   87.734  359.938  138.218  343.668  113.540   71.639   15.632   70.889   13.094 0.7495499 20.39189 
1 1 1   -2   22    5 o  202.395   4.1177  2633.40  105.487  2535.16  153.770  2720.73  144.979  198.725   6.0932  206.064   5.5402 -7.339050 8.235311 
1 1 1   -2   22    6 o  217.590   4.1023  3044.03  112.726  2976.80  167.443  3099.77  152.447  215.258   6.1253  219.922   5.4585 -4.664673 8.204565 
1 1 1   -2   22    7 o  110.117   6.4134  778.878   88.400  863.198  139.725  722.603  114.149  114.837   9.5811  105.398   8.5283 9.439369 12.82690 
1 1 1   -2   22    8 o  181.854   4.4042  2145.84  100.756  1979.19  149.370  2284.97  136.480  175.120   6.7166  188.589   5.6987 -13.46892 8.808410 
1 1 1   -2   22    9 o  233.502   6.5228  3520.33  193.422  3520.33  193.422   0.0000   0.0000  233.502   6.5228  ?   ?       ?      ? 
1 1 1   -2   22   10 o  240.098   5.5646  3946.85  152.779  3288.42  271.578  4251.71  184.793  223.199   9.5813  256.997   5.6621 -33.79742 11.12927 
1 1 1   -2   22   11 o   67.664   13.844  369.818  127.501  269.364  220.203  420.481  156.382   59.946   22.032   75.382   16.769 -15.43599 27.68741 
1 1 1   -2   22   12 o   35.749   11.279 -50.1299  108.422   61.645  156.193 -154.0736  150.622   41.524   17.457   29.974   14.287 11.55055 22.55858 
1 1 1   -2   22   13 o   44.836   17.593  121.948  146.152  121.948  146.152   0.0000   0.0000   44.836   17.593  ?   ?       ?      ? 
1 1 1   -2   24    1 o   34.532   10.787   3.2383   91.189 -23.1653  149.525   18.874  115.064   35.156   15.849   33.908   14.638 1.248081 21.57464 
1 1 1   -2   24    2 o   58.837   12.047  258.082   91.144  319.671  158.047  227.394  111.563   62.937   18.529   54.738   15.401 8.199669 24.09354 
1 1 1   -2   24    3 o   88.621   8.1666  524.457   89.573  629.143  148.141  464.128  112.459   94.866   12.297   82.376   10.750 12.48986 16.33324 
1 1 1   -2   24    4 o  100.701   7.3881  673.980   92.586  785.020  150.083  605.761  117.637  106.792   11.067   94.610   9.7910 12.18176 14.77618 
1 1 1   -2   24    5 o  104.783   7.4212  780.338   93.493  629.686  148.195  879.942  120.499   94.597   12.336  114.969   8.2532 -20.37252 14.84237 
1 1 1   -2   24    6 o   42.036   11.603   97.679  101.980 -98.5969  179.456  191.296  123.937   34.392   16.152   49.680   16.663 -15.28781 23.20611 
1 1 1   -2   24    7 o  114.308   8.7930  928.864  127.566  955.596  184.326  904.291  176.724  115.785   12.536  112.831   12.334 2.953461 17.58602 
1 1 1   -2   24    8 o   66.070   20.777  396.014  194.371  396.014  194.371   0.0000   0.0000   66.070   20.777  ?   ?       ?      ? 
1 1 1   -1    1    2 o   35.679   3.9122   80.840   17.726   0.0000   0.0000   80.840   17.726  ?   ?    35.679   3.9122      ?      ? 
1 1 1   -1    1    3 o  430.534   5.2250 11772.12  285.674 11772.12  285.674   0.0000   0.0000  430.534   5.2250  ?   ?       ?      ? 
1 1 1   -1    1    4 o  1054.61   16.599 70776.80  2223.02 70776.80  2223.02   0.0000   0.0000  1054.61   16.599  ?   ?       ?      ? 
1 1 1   -1    1    5 o  762.386   8.6217 36929.47  834.731   0.0000   0.0000 36929.47  834.731  ?   ?   762.386   8.6217      ?      ? 
1 1 1   -1    1    6 o  810.770   7.4550 41705.24  663.544 41937.72  1332.27 41628.55  765.205  812.056   12.919  809.484   7.4438 2.572632 14.91005 
1 1 1   -1    1    7 o  710.655   6.5668 32449.85  521.932 31352.10  1008.37 32851.57  610.001  702.194   11.308  719.116   6.6797 -16.92151 13.13350 
1 1 1   -1    1    8 o  426.880   4.2779 11609.00  202.405 11508.26  399.175 11643.86  234.833  425.582   7.3859  428.178   4.3187 -2.596039 8.555876 
1 1 1   -1    1    9 o  806.188   7.4410 41299.27  761.808   0.0000   0.0000 41299.27  761.808  ?   ?   806.188   7.4410      ?      ? 
1 1 1   -1    1   10 o  464.126   3.9561 13678.33  233.116 13902.76  334.344 13466.02  325.198  467.829   5.6277  460.424   5.5618 7.404541 7.912265 
1 1 1   -1    1   11 o  689.801   5.5677 30226.54  487.616 30649.31  698.604 29824.91  680.921  694.500   7.9210  685.102   7.8264 9.397766 11.13533 
1 1 1   -1    1   12 o  475.560   4.0437 14365.14  244.201 14416.01  346.731 14315.07  343.991  476.395   5.7312  474.725   5.7059 1.669952 8.087321 
1 1 1   -1    1   13 o  569.506   4.7055 20599.24  340.259 20857.90  486.763 20352.08  475.821  573.000   6.6894  566.012   6.6197 6.987671 9.411091 
1 1 1   -1    1   14 f  152.832   2.6158  1479.60   50.703  1392.41   69.778  1577.14   73.800  148.074   3.7108  157.590   3.6877 -9.516464 5.231504 
1 1 1   -1    1   15 o  407.062   4.2734 10479.58  192.780 10618.07  382.356 10432.38  223.231  408.823   7.3647  405.302   4.3371 3.521240 8.546869 
1 1 1   -1    1   16 o  234.462   3.7511  3478.05  102.345  3524.64  187.526  3458.28  122.139  235.564   6.2687  233.359   4.1215 2.205566 7.502166 
1 1 1   -1    1   17 o  209.439   4.2135  2862.03   97.988  2628.97  188.899  2947.83  114.615  203.430   7.3120  215.448   4.1891 -12.01814 8.426989 
1 1 1   -1    1   18 o  1023.86   9.3933 66065.63  1046.64 67861.13  2139.69 65500.89  1200.00  1032.48   16.319  1015.24   9.3076 17.23932 18.78663 
1 1 1   -1    1   19 o  492.009   4.9866 15380.15  274.786 15377.10  534.404 15381.25  320.384  491.913   8.5547  492.106   5.1267 -0.1936951 9.973222 
1 1 1   -1    1   20 o  262.481   3.8364  4388.18  114.054  4351.61  217.464  4402.05  133.956  261.695   6.5436  263.266   4.0067 -1.571136 7.672807 
1 1 1   -1    1   21 o  205.617   3.9517  2696.61   91.402  2666.68  176.042  2707.66  106.947  204.786   6.7692  206.448   4.0792 -1.661636 7.903312 
1 1 1   -1    1   22 o  134.129   4.8821  1145.11   73.427  1144.17  142.474  1145.45   85.683  134.023   8.3710  134.235   5.0264 -0.2122192 9.764137 
1 1 1   -1    1   23 o  281.957   3.9746  5005.30  126.108  5166.72  245.314  4947.32  147.023  284.908   6.7801  279.006   4.1495 5.902618 7.949120 
1 1 1   -1    1   24 o   93.724   7.4023  575.163   73.448  536.783  152.258  586.803   83.849   91.456   13.110   95.991   6.8784 -4.535606 14.80459 
1 1 1   -1    1   25 o  208.798   4.1973  2703.09   98.373  2930.21  194.315  2624.83  114.072  214.423   7.1360  203.174   4.4211 11.24924 8.394592 
1 1 1   -1    1   26 o  411.080   4.4557 10756.37  232.396 11009.73  337.326 10527.47  320.624  415.663   6.3904  406.498   6.2110 9.165466 8.911459 
1 1 1   -1    1   27 o  195.314   5.0944  2434.04  126.246  2466.83  182.928  2404.22  174.451  196.551   7.3287  194.077   7.0782 2.473770 10.18872 
1 1 1   -1    1   28 o  240.249   5.2893  3716.91  160.124  3279.74  230.755  4122.91  222.377  226.402   8.0259  254.096   6.8915 -27.69473 10.57865 
1 1 1   -1    1   29 o   99.393   9.7681  690.831  112.140  459.477  168.114  876.291  150.519   82.141   16.686  116.645   10.161 -34.50417 19.53614 
1 1 1   -1    1   30 o   89.120   10.490  526.433  115.912  588.479  171.953  474.758  156.925   94.618   14.311   83.622   15.343 10.99660 20.98076 
1 1 1   -1    1   31 o  111.203   8.6995  806.203  120.780  1026.53  179.041  622.201  163.616  125.350   11.247   97.055   13.275 28.29477 17.39898 
1 1 1   -1    1   32 o   49.690   13.464  135.092  121.518   71.249  178.151  190.641  166.178   45.526   18.853   53.853   19.228 -8.327354 26.92859 
1 1 1   -1    1   33 o  256.466   5.0454  4289.92  163.469  3994.22  237.933  4554.27  224.972  247.709   7.5637  265.224   6.6794 -17.51518 10.09081 
1 1 1   -1    1   34 o   39.155   11.697   38.035  102.300 -28.3872  140.678  112.578  149.030   34.128   15.380   44.182   17.628 -10.05416 23.39416 
1 1 1   -1    1   35 o   47.205   12.725  163.089  107.143  209.921  153.310  118.380  149.796   51.055   18.441   43.354   17.541 7.701607 25.45074 
1 1 1   -1    3    1 o  124.919   2.0450  988.307   32.373  902.610   44.645  1083.33   47.012  119.223   2.9487  130.615   2.8343 -11.39186 4.089995 
1 1 1   -1    3    2 f  634.317   6.3272 25293.67  474.034 24840.37  570.848 26300.57  850.796  625.334   7.1884  643.300   10.414 -17.96600 12.65434 
1 1 1   -1    3    3 o  430.453   3.7027 11765.96  202.383 11639.67  283.628 11896.96  288.869  428.100   5.2171  432.805   5.2557 -4.704926 7.405398 
1 1 1   -1    3    4 o  533.473   4.4260 18062.71  299.684 17666.22  415.503 18492.61  432.652  527.377   6.2041  539.568   6.3141 -12.19043 8.852045 
1 1 1   -1    3    5 o  707.026   5.6907 31761.04  510.943 31672.78  721.081 31850.05  724.094  706.040   8.0422  708.012   8.0534 -1.972412 11.38130 
1 1 1   -1    3    6 o  810.330   7.9212 41610.00  765.478 41339.63  932.468 42168.74  1340.48  806.503   9.1044  814.158   12.965 -7.655334 15.84240 
1 1 1   -1    3    7 o  360.939   3.2739  8229.76  149.608  7712.06  202.173  8856.41  222.431  348.461   4.5687  373.418   4.6905 -24.95673 6.547827 
1 1 1   -1    3    9 o  711.720   6.6448 31953.03  514.809 32684.04  1051.05 31722.30  590.492  716.823   11.546  706.617   6.5804 10.20575 13.28954 
1 1 1   -1    3   10 o  538.839   5.2253 18085.90  301.798 19126.39  635.279 17782.64  342.971  548.558   9.1194  529.121   5.1042 19.43646 10.45061 
1 1 1   -1    3   11 o  363.141   3.8597  8201.14  150.514  8705.24  316.289  8053.56  171.133  370.172   6.7283  356.110   3.7842 14.06165 7.719429 
1 1 1   -1    3   12 o  267.150   3.2622  4607.85   96.528  4378.85  188.505  4689.25  112.380  262.560   5.6535  271.739   3.2566 -9.178741 6.524350 
1 1 1   -1    3   13 o  320.343   3.6550  6390.82  125.327  6754.72  264.325  6285.29  142.345  326.087   6.3830  314.600   3.5629 11.48706 7.310086 
1 1 1   -1    3   14 o  685.206   6.4298 29889.76  485.590 29730.95  966.579 29943.37  561.604  683.843   11.130  686.570   6.4412 -2.727051 12.85966 
1 1 1   -1    3   15 f  466.549   4.7077 13763.81  240.435 13950.56  485.799 13703.23  276.701  468.588   8.1637  464.509   4.6907 4.078796 9.415359 
1 1 1   -1    3   16 o  728.177   6.8269 33752.66  548.233 33585.77  1090.39 33809.12  634.227  726.815   11.814  729.540   6.8457 -2.725220 13.65374 
1 1 1   -1    3   17 o  312.377   4.0246  6113.20  137.702  6365.29  279.832  6032.65  158.180  316.545   6.9612  308.210   4.0413 8.334839 8.049274 
1 1 1   -1    3   18 o  380.341   4.2359  9223.41  178.606  9117.35  351.870  9260.22  207.296  378.828   7.3141  381.853   4.2748 -3.024780 8.471744 
1 1 1   -1    3   19 o  768.089   7.1805 37473.08  606.830 37579.18  1213.42 37437.70  700.752  768.568   12.432  767.611   7.1886 0.9571533 14.36103 
1 1 1   -1    3   20 o  129.101   4.9737  1009.01   69.141  1155.54  147.232  967.548   78.313  134.793   8.6012  123.408   4.9970 11.38515 9.947376 
1 1 1   -1    3   21 o  146.914   4.7710  1382.44   73.057  1356.03  156.968  1389.75   82.543  145.939   8.4696  147.889   4.3951 -1.949768 9.542055 
1 1 1   -1    3   22 o  256.567   3.9100  4249.19  109.814  4060.74  218.550  4312.83  127.012  252.606   6.8129  260.527   3.8390 -7.921494 7.820013 
1 1 1   -1    3   23 o  251.317   4.1220  4121.62  111.590  3822.09  225.557  4218.69  128.405  244.986   7.2500  257.649   3.9244 -12.66335 8.243997 
1 1 1   -1    3   24 o   45.695   11.106  109.688   64.718  150.628  149.757  100.287   71.765   51.527   18.269   39.864   12.635 11.66288 22.21235 
1 1 1   -1    3   25 o  216.344   4.2617  2926.28   99.684  3083.57  206.974  2878.77  113.746  219.906   7.4114  212.781   4.2094 7.124191 8.523426 
1 1 1   -1    3   26 o  170.784   4.7298  1764.66   87.250  2042.98  185.303  1685.37   98.899  178.821   8.1599  162.747   4.7852 16.07436 9.459510 
1 1 1   -1    3   27 o  105.655   8.0624  747.296   81.707  675.155  190.935  763.468   90.402  101.909   14.753  109.400   6.5070 -7.490814 16.12473 
1 1 1   -1    3   28 o  258.862   5.5481  4338.58  164.131  4170.96  305.591  4406.53  194.577  254.856   9.4421  262.868   5.8288 -8.012177 11.09629 
1 1 1   -1    3   29 o  214.814   5.2216  2983.36  117.558  2899.51  249.722  3007.23  133.245  212.372   9.2594  217.257   4.8295 -4.884857 10.44317 
1 1 1   -1    3   30 o  170.253   5.8685  1913.94  104.631  1774.55  219.509  1954.92  119.022  165.506   10.444  174.999   5.3557 -9.493073 11.73697 
1 1 1   -1    3   31 o   49.738   13.369  135.524  117.299   76.686  189.413  172.125  149.393   47.469   19.527   52.007   18.265 -4.537750 26.73819 
1 1 1   -1    3   32 o   35.867   11.643 -100.2497  120.929 -28.3418  179.856 -159.5793  163.370   39.726   17.684   32.009   15.148 7.717106 23.28524 
1 1 1   -1    3   33 o  ?   ?  -839.1582  124.984 -842.0681  192.898 -837.0527  164.085  ?   ?   ?   ?       ?      ? 
1 1 1   -1    3   34 o  125.492   12.565  1101.13  200.240   0.0000   0.0000  1101.13  200.240  ?   ?   125.492   12.565      ?      ? 
1 1 1   -1    5    1 o  595.198   4.8747 22496.32  368.340 22880.53  529.018 22134.79  513.167  600.126   6.9414  590.270   6.8459 9.856567 9.749358 
1 1 1   -1    5    2 o  978.717   9.4432 61094.64  1110.71 61408.93  1367.49 60485.33  1904.04  982.751   10.957  974.683   15.383 8.067810 18.88630 
1 1 1   -1    5    3 f  662.045   5.3621 27787.72  450.083 28898.85  659.711 26820.20  615.604  674.391   7.7031  649.698   7.4613 24.69238 10.72417 
1 1 1   -1    5    4 o  875.679   6.9438 48666.03  771.194 50318.93  1125.70 47204.16  1058.65  889.651   9.9638  861.707   9.6742 27.94373 13.88768 
1 1 1   -1    5    5 o  456.533   3.9037 13226.83  226.184 13588.30  326.928 12894.97  313.254  462.509   5.5661  450.558   5.4748 11.95090 7.807388 
1 1 1   -1    5    6 o  295.587   2.8872  5495.49  107.811  5028.17  143.790  6095.52  162.933  281.374   4.0241  309.800   4.1414 -28.42599 5.774473 
1 1 1   -1    5    7 o  244.176   2.6176  3786.40   81.168  3798.21  115.025  3774.68  114.556  244.555   3.7037  243.796   3.7001 0.7585602 5.235280 
1 1 1   -1    5    8 o  561.106   4.6501 19999.64  331.318 20164.51  472.281 19839.88  464.914  563.382   6.6012  558.831   6.5511 4.551025 9.300115 
1 1 1   -1    5    9 o  642.400   5.2407 26220.03  427.529 26120.53  603.217 26320.45  606.028  641.176   7.4083  643.624   7.4145 -2.448730 10.48131 
1 1 1   -1    5   10 o  590.372   5.9667 22255.66  423.667 21813.01  723.336 22486.81  522.710  585.804   9.7232  594.939   6.9185 -9.135498 11.93342 
1 1 1   -1    5   11 o  480.247   5.0448 14420.57  286.837 14029.14  345.415 15290.13  514.834  469.961   5.7876  490.533   8.2646 -20.57236 10.08961 
1 1 1   -1    5   12 o  255.308   3.2713  4084.95   87.928  4238.04  188.995  4042.66   99.333  258.304   5.7616  252.312   3.1001 5.992111 6.542675 
1 1 1   -1    5   13 o  589.191   5.6657 21880.30  361.783 22394.91  743.603 21720.72  414.098  593.596   9.8644  584.785   5.5761 8.811340 11.33137 
1 1 1   -1    5   14 o  782.605   7.2918 38611.02  619.870 39536.28  1269.93 38321.62  710.224  788.520   12.682  776.690   7.2006 11.82990 14.58368 
1 1 1   -1    5   15 o  211.708   3.7493  2810.59   79.408  2905.41  182.696  2788.51   88.172  213.865   6.7269  209.551   3.3133 4.313293 7.498576 
1 1 1   -1    5   16 o  696.665   6.6291 30690.29  501.934 31139.13  1025.16 30548.77  575.653  699.850   11.535  693.481   6.5365 6.368347 13.25811 
1 1 1   -1    5   17 o  403.378   4.4171 10215.51  189.579 10556.46  401.063 10117.41  215.130  407.619   7.7478  399.136   4.2443 8.482117 8.834188 
1 1 1   -1    5   18 o  681.305   6.4918 29157.80  477.007 30159.19  989.869 28854.93  544.385  688.655   11.319  673.954   6.3606 14.70038 12.98350 
1 1 1   -1    5   19 o  457.655   4.7555 13315.94  235.718 13301.10  482.015 13320.60  270.236  457.382   8.2986  457.928   4.6470 -0.5453491 9.511070 
1 1 1   -1    5   20 o  326.635   4.0362  6787.60  139.582  6772.15  294.743  6792.06  158.480  326.294   7.1131  326.977   3.8166 -0.6834412 8.072316 
1 1 1   -1    5   21 o  367.778   4.2660  8474.82  165.116  8833.21  355.377  8376.15  186.465  372.491   7.5127  363.064   4.0442 9.427338 8.532077 
1 1 1   -1    5   22 o  187.876   4.4198  2248.70   79.720  2241.76  191.572  2250.15   87.672  187.572   8.0424  188.181   3.6687 -0.6085815 8.839642 
1 1 1   -1    5   23 o  120.192   5.2656  856.693   63.447  1027.06  150.551  819.900   69.964  126.835   9.3469  113.550   4.8519 13.28474 10.53115 
1 1 1   -1    5   24 o  246.582   4.1775  3936.75  105.717  3758.16  230.320  3984.42  118.992  242.791   7.4700  250.373   3.7424 -7.581528 8.355049 
1 1 1   -1    5   25 o  337.247   4.2841  7218.36  152.877  7292.63  323.961  7197.08  173.398  338.065   7.5460  336.430   4.0586 1.634705 8.568164 
1 1 1   -1    5   26 o  161.794   4.7175  1592.54   79.988  1808.82  176.576  1536.70   89.722  168.186   8.2673  155.402   4.5464 12.78441 9.434905 
1 1 1   -1    5   27 o   24.679   12.491 -611.9377   85.224 -663.6313  193.823 -599.5480   94.890   24.679   12.491  ?   ?       ?      ? 
1 1 1   -1    5   28 o  107.032   8.2142  785.460   86.230  669.385  192.524  814.589   96.445  101.145   14.989  112.919   6.7256 -11.77390 16.42846 
1 1 1   -1    5   29 o   47.912   12.073   48.585   77.107  300.765  191.371  -0.2892   84.248   66.298   20.578   29.526   12.632 36.77117 24.14599 
1 1 1   -1    5   30 f  177.813   5.3592  2086.87  101.290  1931.02  208.049  2135.28  115.961  172.732   9.4845  182.893   4.9927 -10.16086 10.71835 
1 1 1   -1    5   31 f   56.887   12.660  223.903   89.990  191.067  207.163  231.540   99.909   56.077   21.217   57.697   13.818 -1.620262 25.31971 
1 1 1   -1    5   32 o   78.431   12.470  464.017  102.544  412.473  229.318  476.899  114.644   72.160   22.547   84.702   10.658 -12.54169 24.93917 
1 1 1   -1    5   33 o  156.355   6.7663  1640.21  130.506  1585.41  208.584  1675.46  167.298  153.240   10.718  159.470   8.2610 -6.230316 13.53256 
1 1 1   -1    5   34 o   45.239   17.418  141.581  141.186  141.581  141.186   0.0000   0.0000   45.239   17.418  ?   ?       ?      ? 
1 1 1   -1    7    1 o  200.645   2.4724  2549.47   62.904  2739.41   91.637  2380.21   86.504  207.692   3.4743  193.597   3.5185 14.09526 4.944795 
1 1 1   -1    7    2 o  359.027   3.2800  8173.54  149.403  7888.89  205.826  8490.56  217.208  352.431   4.5988  365.622   4.6781 -13.19092 6.560002 
1 1 1   -1    7    3 o  892.473   7.0721 50528.48  800.196 52483.51  1173.38 48828.81  1094.07  908.556   10.170  876.390   9.8304 32.16669 14.14428 
1 1 1   -1    7    4 o  164.434   2.4344  1716.97   50.825  1723.24   72.613  1710.95   71.164  164.728   3.4711  164.140   3.4140 0.5880432 4.868715 
1 1 1   -1    7    5 o  156.492   2.4427  1552.16   48.378  1380.30   66.894  1740.61   70.048  147.428   3.5730  165.557   3.3317 -18.12952 4.885346 
1 1 1   -1    7    6 f  183.456   2.4788  2132.03   57.586  1916.61   79.480  2370.09   83.551  173.724   3.6026  193.188   3.4056 -19.46352 4.957539 
1 1 1   -1    7    7 o  594.666   4.8903 22465.39  369.295 22559.90  524.768 22372.67  519.792  595.904   6.9345  593.428   6.8974 2.476318 9.780623 
1 1 1   -1    7    8 o  360.022   4.0758  8264.49  175.794  8328.62  215.859  8138.20  302.926  362.126   4.6939  357.918   6.6646 4.208282 8.151682 
1 1 1   -1    7    9 o   74.814   3.2610  359.690   30.508  327.108   46.121  385.037   40.680   71.765   5.0607   77.864   4.1140 -6.099403 6.521945 
1 1 1   -1    7   10 o  804.195   6.4437 41095.96  658.016 40728.18  923.301 41475.57  938.024  800.541   9.0820  807.848   9.1434 -7.307129 12.88736 
1 1 1   -1    7   11 o  677.766   5.5216 29185.70  475.250 29174.37  672.842 29196.99  671.370  677.635   7.8188  677.898   7.7987 -0.2637329 11.04322 
1 1 1   -1    7   12 f  799.410   6.4227 40574.06  651.647 39663.23  903.123 41563.29  941.190  790.064   9.0013  808.756   9.1639 -18.69189 12.84531 
1 1 1   -1    7   14 o  663.446   5.4949 27962.07  462.846 28045.13  662.267 27882.77  647.123  664.405   7.8491  662.486   7.6919 1.918762 10.98973 
1 1 1   -1    7   15 o  483.629   4.9798 14718.10  256.586 15117.41  541.005 14602.21  291.451  487.760   8.7341  479.499   4.7863 8.260742 9.959567 
1 1 1   -1    7   16 o  284.303   3.7921  4920.22  107.053  5481.06  253.173  4798.11  118.133  293.732   6.7872  274.875   3.3842 18.85770 7.584104 
1 1 1   -1    7   17 f  260.146   3.8564  4276.18   98.524  4334.93  231.073  4263.12  108.921  261.198   6.9663  259.094   3.3104 2.104614 7.712812 
1 1 1   -1    7   18 o  344.216   4.0700  7492.15  146.331  7594.75  316.154  7464.17  165.077  345.632   7.2029  342.801   3.7920 2.830475 8.140093 
1 1 1   -1    7   19 o   59.183   9.0662  268.723   43.013  163.415  133.837  280.853   45.423   51.896   17.316   66.470   5.3811 -14.57359 18.13240 
1 1 1   -1    7   20 f  173.787   4.4734  1904.56   66.661  1944.30  184.882  1898.62   71.468  174.698   8.3335  172.876   3.2554 1.821716 8.946784 
1 1 1   -1    7   21 o  444.362   4.7160 12012.97  215.686 13529.75  487.346 11643.52  240.524  460.733   8.3293  427.992   4.4253 32.74026 9.431938 
1 1 1   -1    7   22 o  281.513   4.0541  5128.16  115.002  4901.98  256.861  5184.87  128.613  277.383   7.2919  285.642   3.5456 -8.258514 8.108184 
1 1 1   -1    7   23 o  133.823   5.0940  1121.54   67.046  1173.18  158.027  1110.21   74.040  135.510   9.1830  132.135   4.4123 3.374496 10.18800 
1 1 1   -1    7   24 o  107.698   6.9493  775.903   59.049  700.515  174.340  785.672   62.758  104.255   13.168  111.141   4.4465 -6.885864 13.89853 
1 1 1   -1    7   25 o  257.799   3.9692  4362.83  106.464  4008.35  225.332  4464.70  120.797  250.605   7.0804  264.993   3.5896 -14.38759 7.938301 
1 1 1   -1    7   26 o  186.656   5.0995  2117.93  101.302  2426.31  219.205  2034.19  114.232  194.588   8.8707  178.723   5.0330 15.86432 10.19904 
1 1 1   -1    7   27 o   45.642   11.541  101.413   65.506  157.902  169.189   91.452   71.048   52.968   19.335   38.317   12.608 14.65113 23.08277 
1 1 1   -1    7   28 o   36.719   11.202   24.098   66.678 -17.9793  194.437   29.706   70.983   43.188   18.834   30.250   12.132 12.93829 22.40338 
1 1 1   -1    7   29 o   39.384   11.948   28.272   81.631   5.4913  210.047   32.324   88.595   45.675   19.748   33.093   13.454 12.58228 23.89537 
1 1 1   -1    7   30 o   37.200   11.299   27.008   72.994   8.6318  188.720   30.241   79.155   43.106   18.678   31.294   12.719 11.81119 22.59720 
1 1 1   -1    7   31 o  129.038   8.9032  1089.22  143.154  1294.49  231.371  961.906  182.220  138.249   13.179  119.828   11.975 18.42094 17.80642 
1 1 1   -1    7   32 o   31.798   10.893 -294.9227  129.701 -73.9523  205.276 -441.7553  167.334   39.115   17.990   24.481   12.289 14.63347 21.78688 
1 1 1   -1    7   33 o  127.018   9.3603  1202.83  139.794  922.113  225.082  1379.11  178.366  111.287   15.926  142.749   9.8392 -31.46168 18.72055 
1 1 1   -1    9    1 o  1122.45   8.8054 80135.26  1255.13 79880.22  1769.49 80393.51  1780.59  1120.66   12.434  1124.25   12.472 -3.588867 17.61071 
1 1 1   -1    9    2 o  409.743   3.6291 10660.28  188.806 10479.30  264.182 10849.22  269.935  406.190   5.1215  413.297   5.1430 -7.106598 7.258134 
1 1 1   -1    9    3 o  543.913   5.6198 17976.23  348.264 20661.34  680.379 17022.94  405.399  570.157   9.3968  517.669   6.1667 52.48755 11.23955 
1 1 1   -1    9    4 o  551.891   5.6041 19473.18  374.041 19754.55  464.779 18955.97  630.142  557.644   6.5631  546.138   9.0857 11.50610 11.20824 
1 1 1   -1    9    5 o  228.003   2.6884  3300.14   77.825  3218.24  108.903  3385.62  111.258  225.113   3.8094  230.893   3.7944 -5.779892 5.376730 
1 1 1   -1    9    6 o  650.704   6.5318 26766.35  504.566 27311.27  892.897 26510.71  611.574  655.441   10.727  645.966   7.4552 9.475464 13.06351 
1 1 1   -1    9    7 o   78.511   3.8072  391.270   37.743  393.665   56.551  389.347   50.682   78.726   5.6565   78.296   5.0973 0.4305038 7.614330 
1 1 1   -1    9    8 o  724.377   5.8486 33304.06  537.601 32483.00  742.768 34207.40  779.096  715.015   8.1801  733.738   8.3613 -18.72284 11.69724 
1 1 1   -1    9    9 o  554.275   4.6383 19468.29  325.959 18733.19  445.828 20312.52  477.779  543.064   6.4646  565.487   6.6532 -22.42242 9.276576 
1 1 1   -1    9   10 o  304.772   3.1746  5899.48  122.847  5868.11  175.131  5929.87  172.366  303.973   4.5368  305.570   4.4419 -1.596466 6.349221 
1 1 1   -1    9   11 o  964.283   7.6527 59097.36  937.056 59542.35  1335.08 58665.32  1315.53  967.856   10.862  960.709   10.783 7.147034 15.30545 
1 1 1   -1    9   12 o  604.617   5.0552 23222.28  388.134 23315.68  551.795 23130.82  546.057  605.819   7.1723  603.415   7.1260 2.404602 10.11045 
1 1 1   -1    9   13 o  808.814   6.5198 41566.25  669.570 41931.11  956.739 41216.00  937.388  812.289   9.2748  805.340   9.1656 6.948364 13.03960 
1 1 1   -1    9   14 o  552.530   4.6971 19394.62  329.569 19253.97  466.538 19534.72  465.625  550.529   6.6731  554.531   6.6120 -4.001709 9.394099 
1 1 1   -1    9   15 o  271.268   3.2670  4708.79  111.670  4290.06  163.598  5074.10  152.806  259.886   4.9570  282.651   4.2571 -22.76498 6.534091 
1 1 1   -1    9   16 o  298.181   3.0698  5667.07  109.230  5592.16  189.798  5704.17  133.566  296.681   5.0376  299.682   3.5096 -3.001465 6.139613 
1 1 1   -1    9   17 o  299.092   3.9624  5783.13  121.590  5522.83  265.124  5852.46  136.828  294.657   7.0852  303.527   3.5498 -8.870056 7.924729 
1 1 1   -1    9   18 o  267.583   3.8433  4571.52  102.861  4521.74  234.073  4583.43  114.509  266.564   6.9147  268.602   3.3570 -2.037964 7.686518 
1 1 1   -1    9   19 o  267.720   3.8892  4506.73  102.763  4640.38  240.324  4476.82  113.680  269.990   7.0093  265.450   3.3723 4.540009 7.778317 
1 1 1   -1    9   20 o  210.886   3.9753  2718.97   76.364  2989.96  200.607  2673.04   82.581  216.657   7.2912  205.116   3.1703 11.54112 7.950598 
1 1 1   -1    9   21 o  355.921   4.2056  7796.42  152.888  8516.68  346.588  7622.40  170.359  365.544   7.4661  346.298   3.8738 19.24530 8.411277 
1 1 1   -1    9   22 o  161.461   4.7950  1599.84   61.604  1741.71  189.157  1583.01   65.156  165.093   9.0222  157.829   3.2508 7.264038 9.590014 
1 1 1   -1    9   23 o  160.370   4.6876  1460.12   60.441  1884.22  190.743  1412.79   63.725  171.654   8.7502  149.086   3.3659 22.56836 9.375200 
1 1 1   -1    9   24 o   80.493   8.3723  416.807   47.546  433.907  157.546  415.093   49.871   80.235   16.023   80.751   4.8632 -0.5156555 16.74468 
1 1 1   -1    9   25 o  282.980   4.4627  5442.45  126.981  4565.50  274.330  5681.57  143.251  267.087   8.0880  298.872   3.7743 -31.78497 8.925323 
1 1 1   -1    9   26 o  185.106   4.3948  2002.02   71.265  2453.43  201.017  1937.13   76.215  195.688   8.0889  174.523   3.4388 21.16530 8.789541 
1 1 1   -1    9   27 o  139.339   6.3790  1227.91   72.069  1277.79  213.506  1221.50   76.562  140.196   11.992  138.481   4.3536 1.715240 12.75794 
1 1 1   -1    9   28 o   32.491   10.714 -30.3801   51.395   2.5559  201.400 -32.6744   53.155   44.580   19.306   20.402   9.2968 24.17840 21.42778 
1 1 1   -1    9   29 o  170.527   6.9373  1940.67  143.409  1735.42  233.670  2064.69  181.642  162.362   11.333  178.692   8.0045 -16.32999 13.87465 
1 1 1   -1    9   30 o  146.777   9.3752  1582.21  156.717  1103.02  260.254  1854.82  196.297  125.402   16.342  168.153   9.1925 -42.75069 18.75037 
1 1 1   -1    9   31 o   40.396   12.467 -62.7527  128.078  160.837  198.342 -222.6692  167.739   51.004   20.341   29.788   14.422 21.21596 24.93438 
1 1 1   -1    9   32 o   27.723   13.488 -210.0779  151.528   0.0000   0.0000 -210.0779  151.528  ?   ?    27.723   13.488      ?      ? 
1 1 1   -1   11    1 f  284.343   3.0557  5114.15  110.100  5456.42  162.322  4822.51  149.837  293.119   4.3607  275.567   4.2817 17.55170 6.111333 
1 1 1   -1   11    2 f  101.744   4.0626  667.025   51.458  601.907   78.757  715.531   67.974   97.345   6.3709  106.143   5.0428 -8.798126 8.125154 
1 1 1   -1   11    3 o  534.734   5.5567 18024.78  352.940 17773.31  427.553 18562.67  625.315  528.974   6.3647  540.494   9.1103 -11.51971 11.11334 
1 1 1   -1   11    4 o  304.031   3.2196  5842.05  124.007  5384.71  168.894  6376.97  182.659  291.184   4.5674  316.879   4.5391 -25.69553 6.439293 
1 1 1   -1   11    5 f  514.144   4.4107 16773.81  287.754 17197.90  417.112 16388.70  397.488  520.336   6.3123  507.952   6.1620 12.38458 8.821348 
1 1 1   -1   11    6 o  323.138   3.3285  6632.47  136.519  6597.98  195.901  6665.04  190.353  322.320   4.7860  323.956   4.6270 -1.635956 6.656925 
1 1 1   -1   11    7 o  565.257   4.7683 20233.30  341.592 19347.68  465.367 21267.92  502.991  551.891   6.6399  578.623   6.8452 -26.73230 9.536551 
1 1 1   -1   11    8 o  646.310   5.3301 26525.94  437.358 26037.02  609.896 27043.52  627.517  640.184   7.5019  652.437   7.5737 -12.25293 10.66021 
1 1 1   -1   11    9 o  183.406   3.1315  2134.88   72.852  1994.55  101.688  2282.87  104.425  177.217   4.5184  189.595   4.3371 -12.37822 6.263081 
1 1 1   -1   11   10 o  368.993   3.5523  8645.05  166.393  8736.23  239.174  8559.52  231.636  370.877   5.0782  367.109   4.9686 3.767822 7.104553 
1 1 1   -1   11   11 o  387.393   3.6366  9523.15  178.764  9743.10  259.047  9323.17  247.003  391.659   5.2083  383.128   5.0767 8.530212 7.273149 
1 1 1   -1   11   12 o  404.362   3.7163 10355.11  190.437 10852.55  280.589  9930.28  259.305  413.336   5.3455  395.389   5.1643 17.94748 7.432643 
1 1 1   -1   11   13 o  376.220   3.5596  8992.44  170.058  8954.45  241.356  9029.90  239.649  375.430   5.0623  377.011   5.0055 -1.580627 7.119130 
1 1 1   -1   11   14 o  341.178   3.3886  7387.74  146.674  7583.71  213.149  7211.48  202.146  345.468   4.8584  336.889   4.7250 8.578369 6.777172 
1 1 1   -1   11   15 f   94.318   3.9457  546.101   46.071  653.028   76.191  484.469   57.845  101.337   5.9204   87.299   5.2177 14.03846 7.891499 
1 1 1   -1   11   16 o  198.652   3.0803  2495.70   76.759  2584.94  119.081  2432.26  100.402  201.663   4.6499  195.641   4.0412 6.021515 6.160525 
1 1 1   -1   11   17 o  228.590   3.1755  3313.23   90.154  3360.83  143.808  3282.41  115.716  229.915   4.9254  227.266   4.0094 2.648331 6.350948 
1 1 1   -1   11   18 o  209.900   4.0412  2750.10   74.718  2877.26  201.939  2729.94   80.425  212.509   7.4828  207.290   3.0552 5.218948 8.082468 
1 1 1   -1   11   19 f  198.678   5.2942  2514.08  131.292  2526.25  205.763  2505.72  170.515  199.014   8.1415  198.341   6.7698 0.6724396 10.58839 
1 1 1   -1   11   20 o  283.673   5.0914  5098.76  182.121  5384.67  277.325  4881.96  241.493  290.571   7.5155  276.775   6.8707 13.79654 10.18280 
1 1 1   -1   11   21 o   65.635   12.557  290.268  105.936  288.453  166.838  291.494  137.126   65.577   18.960   65.693   16.468 -0.1154327 25.11390 
1 1 1   -1   11   22 o  132.993   7.6199  1199.67  121.096  899.570  191.331  1400.22  156.410  118.023   12.766  147.963   8.3240 -29.94023 15.23974 
1 1 1   -1   11   23 o   44.336   13.259  -9.7238  127.546  108.009  207.714 -80.9835  161.599   52.439   20.846   36.233   16.392 16.20609 26.51891 
1 1 1   -1   11   24 o   42.324   12.541   27.809  113.989 -69.1954  192.188   80.452  141.579   40.550   18.149   44.099   17.312 -3.548981 25.08115 
1 1 1   -1   11   25 o  110.901   9.3851  811.862  125.610  767.360  210.194  836.582  156.661  108.027   15.322  113.774   10.843 -5.747314 18.77022 
1 1 1   -1   11   26 o  119.895   8.6951  853.597  126.036  1342.86  217.529  606.350  154.636  143.510   11.936   96.279   12.647 47.23098 17.39030 
1 1 1   -1   11   27 o  130.846   8.2604  1132.52  130.028  1092.17  220.092  1154.15  161.160  128.333   13.505  133.359   9.5160 -5.026337 16.52077 
1 1 1   -1   11   28 o  107.844   9.7126  783.772  128.294  784.090  210.448  783.585  161.847  107.012   15.486  108.675   11.727 -1.662041 19.42519 
1 1 1   -1   11   29 f  181.534   11.416  2210.80  263.182   0.0000   0.0000  2210.80  263.182  ?   ?   181.534   11.416      ?      ? 
1 1 1   -1   13    1 o  548.517   5.6978 18992.94  370.558 19462.16  658.018 18775.04  448.422  553.381   9.3634  543.653   6.4951 9.728577 11.39565 
1 1 1   -1   13    2 o  234.161   3.1959  3474.40   94.771  3583.83  140.188  3382.29  128.612  237.548   4.6471  230.775   4.3885 6.773102 6.391757 
1 1 1   -1   13    3 o  240.133   3.1186  3663.67   95.012  3466.61  133.954  3863.18  134.785  233.632   4.5149  246.636   4.3034 -13.00410 6.237216 
1 1 1   -1   13    4 o  472.932   4.1575 14201.55  249.615 14420.02  358.551 13996.09  347.716  476.459   5.9258  469.406   5.8331 7.053070 8.315056 
1 1 1   -1   13    5 o  301.965   3.2619  5789.15  125.031  5857.16  179.900  5725.59  173.893  303.679   4.6649  300.251   4.5606 3.428467 6.523792 
1 1 1   -1   13    6 o  269.211   3.1923  4590.20  108.762  4750.43  161.750  4457.98  146.939  273.484   4.6573  264.937   4.3673 8.547668 6.384689 
1 1 1   -1   13    7 o  546.342   4.6409 18958.98  321.890 19200.08  462.074 18731.66  448.664  549.713   6.6191  542.972   6.5068 6.741150 9.281730 
1 1 1   -1   13    8 o  262.483   3.1402  4377.02  104.626  4211.85  147.572  4543.96  148.359  257.502   4.5128  267.465   4.3679 -9.962585 6.280414 
1 1 1   -1   13    9 o  184.325   3.0860  2157.08   72.082  2176.86  105.679  2139.88   98.570  185.112   4.4955  183.538   4.2291 1.574051 6.172069 
1 1 1   -1   13   10 o  383.575   3.6272  9331.40  176.399  9664.54  258.451  9040.86  241.358  389.966   5.2188  377.185   5.0388 12.78134 7.254381 
1 1 1   -1   13   11 o  310.096   3.2654  6106.65  128.493  6216.84  186.033  6006.12  177.689  312.765   4.6837  307.427   4.5513 5.338562 6.530864 
1 1 1   -1   13   12 o  174.762   3.1042  1930.44   68.670  2072.40  102.277  1813.92   92.662  180.578   4.4600  168.946   4.3189 11.63115 6.208427 
1 1 1   -1   13   13 o  177.714   3.0285  2012.88   68.008  1943.99  100.341  2071.42   92.494  174.885   4.5180  180.544   4.0341 -5.659592 6.056968 
1 1 1   -1   13   14 o  544.740   4.6360 18885.37  320.702 18682.47  451.986 19091.09  455.112  541.791   6.5692  547.689   6.5435 -5.897949 9.272097 
1 1 1   -1   13   15 o  324.859   3.3707  6707.68  138.910  6762.58  201.524  6657.98  191.737  326.115   4.8661  323.602   4.6657 2.513092 6.741477 
1 1 1   -1   13   16 o  482.305   4.2507 14806.19  260.342 14634.78  367.776 14978.36  368.585  479.502   6.0397  485.109   5.9830 -5.607056 8.501442 
1 1 1   -1   13   17 o  374.250   3.6363  8915.27  172.689  8787.29  248.125  9035.50  240.493  371.627   5.2576  376.873   5.0249 -5.245483 7.272691 
1 1 1   -1   13   18 o   57.538   7.8162  230.305   42.874  194.228  100.363  238.358   47.418   53.903   14.392   61.173   6.1039 -7.270313 15.63248 
1 1 1   -1   13   19 f  301.263   5.1304  5794.70  195.361  5766.11  290.261  5818.37  264.147  300.508   7.6060  302.018   6.8871 -1.510010 10.26073 
1 1 1   -1   13   20 o  134.408   7.0293  1151.38  119.535  1257.32  178.640  1065.50  160.853  139.951   10.051  128.864   9.8292 11.08662 14.05855 
1 1 1   -1   13   21 o   52.300   11.722  102.517  125.567 -371.8102  213.480  353.428  155.266   32.638   15.908   71.963   17.220 -39.32473 23.44342 
1 1 1   -1   13   22 o   28.258   9.7413 -281.4564  113.163 -492.5607  196.312 -176.4000  138.487   27.843   13.875   28.673   13.676 -0.8294716 19.48262 
1 1 1   -1   13   23 o  114.335   8.6759  839.705  122.569  889.666  200.025  809.666  155.100  116.760   13.490  111.910   10.914 4.849770 17.35184 
1 1 1   -1   13   24 o  128.154   8.4209  1104.95  132.208  825.406  194.540  1344.87  180.221  112.073   13.669  144.235   9.8392 -32.16134 16.84172 
1 1 1   -1   13   25 o   61.647   13.758  249.616  118.571  340.129  192.680  194.448  150.427   68.980   20.497   54.315   18.356 14.66470 27.51524 
1 1 1   -1   13   26 o   53.800   18.002  197.634  144.652   0.0000   0.0000  197.634  144.652  ?   ?    53.800   18.002      ?      ? 
1 1 1   -1   15    1 o  260.566   3.2059  4314.48  105.898  4314.25  154.385  4314.69  145.531  260.553   4.6659  260.579   4.3978 -0.2563477E-01 6.411789 
1 1 1   -1   15    2 o  137.919   3.8639  1194.35   67.162  1421.52  100.976  1014.12   89.941  149.540   5.3172  126.299   5.6077 23.24169 7.727776 
1 1 1   -1   15    3 o  328.013   4.1090  6850.80  163.483  6873.68  203.263  6808.89  275.117  328.858   4.8671  327.168   6.6217 1.689880 8.218027 
1 1 1   -1   15    4 o  373.356   3.6190  8861.34  171.558  8634.25  241.953  9090.96  243.292  368.541   5.1697  378.172   5.0660 -9.630219 7.238095 
1 1 1   -1   15    5 o  621.410   5.1805 24579.13  408.810 24495.95  578.931 24661.85  577.362  620.357   7.3487  622.463   7.3039 -2.106445 10.36099 
1 1 1   -1   15    6 o  306.306   3.2894  5965.89  127.900  5828.38  181.968  6100.17  179.808  302.811   4.7320  309.801   4.5703 -6.990784 6.578752 
1 1 1   -1   15    7 o  101.787   4.5234  653.364   58.208  727.922   87.365  593.849   78.055  106.961   6.4318   96.612   6.3620 10.34921 9.046722 
1 1 1   -1   15    8 o  301.068   3.2886  5763.38  125.697  5632.90  178.313  5892.26  177.218  297.675   4.7170  304.461   4.5835 -6.785736 6.577104 
1 1 1   -1   15    9 o  177.962   3.2975  2002.46   74.026  2103.67  112.417  1924.98   98.361  181.901   4.8665  174.022   4.4508 7.878311 6.594927 
1 1 1   -1   15   10 o  131.362   3.7545  1098.50   62.518  1079.11   90.753  1116.02   86.246  130.251   5.4866  132.474   5.1267 -2.223068 7.509024 
1 1 1   -1   15   11 o  183.051   3.2110  2131.91   74.461  2107.07  108.833  2153.77  102.097  182.039   4.7078  184.063   4.3679 -2.023880 6.421963 
1 1 1   -1   15   12 o  166.377   3.3508  1763.68   70.350  1729.05  105.027  1791.86   94.746  164.878   5.0160  167.876   4.4442 -2.998367 6.701598 
1 1 1   -1   15   13 o  226.929   3.1263  3269.06   89.989  3382.88  131.190  3167.92  123.670  230.649   4.4789  223.209   4.3629 7.440079 6.252632 
1 1 1   -1   15   14 o   84.033   4.8359  448.672   51.208  460.990   77.854  439.280   67.982   85.029   7.2100   83.038   6.4468 1.991753 9.671890 
1 1 1   -1   15   15 o  333.393   3.4248  7073.48  144.978  6941.75  205.386  7204.29  204.676  330.291   4.8966  336.495   4.7897 -6.203308 6.849695 
1 1 1   -1   15   16 o  179.225   3.2819  2037.65   74.497  2126.74  110.278  1962.86  101.037  182.808   4.7502  175.641   4.5298 7.166504 6.563818 
1 1 1   -1   15   17 o  157.238   3.4389  1559.24   68.007  1676.00  105.083  1475.10   89.207  162.235   5.1005  152.241   4.6141 9.994568 6.877859 
1 1 1   -1   15   18 o   73.580   10.693  348.407   99.913  348.407   99.913   0.0000   0.0000   73.580   10.693  ?   ?       ?      ? 
1 1 1   -1   15   19 o  320.854   4.8944  6557.35  199.426   0.0000   0.0000  6557.35  199.426  ?   ?   320.854   4.8944      ?      ? 
1 1 1   -1   15   20 o  153.791   7.1490  1501.52  137.921  1665.72  216.213  1388.86  179.088  160.665   10.597  146.918   9.5988 13.74686 14.29802 
1 1 1   -1   15   21 o  108.669   9.4577  757.048  127.610  845.834  207.396  702.955  161.882  113.438   14.397  103.899   12.269 9.539398 18.91547 
1 1 1   -1   15   22 o   68.043   13.614  341.551  124.467  220.259  216.460  401.465  152.133   59.891   21.869   76.196   16.220 -16.30473 27.22757 
1 1 1   -1   15   23 o   40.041   17.022   22.034  151.223   0.0000   0.0000   22.034  151.223  ?   ?    40.041   17.022      ?      ? 
1 1 1   -1   17    1 o  143.844   4.0241  1316.91   72.839  1313.99  110.667  1319.15   96.751  143.682   6.0651  144.005   5.2905 -0.3230591 8.048294 
1 1 1   -1   17    2 o  192.316   3.4215  2365.84   82.969  2209.84  122.355  2498.65  112.888  186.391   5.1692  198.240   4.4841 -11.84892 6.843078 
1 1 1   -1   17    3 o  150.111   3.8491  1440.13   72.734  1379.63  109.050  1488.61   97.620  147.236   5.8322  152.986   5.0247 -5.749329 7.698202 
1 1 1   -1   17    4 o  262.754   3.3330  4395.24  110.993  4305.00  161.186  4476.61  153.065  260.172   4.8785  265.336   4.5426 -5.163574 6.665949 
1 1 1   -1   17    5 o  168.084   3.6658  1814.40   76.931  1694.39  117.984  1903.16  101.468  163.170   5.6939  172.997   4.6186 -9.827606 7.331548 
1 1 1   -1   17    6 o  186.326   3.5501  2211.59   83.773  2161.67  122.296  2255.72  114.987  184.328   5.2245  188.324   4.8080 -3.995895 7.100146 
1 1 1   -1   17    7 o  144.599   3.9738  1331.33   72.269  1326.98  110.007  1334.63   95.855  144.367   6.0003  144.830   5.2117 -0.4636383 7.947679 
1 1 1   -1   17    8 o  326.876   3.5127  6799.31  145.725  6752.80  209.444  6842.97  202.885  325.780   5.0625  327.972   4.8712 -2.192688 7.025501 
1 1 1   -1   17    9 o  128.627   4.1565  1052.11   67.437  1066.52  101.752  1040.81   90.057  129.391   6.1924  127.863   5.5462 1.527718 8.313022 
1 1 1   -1   17   10 o  363.948   3.6308  8428.77  167.705  8486.56  241.819  8375.22  232.779  365.136   5.2151  362.760   5.0530 2.375854 7.261503 
1 1 1   -1   17   11 o  200.126   3.3429  2547.32   84.714  2565.66  124.818  2531.66  115.348  200.777   4.8954  199.474   4.5535 1.302948 6.685733 
1 1 1   -1   17   12 o   34.500   9.3768   52.222   57.538   49.489   86.790   54.365   76.855   34.895   13.595   34.104   12.918 0.7908134 18.75355 
1 1 1   -1   17   13 o  145.306   4.1724  1345.32   76.828  1354.39  112.564  1337.41  105.119  145.747   6.0817  144.865   5.7140 0.8816071 8.344884 
1 1 1   -1   17   14 o  166.409   6.4775  1767.13  136.887  1767.13  136.887   0.0000   0.0000  166.409   6.4775  ?   ?       ?      ? 
1 1 1   -1   17   15 o   27.180   8.5516 -61.0956   65.514 -187.6154  104.228   21.539   84.234   22.762   11.099   31.599   13.013 -8.836706 17.10326 
1 1 1   -1   17   16 o  251.566   3.3997  4036.60  108.326  3951.10  158.073  4112.31  148.744  249.018   4.9986  254.114   4.6093 -5.095566 6.799388 
1 1 1   -1   17   17 o  187.980   3.5770  2264.59   84.547  2159.08  127.173  2348.15  113.182  183.977   5.4432  191.984   4.6423 -8.006134 7.153981 
1 1 1   -1   17   18 o  297.816   3.4734  5654.64  131.121  5683.62  191.602  5629.11  179.823  298.495   5.0546  297.136   4.7655 1.359039 6.946877 
1 1 1   -1   17   19 o   88.425   5.4216  528.303   55.102  438.652   97.292  570.639   66.859   82.361   9.3020   94.488   5.5719 -12.12681 10.84312 
1 1 1   -1   17   20 f   88.417   9.9901  509.310  112.172  509.310  112.172   0.0000   0.0000   88.417   9.9901  ?   ?       ?      ? 
1 1 1   -1   19    1 f  234.748   3.6376  3509.08  107.786  3508.14  161.540  3509.83  144.709  234.683   5.4203  234.813   4.8528 -0.1296844 7.275260 
1 1 1   -1   19    2 o  104.434   5.8925  701.162   77.103  675.121  117.905  720.619  101.914  102.662   9.0437  106.205   7.5563 -3.543221 11.78497 
1 1 1   -1   19    3 f  381.848   3.8161  9269.17  184.722  9584.32  271.036  8995.81  252.427  387.873   5.5025  375.823   5.2890 12.04999 7.632238 
1 1 1   -1   19    4 o  241.654   5.0852  3718.60  156.056  3718.60  156.056   0.0000   0.0000  241.654   5.0852  ?   ?       ?      ? 
1 1 1   -1   19    5 o  146.365   4.5844  1371.65   84.626  1320.47  125.961  1413.75  114.251  143.822   6.8966  148.908   6.0418 -5.085541 9.168749 
1 1 1   -1   19    6 o  293.115   5.2898  5473.03  196.903  5473.03  196.903   0.0000   0.0000  293.115   5.2898  ?   ?       ?      ? 
1 1 1   -1   19    7 o  150.842   6.9630  1545.96   99.886  420.290  130.893  3115.49  154.559   80.575   12.792  221.109   5.5044 -140.5334 13.92595 
1 1 1   -1   19    8 o  343.508   7.6834  7548.27  335.171  7548.27  335.171   0.0000   0.0000  343.508   7.6834  ?   ?       ?      ? 
1 1 1   -1   19    9 o   68.066   9.9660  311.001   83.125  331.765  122.798  293.439  112.934   70.161   14.268   65.971   13.918 4.189621 19.93205 
1 1 1   -1   19   10 o  233.735   3.6887  3487.81  109.237  3224.34  154.821  3749.01  154.150  224.895   5.4209  242.575   5.0040 -17.67979 7.377421 
1 1 1   -1   19   11 o  170.999   4.1111  1864.65   89.213  1893.22  128.988  1838.44  123.522  172.242   5.8970  169.756   5.7299 2.486633 8.222270 
1 1 1   -1   19   12 o  121.270   5.1967  955.359   78.788  836.266  117.329  1053.16  106.327  114.179   8.0918  128.361   6.5228 -14.18232 10.39344 
1 1 1   -1   19   13 o  161.088   4.1197  1665.96   83.837  1525.44  121.223  1794.79  116.071  154.485   6.1790  167.692   5.4504 -13.20761 8.239411 
1 1 1   -1   19   14 o   80.633   6.9870  427.428   70.267  372.444  105.226  471.678   94.399   75.706   10.945   85.560   8.6880 -9.853416 13.97396 
1 1 1   -1   19   15 o  134.122   4.4572  1145.50   75.072  1197.78  116.171  1108.01   98.371  136.657   6.6940  131.586   5.8868 5.071609 8.914311 
1 1 1   -1   19   16 o  151.162   4.2453  1492.41   79.284  1327.31  123.373  1608.56  103.480  143.714   6.7599  158.610   5.1374 -14.89655 8.490590 
1 1 1   -1   19   17 f  177.094   4.2388  2008.28   95.181  2120.92  139.393  1909.88  130.281  181.718   6.0404  172.470   5.9482 9.247894 8.477504 
1 1 1   -1   21    1 o  205.822   4.1972  2708.36  108.799  2688.21  164.435  2724.05  145.103  205.059   6.3145  206.585   5.5310 -1.525787 8.394311 
1 1 1   -1   21    2 o  110.714   6.3184  787.817   87.583  796.755  136.023  781.486  114.470  111.126   9.6388  110.302   8.1720 0.8235245 12.63678 
1 1 1   -1   21    3 o  177.303   4.4406  2012.95   98.698  1991.69  151.816  2028.52  129.893  176.389   6.7775  178.217   5.7393 -1.827652 8.881109 
1 1 1   -1   21    4 o  230.187   3.9424  3391.11  114.746  3295.05  168.973  3473.31  156.315  227.087   5.8593  233.287   5.2763 -6.199936 7.884888 
1 1 1   -1   21    5 o  244.045   3.8428  3802.17  118.942  3818.19  172.802  3787.73  163.964  244.500   5.5653  243.589   5.3005 0.9109497 7.685569 
1 1 1   -1   21    6 o  197.850   4.0668  2503.96  102.014  2460.67  147.817  2543.33  140.966  196.174   5.9334  199.526   5.5634 -3.351288 8.133660 
1 1 1   -1   21    7 o  123.265   5.7576  994.519   87.497  903.101  137.844  1056.21  113.234  118.211   9.1823  128.320   6.9487 -10.10951 11.51520 
1 1 1   -1   21    8 o  185.870   4.2503  2195.40   99.617  2344.71  151.924  2082.78  131.941  191.310   6.2533  180.430   5.7583 10.88071 8.500692 
1 1 1   -1   21    9 o   58.305   9.8682  241.650   77.690  119.368  116.946  338.243  103.939   44.778   16.115   71.832   11.394 -27.05412 19.73637 
1 1 1   -1   21   10 o  136.340   4.9638  1193.49   85.664  1230.38  127.127  1162.81  115.940  138.206   7.2432  134.474   6.7892 3.731949 9.927590 
1 1 1   -1   21   11 o   97.244   9.1815  616.060  113.384   0.0000   0.0000  616.060  113.384  ?   ?    97.244   9.1815      ?      ? 
1 1 1   -1   21   12 o  238.931   4.2841  3697.68  125.525  3566.02  204.146  3777.71  159.170  235.073   6.8385  242.790   5.1624 -7.716599 8.568291 
1 1 1   -1   21   13 o  130.900   8.1235  1140.55  134.165  1327.81  195.842  974.938  184.171  141.305   10.914  120.495   12.036 20.81006 16.24708 
1 1 1   -1   21   14 o  226.582   5.2870  3210.34  147.502  4584.71  232.935  2290.33  190.581  265.903   6.8982  187.260   8.0141 78.64314 10.57405 
1 1 1   -1   23    1 o   62.362   9.3905  286.306  113.728 -353.8778  198.181  600.643  138.870   30.097   14.805   94.627   11.556 -64.52992 18.78095 
1 1 1   -1   23    5 o   95.841   9.6343  603.084  114.385  799.840  187.733  486.911  144.254  107.611   13.737   84.072   13.511 23.53867 19.26851 
1 1 1   -1   23    6 o   20.956   10.630 -557.7866  104.862 -623.8184  151.196 -496.5880  145.558  ?   ?    20.956   10.630      ?      ? 
1 1 1   -1   23    7 o  178.606   4.6877  2071.97  106.188  1938.05  149.058  2209.98  151.312  172.642   6.7988  184.570   6.4556 -11.92783 9.375415 
1 1 1   -1   23    8 o   94.504   8.9289  588.560  100.071  702.073  182.245  539.560  119.737   99.550   14.416   89.457   10.540 10.09334 17.85785 
1 1 1   -1   23    9 o   49.872   12.914  178.386  110.625  102.292  171.780  232.307  144.602   44.859   18.539   54.885   17.983 -10.02662 25.82856 
1 1 1   -1   23   10 o   75.350   11.439  452.744  111.183  246.011  162.772  633.565  152.230   55.606   19.092   95.095   12.606 -39.48858 22.87791 
1 1 1   -1   23   11 o   46.052   17.830  145.786  148.581  145.786  148.581   0.0000   0.0000   46.052   17.830  ?   ?       ?      ? 
1 1 1    0    0    5 o  425.204   3.6598 11486.41  279.382 11486.41  279.382 11486.41  279.382  425.204   5.1757  425.204   5.1757 -0.000000 0.000000 
1 1 1    0    0    6 o  463.917   3.9310 13673.42  327.410 13673.42  327.410 13673.42  327.410  463.917   5.5592  463.917   5.5592 -0.000000 0.000000 
1 1 1    0    0    8 o  316.668   2.9786  6371.38  169.331  6371.38  169.331  6371.38  169.331  316.668   4.2124  316.668   4.2124 -0.000000 0.000000 
1 1 1    0    0    9 o  176.866   2.3222  1988.46   73.705  1988.46   73.705  1988.46   73.705  176.866   3.2841  176.866   3.2841 -0.000000 0.000000 
1 1 1    0    0   10 o  604.372   4.9478 23209.75  536.883 23209.75  536.883 23209.75  536.883  604.372   6.9973  604.372   6.9973 -0.000000 0.000000 
1 1 1    0    0   11 f   60.881   3.4675  239.934   37.347  239.934   37.347  239.934   37.347   60.881   4.9037   60.881   4.9037 -0.000000 0.000000 
1 1 1    0    0   12 o  413.973   3.6284 10888.24  269.671 10888.24  269.671 10888.24  269.671  413.973   5.1314  413.973   5.1314 -0.000000 0.000000 
1 1 1    0    0   13 o  539.184   4.4955 18471.36  435.180 18471.36  435.180 18471.36  435.180  539.184   6.3576  539.184   6.3576 -0.000000 0.000000 
1 1 1    0    0   14 o  240.281   2.7159  3669.05  117.134  3669.05  117.134  3669.05  117.134  240.281   3.8409  240.281   3.8409 -0.000000 0.000000 
1 1 1    0    0   15 o  473.623   4.0635 14251.93  345.525 14251.93  345.525 14251.93  345.525  473.623   5.7466  473.623   5.7466 -0.000000 0.000000 
1 1 1    0    0   16 o  928.661   10.423 54852.96  1737.35 54852.96  1737.35 54852.96  1737.35  928.661   14.740  928.661   14.740 -0.000000 0.000000 
1 1 1    0    0   17 o  188.695   3.2617  2265.10  110.385  2265.10  110.385  2265.10  110.385  188.695   4.6127  188.695   4.6127 -0.000000 0.000000 
1 1 1    0    0   18 o  1183.16   13.140 89099.05  2790.53 89099.05  2790.53 89099.05  2790.53  1183.16   18.583  1183.16   18.583 -0.000000 0.000000 
1 1 1    0    0   19 o   68.377   10.495  335.841  112.974  335.841  112.974  335.841  112.974   68.377   14.842   68.377   14.842 -0.000000 0.000000 
1 1 1    0    0   20 o  305.778   3.1964  5941.84  175.446  5941.84  175.446  5941.84  175.446  305.778   4.5204  305.778   4.5204 -0.000000 0.000000 
1 1 1    0    0   21 o  388.187   3.6244  9577.20  252.579  9577.20  252.579  9577.20  252.579  388.187   5.1257  388.187   5.1257 -0.000000 0.000000 
1 1 1    0    0   22 o  341.336   3.3890  7406.23  207.661  7406.23  207.661  7406.23  207.661  341.336   4.7928  341.336   4.7928 -0.000000 0.000000 
1 1 1    0    0   23 o  125.348   3.8881  1004.20   87.145  1004.20   87.145  1004.20   87.145  125.348   5.4986  125.348   5.4986 -0.000000 0.000000 
1 1 1    0    0   24 o  300.209   4.0487  5734.73  218.111  5734.73  218.111  5734.73  218.111  300.209   5.7257  300.209   5.7257 -0.000000 0.000000 
1 1 1    0    0   25 o  493.241   4.8053 15482.76  425.489 15482.76  425.489 15482.76  425.489  493.241   6.7957  493.241   6.7957 -0.000000 0.000000 
1 1 1    0    0   26 o  198.411   4.8033  2513.49  170.705  2513.49  170.705  2513.49  170.705  198.411   6.7929  198.411   6.7929 -0.000000 0.000000 
1 1 1    0    0   27 o   27.780   12.621   6.1654  143.749   6.1654  143.749   6.1654  143.749   27.780   17.849   27.780   17.849 -0.000000 0.000000 
1 1 1    0    0   29 o   61.964   16.031  332.565  164.577  332.565  164.577  332.565  164.577   61.964   22.671   61.964   22.671 -0.000000 0.000000 
1 1 1    0    0   30 o  283.885   4.8405  5147.02  246.464  5147.02  246.464  5147.02  246.464  283.885   6.8455  283.885   6.8455 -0.000000 0.000000 
1 1 1    0    0   31 o   35.717   15.125   96.065  173.176   96.065  173.176   96.065  173.176   35.717   21.389   35.717   21.389 -0.000000 0.000000 
1 1 1    0    0   32 o  152.330   7.1213  1516.49  192.870  1516.49  192.870  1516.49  192.870  152.330   10.071  152.330   10.071 -0.000000 0.000000 
1 1 1    0    0   34 o   23.636   11.287 -43.8075  139.763 -43.8075  139.763 -43.8075  139.763   23.636   15.962   23.636   15.962 -0.000000 0.000000 
1 1 1    0    0   35 o   75.315   13.292  459.272  155.549  459.272  155.549  459.272  155.549   75.315   18.797   75.315   18.797 -0.000000 0.000000 
1 1 1    0    2    3 o  279.927   3.3380  5077.63  113.697  5365.64  144.052  4601.77  185.164  290.677   3.9024  269.177   5.4168 21.50000 6.676091 
1 1 1    0    2    4 o  632.569   7.2846 25418.91  585.181 25418.91  585.181   0.0000   0.0000  632.569   7.2846  ?   ?       ?      ? 
1 1 1    0    2    5 o  473.870   4.0167 14250.07  241.584 13906.70  334.900 14622.59  348.829  467.925   5.6359  479.815   5.7248 -11.89050 8.033463 
1 1 1    0    2    6 o  587.030   5.5914 21561.46  354.201 22529.06  736.277 21270.10  404.025  595.372   9.7381  578.688   5.4978 16.68451 11.18286 
1 1 1    0    2    7 o  245.501   3.0329  3987.77   83.625  3480.02  156.110  4192.11   99.032  234.070   5.2518  256.932   3.0351 -22.86203 6.065744 
1 1 1    0    2    8 o  227.208   2.9811  3374.53   75.458  3077.73  144.449  3485.92   88.492  220.123   5.1674  234.293   2.9742 -14.17024 5.962171 
1 1 1    0    2    9 o  479.136   4.6929 14750.93  251.085 14237.21  486.179 14937.78  293.214  473.314   8.0885  484.957   4.7611 -11.64365 9.385734 
1 1 1    0    2   10 o  414.514   4.2302 10756.70  190.341 11220.65  392.128 10613.70  217.709  420.229   7.3479  408.800   4.1936 11.42886 8.460395 
1 1 1    0    2   11 o  671.380   6.3309 28195.88  458.455 29507.36  953.949 27802.01  522.784  681.206   11.027  661.553   6.2227 19.65320 12.66189 
1 1 1    0    2   12 o  225.421   3.0965  3303.57   78.915  3058.39  148.211  3400.59   93.229  219.434   5.3186  231.408   3.1724 -11.97447 6.192909 
1 1 1    0    2   13 o  640.282   6.0373 26094.19  427.361 25965.51  846.836 26138.16  495.021  639.096   10.434  641.469   6.0767 -2.373718 12.07466 
1 1 1    0    2   14 o  241.421   3.3205  3652.11   89.686  3806.44  176.509  3598.40  104.130  244.801   5.6778  238.042   3.4446 6.758331 6.640962 
1 1 1    0    2   15 o  458.434   4.6935 13347.20  273.243   0.0000   0.0000 13347.20  273.243  ?   ?   458.434   4.6935      ?      ? 
1 1 1    0    2   16 o  519.449   8.9410 17145.30  589.800 17145.30  589.800   0.0000   0.0000  519.449   8.9410  ?   ?       ?      ? 
1 1 1    0    2   17 o  904.008   8.8278 51926.71  953.500 52081.86  1659.32 51850.23  1165.06  904.795   14.441  903.221   10.157 1.574219 17.65550 
1 1 1    0    2   18 o  189.759   4.4928  2336.23  105.168  2051.34  163.787  2536.08  137.185  179.694   7.1774  199.823   5.4061 -20.12848 8.985574 
1 1 1    0    2   19 o  790.513   7.3865 39454.75  637.723 40271.77  1295.00 39193.18  732.729  795.622   12.817  785.404   7.3464 10.21722 14.77304 
1 1 1    0    2   20 o  173.881   4.3441  2025.67   81.731  1720.28  160.210  2133.11   95.027  164.505   7.6689  183.258   4.0833 -18.75340 8.688235 
1 1 1    0    2   21 o  166.676   4.2549  1749.46   76.748  1798.37  158.230  1734.41   87.763  168.130   7.4108  165.222   4.1828 2.907730 8.509773 
1 1 1    0    2   22 o  393.065   4.4404  9796.74  193.559  9893.60  383.076  9763.53  224.298  394.189   7.6525  391.942   4.5064 2.247040 8.880753 
1 1 1    0    2   23 o  141.863   4.8529  1271.02   75.978  1301.73  151.987  1260.79   87.726  142.907   8.3748  140.819   4.9056 2.088104 9.705785 
1 1 1    0    2   24 o  117.879   5.9900  878.348   74.597  900.964  158.973  871.962   84.475  118.694   10.547  117.064   5.6823 1.630249 11.98004 
1 1 1    0    2   25 o   99.816   6.9029  623.662   75.425  664.082  154.042  610.916   86.504  101.723   11.925   97.909   6.9572 3.813301 13.80578 
1 1 1    0    2   26 o   93.310   8.1710  580.914   79.595  521.573  166.270  598.555   90.657   89.768   14.585   96.852   7.3708 -7.083694 16.34192 
1 1 1    0    2   27 o  244.053   4.7518  3875.74  129.365  3641.28  248.910  3962.51  151.422  238.603   8.2147  249.503   4.7790 -10.90034 9.503639 
1 1 1    0    2   28 o  405.526   5.2751 10633.14  258.342 10120.02  433.560 10915.63  321.687  397.398   8.5910  413.653   6.1238 -16.25522 10.55019 
1 1 1    0    2   29 o  145.596   6.3519  1394.35   97.192  1302.36  203.369  1421.58  110.645  141.928   11.283  149.264   5.8372 -7.335693 12.70382 
1 1 1    0    2   30 o   87.978   11.292  531.316  120.940  465.061  183.475  582.222  160.825   81.732   18.150   94.223   13.441 -12.49049 22.58441 
1 1 1    0    2   31 f  119.634   8.4036  916.616  126.032  1138.48  196.014  760.250  164.555  131.725   11.718  107.543   12.049 24.18226 16.80720 
1 1 1    0    2   32 o   43.603   12.844   52.631  120.532 -17.2749  177.945  111.895  163.842   40.153   17.746   47.054   18.575 -6.900852 25.68899 
1 1 1    0    2   33 o   26.773   9.4724 -405.8461  123.567 -369.9736  202.628 -427.0851  155.914   30.056   14.820   23.490   11.801 6.566133 18.94487 
1 1 1    0    2   34 o   68.822   11.158  365.012  106.342  154.901  151.012  571.701  149.777   47.495   18.080   90.150   13.083 -42.65576 22.31663 
1 1 1    0    4    1 o  699.406   5.6296 30947.37  498.460 32677.72  741.252 29519.00  673.471  717.169   8.1389  681.644   7.7801 35.52490 11.25928 
1 1 1    0    4    2 o  925.067   14.626 54445.91  1718.20   0.0000   0.0000 54445.91  1718.20  ?   ?   925.067   14.626      ?      ? 
1 1 1    0    4    3 f  135.707   2.1748  1158.28   37.128  953.813   50.112  1407.11   55.282  122.556   3.2198  148.858   2.9244 -26.30155 4.349621 
1 1 1    0    4    4 o  450.900   3.8565 12912.58  220.817 12821.16  310.427 13006.23  314.172  449.284   5.4408  452.515   5.4671 -3.230377 7.713054 
1 1 1    0    4    5 o  633.401   5.1609 25471.91  414.912 24946.30  575.571 26040.53  598.656  626.607   7.2331  640.195   7.3636 -13.58789 10.32183 
1 1 1    0    4    6 o  260.124   3.7673  4297.23  124.449  4297.23  124.449   0.0000   0.0000  260.124   3.7673  ?   ?       ?      ? 
1 1 1    0    4    7 o  897.213   8.7149 51336.48  940.558 51590.93  1159.06 50845.83  1609.50  900.771   10.132  893.654   14.182 7.116699 17.42990 
1 1 1    0    4    8 o  407.599   5.1048 10552.72  264.237 10552.72  264.237   0.0000   0.0000  407.599   5.1048  ?   ?       ?      ? 
1 1 1    0    4    9 f  1345.89   12.884 115819.10  2088.69 116537.60  2578.67 114448.50  3561.59  1352.86   15.009  1338.92   20.947 13.94458 25.76897 
1 1 1    0    4   10 o  610.188   5.8119 23345.93  383.121 24259.33  794.026 23068.76  437.405  617.739   10.122  602.636   5.7155 15.10315 11.62387 
1 1 1    0    4   11 f  433.861   4.5960 12235.22  246.462 10488.26  378.296 13523.60  324.873  406.300   7.3317  461.421   5.5442 -55.12109 9.191985 
1 1 1    0    4   12 o  698.767   6.5856 30392.32  492.092 32226.08  1039.95 29863.27  558.586  711.894   11.503  685.641   6.4153 26.25238 13.17120 
1 1 1    0    4   13 f  405.017   4.2390 10427.24  186.579 10405.29  379.589 10434.23  214.246  404.696   7.3860  405.338   4.1622 -0.6416321 8.477974 
1 1 1    0    4   14 o  777.328   7.2237 38266.86  613.979 38676.85  1241.67 38134.17  706.381  779.879   12.537  774.777   7.1793 5.101563 14.44730 
1 1 1    0    4   15 o  609.032   5.9248 22632.32  376.774 25224.21  833.015 21965.71  422.457  629.983   10.412  588.082   5.6567 41.90100 11.84967 
1 1 1    0    4   16 o  1218.70   11.085 93800.16  1469.86 95904.10  3002.16 93136.83  1685.72  1226.94   19.268  1210.47   10.966 16.47351 22.16991 
1 1 1    0    4   17 o  602.950   5.8191 23226.48  387.186 22840.96  767.088 23358.28  448.513  599.477   10.076  606.424   5.8240 -6.946838 11.63822 
1 1 1    0    4   18 o  484.440   5.2092 15001.60  301.756 14636.79  520.661 15186.11  370.286  479.929   8.5428  488.951   5.9634 -9.022156 10.41833 
1 1 1    0    4   19 o  200.304   3.9501  2502.72   81.649  2628.25  180.916  2470.60   91.497  203.374   7.0049  197.235   3.6530 6.139175 7.900228 
1 1 1    0    4   20 o   55.828   10.703  187.906   67.964  238.837  144.518  173.443   77.012   60.518   17.690   51.139   12.055 9.379417 21.40694 
1 1 1    0    4   21 o  301.509   3.9543  5649.50  127.166  6022.29  270.046  5543.28  144.149  307.647   6.9121  295.372   3.8430 12.27515 7.908541 
1 1 1    0    4   22 o  115.493   5.7197  733.923   66.452  1050.67  162.686  670.492   72.802  128.308   9.9843  102.678   5.5833 25.63042 11.43938 
1 1 1    0    4   23 o  197.144   4.7751  2590.04  108.479  2188.19  192.138  2778.07  131.430  185.271   8.1664  209.016   4.9515 -23.74571 9.550232 
1 1 1    0    4   24 o  476.793   5.0054 14737.77  264.751 13962.39  515.047 15016.23  308.650  467.707   8.6715  485.880   5.0022 -18.17337 10.01085 
1 1 1    0    4   25 o  251.888   4.5190  4052.06  136.061  4012.89  235.770  4071.62  166.602  250.829   7.4017  252.947   5.1865 -2.118118 9.037989 
1 1 1    0    4   26 o  105.021   7.4931  680.232   81.901  757.800  181.502  660.400   91.775  108.313   13.195  101.729   7.1040 6.584282 14.98617 
1 1 1    0    4   27 o  140.666   6.2517  1231.44   92.196  1332.67  200.991  1204.46  103.756  143.881   11.000  137.450   5.9441 6.430588 12.50338 
1 1 1    0    4   28 o   90.873   10.615  630.787   92.620  417.617  194.309  693.461  105.359   77.677   19.676  104.070   7.9721 -26.39261 21.22963 
1 1 1    0    4   29 o  149.861   6.4214  1535.48   99.103  1286.71  206.811  1609.62  112.910  140.893   11.559  158.829   5.5979 -17.93573 12.84283 
1 1 1    0    4   30 o   82.602   10.832  641.226  114.169   16.291  205.724  919.357  137.243   45.852   19.682  119.351   9.0550 -73.49905 21.66493 
1 1 1    0    4   31 o   65.895   12.509  279.413   90.909  364.862  203.738  258.170  101.582   70.619   21.098   61.170   13.444 9.449394 25.01725 
1 1 1    0    4   32 o  171.526   6.1974  1965.27  113.545  1842.96  231.540  2004.00  130.286  166.549   10.947  176.504   5.8126 -9.955475 12.39471 
1 1 1    0    4   33 o  138.208   6.8456  1275.43  118.566  1249.13  181.660  1294.95  156.496  136.405   10.487  140.010   8.8017 -3.605377 13.69110 
1 1 1    0    4   34 o   46.611   17.832  152.009  147.365  152.009  147.365   0.0000   0.0000   46.611   17.832  ?   ?       ?      ? 
1 1 1    0    6    0 o  626.229   7.2204 24905.80  574.013 25359.03  824.967 24480.43  799.200  631.746   10.283  620.711   10.139 11.03442 14.44072 
1 1 1    0    6    1 o  325.006   3.0542  6708.12  126.052  6781.21  179.212  6636.56  177.333  326.758   4.3188  323.254   4.3199 3.504059 6.108441 
1 1 1    0    6    2 o  442.133   3.8092 12408.55  213.778 12146.45  296.892 12690.78  308.074  437.289   5.3463  446.977   5.4274 -9.688446 7.618362 
1 1 1    0    6    3 o  378.363   3.3920  9092.67  162.983  9134.48  231.105  9051.29  229.886  379.229   4.7988  377.498   4.7954 1.730713 6.784080 
1 1 1    0    6    4 o  732.547   5.8845 34102.23  547.386 33856.29  768.866 34355.01  779.487  729.872   8.2952  735.223   8.3486 -5.351624 11.76897 
1 1 1    0    6    5 o  781.645   6.2496 38833.14  620.345 38984.51  880.753 38684.12  873.888  783.155   8.8558  780.135   8.8208 3.019897 12.49930 
1 1 1    0    6    6 o  371.588   3.3532  8769.71  158.233  8729.23  223.103  8810.68  224.453  370.725   4.7389  372.451   4.7455 -1.725311 6.706447 
1 1 1    0    6    7 o  363.043   3.3035  8367.69  152.266  8512.16  218.380  8231.00  212.417  366.090   4.6973  359.995   4.6464 6.095734 6.607073 
1 1 1    0    6    8 o  682.493   5.5371 29541.05  479.248 28581.25  657.219 30630.98  700.353  670.684   7.7164  694.302   7.9431 -23.61871 11.07411 
1 1 1    0    6    9 o  588.759   4.8696 21907.41  362.757 20757.65  488.303 23323.46  541.906  571.617   6.7268  605.901   7.0428 -34.28436 9.739103 
1 1 1    0    6   10 o  459.607   3.9723 13415.78  231.821 13525.82  330.868 13309.68  324.902  461.457   5.6461  457.757   5.5891 3.700043 7.944538 
1 1 1    0    6   11 o  752.855   6.0906 35955.56  581.522 37159.41  849.428 34893.63  797.790  764.686   8.7471  741.024   8.4777 23.66144 12.18130 
1 1 1    0    6   12 o  258.779   2.6922  4213.52   83.508  4370.56  145.589  4136.53  101.945  262.333   4.3702  255.225   3.1453 7.108459 5.384370 
1 1 1    0    6   13 o  1035.80   9.4650 68011.45  1076.10 68674.87  2163.11 67793.27  1240.50  1038.73   16.398  1032.87   9.4574 5.860718 18.93003 
1 1 1    0    6   14 o  393.992   4.3122  9999.20  183.662  9594.34  372.798 10128.96  211.052  388.616   7.5540  399.369   4.1614 -10.75320 8.624358 
1 1 1    0    6   15 o  969.473   9.6568 55866.63  1034.29 67833.80  2145.69 52244.39  1180.48  1032.31   16.367  906.638   10.253 125.6697 19.31359 
1 1 1    0    6   16 f  305.199   3.9888  5751.56  121.021  6183.16  283.408  5655.31  133.837  311.977   7.1534  298.420   3.5316 13.55716 7.977656 
1 1 1    0    6   17 o  103.000   5.4772  630.547   46.983  733.374  139.173  617.321   49.913  107.408   10.203   98.592   3.9865 8.815437 10.95443 
1 1 1    0    6   18 o  300.172   4.0120  5626.90  120.655  5883.42  277.813  5567.26  133.947  304.269   7.1898  296.075   3.5625 8.193726 8.024012 
1 1 1    0    6   19 o  327.131   4.0319  6693.85  136.226  6987.23  301.020  6618.30  152.765  331.479   7.1509  322.784   3.7268 8.695038 8.063787 
1 1 1    0    6   20 o  291.483   3.8198  5297.92  115.115  5581.29  254.563  5225.08  129.064  296.182   6.7680  286.783   3.5439 9.399261 7.639664 
1 1 1    0    6   21 o  286.426   3.9381  5239.36  116.158  5179.85  254.226  5255.06  130.586  285.261   7.0178  287.590   3.5756 -2.329376 7.876169 
1 1 1    0    6   22 o  420.819   4.5533 11410.48  208.623 11001.59  419.403 11544.92  240.486  415.481   7.9488  426.158   4.4437 -10.67700 9.106593 
1 1 1    0    6   23 o  201.393   4.3441  2668.85   84.630  2448.62  197.139  2718.61   93.704  195.957   7.9220  206.829   3.5675 -10.87227 8.688248 
1 1 1    0    6   24 o  137.874   6.0433  1276.03   69.292  1133.05  191.915  1297.46   74.305  132.898   11.371  142.851   4.0960 -9.952530 12.08654 
1 1 1    0    6   25 o  243.542   4.2313  3854.80  103.877  3654.53  231.325  3905.39  116.258  239.243   7.6139  247.842   3.6938 -8.598770 8.462565 
1 1 1    0    6   26 o   56.690   10.891  238.757   70.640   88.227  185.815  264.188   76.374   49.189   19.664   64.191   9.3691 -15.00210 21.78200 
1 1 1    0    6   27 o   84.947   10.017  378.265   95.473  786.659  191.504  243.186  110.136  109.985   13.711   59.909   14.608 50.07649 20.03454 
1 1 1    0    6   28 f  128.900   6.6831  1033.47   79.115  1121.27  204.489  1018.02   85.796  131.446   12.250  126.355   5.3468 5.090286 13.36629 
1 1 1    0    6   29 o   61.119   12.628  215.631   78.258  316.846  216.395  200.402   83.939   67.871   21.986   54.366   12.429 13.50514 25.25589 
1 1 1    0    6   30 o   83.112   10.605  455.836   98.190  504.892  188.071  437.454  115.126   84.458   18.080   81.767   11.087 2.691437 21.20914 
1 1 1    0    6   31 o   91.560   8.6633  533.255   91.846  626.694  174.529  497.467  108.012   96.022   14.313   87.097   9.7654 8.925697 17.32665 
1 1 1    0    6   32 o   92.181   13.857  700.623  155.551  457.811  256.632  841.634  195.571   74.113   23.936  110.249   13.969 -36.13641 27.71401 
1 1 1    0    6   33 o   49.873   13.200  178.790  120.542   22.553  216.026  249.431  145.259   43.317   19.325   56.430   17.986 -13.11292 26.39924 
1 1 1    0    6   34 o   40.964   12.913   42.201  132.926   9.8615  224.295   59.708  165.029   41.721   19.045   40.208   17.444 1.513859 25.82639 
1 1 1    0    8    0 o  969.876   10.825 59658.89  1330.69 62141.08  1957.27 57525.39  1814.59  988.563   15.591  951.190   15.022 37.37354 21.65038 
1 1 1    0    8    1 o  340.578   3.1878  7365.87  137.860  7431.12  196.765  7302.95  193.210  342.059   4.5297  339.097   4.4867 2.961975 6.375629 
1 1 1    0    8    2 o  825.793   6.5799 43343.06  690.021 43493.39  979.021 43194.66  972.683  827.214   9.3196  824.371   9.2912 2.843201 13.15981 
1 1 1    0    8    3 o  251.298   2.7185  3986.36   86.470  4319.54  128.794  3712.93  116.676  260.800   3.8888  241.796   3.7998 19.00385 5.436971 
1 1 1    0    8    4 o  738.295   5.9349 34624.09  556.274 35176.71  798.835 34103.84  775.084  744.007   8.4548  732.582   8.3313 11.42517 11.86989 
1 1 1    0    8    5 o  305.635   4.1983  5932.54  162.951   0.0000   0.0000  5932.54  162.951  ?   ?   305.635   4.1983      ?      ? 
1 1 1    0    8    6 o  1126.04   10.825 80808.88  1462.08 80992.69  1795.29 80446.85  2519.49  1128.42   12.528  1123.65   17.656 4.770630 21.64953 
1 1 1    0    8    7 o  662.719   6.5843 28204.11  529.691 26903.85  880.250 28942.20  663.205  650.523   10.655  674.915   7.7379 -24.39203 13.16852 
1 1 1    0    8    8 o  363.495   3.3509  8368.32  154.412  8778.69  226.735  8013.37  210.870  371.781   4.8023  355.208   4.6747 16.57306 6.701898 
1 1 1    0    8    9 o  336.384   3.2172  7186.70  137.427  7128.52  194.697  7244.46  194.006  335.027   4.5762  337.741   4.5233 -2.714233 6.434395 
1 1 1    0    8   10 o  813.770   6.5227 42034.73  673.513 40979.15  929.728 43200.39  977.012  803.039   9.1168  824.500   9.3311 -21.46155 13.04548 
1 1 1    0    8   11 o  164.870   2.7853  1728.70   58.226  1632.89   82.876  1822.09   81.822  160.352   4.0698  169.389   3.8037 -9.036942 5.570627 
1 1 1    0    8   12 o  742.130   6.0349 34989.37  568.703 34640.76  797.591 35349.91  811.114  738.372   8.5060  745.888   8.5631 -7.516113 12.06977 
1 1 1    0    8   13 o  1088.78   8.6529 75368.09  1196.32 74774.52  1679.89 75978.87  1704.06  1084.43   12.198  1093.12   12.276 -8.688721 17.30575 
1 1 1    0    8   14 o  728.169   5.9783 33691.14  552.817 33607.86  782.835 33773.99  780.772  727.270   8.4761  729.068   8.4329 -1.797913 11.95654 
1 1 1    0    8   15 f  638.284   6.1224 26029.06  432.475 25604.97  853.150 26175.73  501.714  634.638   10.586  641.929   6.1545 -7.290649 12.24482 
1 1 1    0    8   16 o  557.341   5.5309 19546.47  332.436 20109.06  689.047 19375.79  379.528  562.393   9.6479  552.290   5.4113 10.10272 11.06180 
1 1 1    0    8   17 o  372.303   4.2374  8855.94  167.689  8722.10  351.011  8895.51  190.880  370.384   7.4626  374.222   4.0166 -3.837585 8.474854 
1 1 1    0    8   18 o   92.170   6.2777  475.931   38.793  622.374  150.470  465.504   40.150   98.740   12.000   85.601   3.6934 13.13895 12.55550 
1 1 1    0    8   19 o  365.415   4.2384  8497.04  162.408  8485.31  347.613  8500.32  183.688  365.079   7.4978  365.750   3.9548 -0.6705933 8.476817 
1 1 1    0    8   20 o  282.593   3.8864  4875.18  108.326  5406.94  258.088  4761.46  119.347  291.433   6.9735  273.753   3.4330 17.67917 7.772749 
1 1 1    0    8   21 o  398.956   4.4461 10122.22  188.351 10147.35  396.453 10114.89  214.050  399.009   7.8240  398.903   4.2254 0.1060486 8.892117 
1 1 1    0    8   22 o  351.284   4.1553  7651.00  150.438  8206.02  335.466  7511.29  168.310  358.807   7.3622  343.760   3.8555 15.04721 8.310670 
1 1 1    0    8   23 o  318.060   4.2271  6275.94  132.379  6708.83  313.269  6181.83  146.061  324.274   7.6072  311.846   3.6882 12.42789 8.454167 
1 1 1    0    8   24 o  352.919   4.3343  7773.23  155.296  8214.21  352.009  7666.67  173.046  358.621   7.7293  347.217   3.9245 11.40436 8.668546 
1 1 1    0    8   25 o  180.166   4.9615  2014.03   76.047  2152.59  215.042  1994.23   81.300  183.243   9.2410  177.090   3.6151 6.153061 9.922922 
1 1 1    0    8   26 o   21.264   7.8487 -226.8982   59.916 -434.9569  187.434 -203.2178   63.234   27.976   13.877   14.551   7.3369 13.42462 15.69735 
1 1 1    0    8   27 o   41.938   11.629   48.032   57.000  163.458  188.368   36.398   59.803   54.601   20.319   29.275   11.318 25.32622 23.25873 
1 1 1    0    8   28 o   67.546   11.280  379.793   62.619  163.852  217.080  399.392   65.399   56.095   21.598   78.997   6.5190 -22.90263 22.56053 
1 1 1    0    8   29 o  105.680   8.5375  685.855   67.305  797.673  223.448  674.698   70.583  108.647   16.195  102.714   5.4112 5.933395 17.07510 
1 1 1    0    8   30 o  185.376   6.2414  2254.93  144.631  2139.54  221.663  2340.48  190.855  180.751   9.6569  190.001   7.9099 -9.250244 12.48282 
1 1 1    0    8   31 o  249.702   6.5573  4057.15  203.383  4376.33  328.071  3857.91  259.201  256.746   10.062  242.658   8.4113 14.08839 13.11469 
1 1 1    0    8   32 o   65.992   14.492  355.675  131.084  373.864  218.884  345.503  163.683   66.151   22.144   65.833   18.701 0.3178482 28.98417 
1 1 1    0    8   33 o  112.325   9.9589  932.870  138.807  879.861  214.884  970.828  181.836  107.712   15.710  116.939   12.245 -9.227432 19.91779 
1 1 1    0   10    0 o  568.435   6.6751 20510.22  481.564 20972.45  695.722 20085.07  667.239  574.576   9.5348  562.294   9.3442 12.28168 13.35011 
1 1 1    0   10    1 f  212.494   3.3106  2894.05   83.833  2790.89  145.181  2945.65  102.681  209.619   5.4538  215.370   3.7543 -5.751175 6.621110 
1 1 1    0   10    2 o  388.330   4.2946  9615.44  201.516  9699.12  249.776  9459.42  341.067  390.783   5.0331  385.878   6.9600 4.905182 8.589216 
1 1 1    0   10    3 o  413.570   3.6824 10859.81  193.349 11007.38  277.391 10720.36  269.647  416.301   5.2470  410.839   5.1683 5.461670 7.364892 
1 1 1    0   10    4 o  900.353   8.7693 51376.22  940.788 51049.71  1145.16 52054.12  1650.06  896.201   10.062  904.505   14.365 -8.304077 17.53853 
1 1 1    0   10    5 o  353.932   3.3353  7952.91  149.883  7781.83  209.726  8131.50  214.279  350.043   4.7180  357.821   4.7156 -7.778198 6.670530 
1 1 1    0   10    6 o  210.376   2.7926  2811.22   74.582  2783.81  106.554  2837.54  104.428  209.370   4.0075  211.382   3.8902 -2.011826 5.585179 
1 1 1    0   10    7 o  452.655   3.9744 13013.28  228.453 13053.06  325.040 12974.44  321.158  453.339   5.6459  451.972   5.5954 1.366272 7.948896 
1 1 1    0   10    8 o  896.169   7.1340 51030.91  811.753 51619.18  1161.06 50468.40  1135.36  901.216   10.145  891.122   10.033 10.09314 14.26794 
1 1 1    0   10    9 o  500.835   4.3285 15932.67  275.295 15886.84  390.120 15978.13  388.535  500.117   6.1426  501.553   6.1001 -1.435944 8.656904 
1 1 1    0   10   10 o  619.229   5.1442 24359.31  404.520 24391.78  573.390 24327.14  570.775  619.639   7.2868  618.818   7.2631 0.8206177 10.28834 
1 1 1    0   10   11 o  415.571   3.8156 10965.80  201.298 11079.56  289.021 10858.63  280.527  417.662   5.4491  413.480   5.3425 4.182648 7.631183 
1 1 1    0   10   12 o  167.419   4.1606  1780.06   88.457   0.0000   0.0000  1780.06   88.457  ?   ?   167.419   4.1606      ?      ? 
1 1 1    0   10   13 o  114.205   3.5164  818.052   50.406  894.185   78.720  765.145   65.623  118.650   5.2244  109.759   4.7080 8.891235 7.032798 
1 1 1    0   10   14 o  442.162   3.9771 12395.53  222.931 12825.74  326.987 12021.88  304.732  449.311   5.7307  435.012   5.5162 14.29944 7.954175 
1 1 1    0   10   15 o  572.084   4.8597 20807.44  353.051 20662.82  499.009 20952.38  499.570  570.091   6.8926  574.076   6.8525 -3.984802 9.719331 
1 1 1    0   10   16 o  449.505   4.6503 12840.56  265.454   0.0000   0.0000 12840.56  265.454  ?   ?   449.505   4.6503      ?      ? 
1 1 1    0   10   17 o  267.491   4.8398  4569.91  163.780  4284.13  237.148  4830.52  226.461  259.435   7.1980  275.546   6.4717 -16.11185 9.679614 
1 1 1    0   10   18 o  202.860   5.1648  2637.35  132.000  2455.28  195.197  2790.78  179.182  196.324   7.8293  209.395   6.7383 -13.07169 10.32967 
1 1 1    0   10   19 o  198.353   5.0879  2505.94  127.804  2506.56  187.889  2505.41  174.354  198.353   7.4591  198.354   6.9217 -0.8239746E-03 10.17583 
1 1 1    0   10   20 o  214.018   5.1210  2912.51  137.407  2957.70  212.678  2880.13  180.024  215.382   7.7757  212.654   6.6662 2.727402 10.24204 
1 1 1    0   10   21 o  267.371   5.0759  4533.84  171.130  4749.20  260.266  4369.82  227.132  272.884   7.5104  261.858   6.8302 11.02658 10.15173 
1 1 1    0   10   22 o  214.903   5.3936  2953.36  145.895  2907.61  220.591  2988.93  194.514  213.341   8.1421  216.465   7.0760 -3.123444 10.78715 
1 1 1    0   10   23 o  279.582   5.1333  4991.12  181.721  4991.31  267.417  4990.96  247.700  279.526   7.5333  279.637   6.9751 -0.1102600 10.26664 
1 1 1    0   10   24 o  157.037   8.2901  1695.28  154.428  1181.34  239.917  2058.84  201.787  134.839   14.011  179.235   8.8653 -44.39613 16.58014 
1 1 1    0   10   25 o   55.971   18.562  200.666  153.887   0.0000   0.0000  200.666  153.887  ?   ?    55.971   18.562      ?      ? 
1 1 1    0   10   26 o  102.608   10.106  698.896  127.848  650.112  202.556  731.199  164.829   99.164   16.085  106.053   12.239 -6.889854 20.21145 
1 1 1    0   10   27 o  160.467   7.0276  1671.02  139.586  1649.93  222.973  1684.61  179.001  159.274   11.024  161.659   8.7192 -2.385071 14.05521 
1 1 1    0   10   28 o   85.830   12.447  570.793  130.069  311.332  208.101  737.139  166.626   66.067   21.570  105.593   12.426 -39.52671 24.89318 
1 1 1    0   10   29 o  118.473   9.5750  1003.60  133.099  769.929  217.696  1143.09  168.198  105.165   16.301  131.780   10.051 -26.61578 19.15001 
1 1 1    0   10   30 o   28.193   10.073 -702.9953  171.896 -916.6336  277.429 -569.8686  219.000   28.510   14.484   27.876   14.002 0.6340618 20.14567 
1 1 1    0   12    0 o  651.250   7.5994 26931.15  628.299 26428.14  875.242 27465.97  902.484  644.981   10.686  657.519   10.808 -12.53821 15.19874 
1 1 1    0   12    1 o  591.096   4.9604 22191.37  372.318 21918.38  522.168 22473.70  531.018  587.399   7.0000  594.793   7.0302 -7.393494 9.920869 
1 1 1    0   12    2 o  456.705   5.7998 13108.40  334.236 12017.89  443.168 14546.95  509.001  434.922   8.0238  478.489   8.3766 -43.56665 11.59954 
1 1 1    0   12    3 f  959.067   9.3980 57476.75  1053.38 61109.99  1937.09 55951.25  1255.19  979.914   15.566  938.219   10.535 41.69409 18.79606 
1 1 1    0   12    4 f  1169.91   9.1885 87005.49  1364.66 85559.02  1899.97 88546.91  1961.34  1159.88   12.899  1179.93   13.089 -20.05103 18.37700 
1 1 1    0   12    5 o  1313.67   10.272 109752.80  1713.13 111469.90  2460.62 108137.50  2386.53  1323.62   14.639  1303.72   14.415 19.89441 20.54449 
1 1 1    0   12    6 o  684.644   5.5940 29766.34  486.174 30279.16  699.561 29287.28  676.145  690.341   7.9797  678.946   7.8420 11.39398 11.18803 
1 1 1    0   12    7 o  560.750   4.7393 19968.67  337.395 20228.53  483.972 19722.96  470.607  564.296   6.7536  557.203   6.6507 7.092529 9.478549 
1 1 1    0   12    8 o  631.433   5.2200 25311.78  418.307 25845.84  604.813 24822.05  579.171  637.808   7.4671  625.057   7.2964 12.75134 10.44009 
1 1 1    0   12    9 o  544.276   4.6187 18819.76  319.234 18729.07  451.506 18910.42  451.424  542.964   6.5481  545.588   6.5154 -2.623840 9.237333 
1 1 1    0   12   10 f  350.189   3.4493  7790.33  153.379  7697.12  217.562  7882.43  216.264  348.105   4.9215  352.273   4.8342 -4.167664 6.898598 
1 1 1    0   12   11 o  360.239   3.4876  8241.26  159.475  8340.34  229.552  8148.82  221.716  362.329   4.9888  358.149   4.8748 4.180115 6.975102 
1 1 1    0   12   12 o  303.272   3.1891  5840.51  122.746  5925.10  177.295  5762.64  170.105  305.378   4.5717  301.167   4.4477 4.210510 6.378294 
1 1 1    0   12   13 o  133.052   3.1927  1123.89   53.912  1154.77   77.963  1095.60   74.631  134.801   4.5543  131.304   4.4757 3.497070 6.385417 
1 1 1    0   12   14 o  331.901   3.3679  7005.27  141.876  6877.69  202.838  7127.48  198.517  328.935   4.8558  334.868   4.6682 -5.933777 6.735771 
1 1 1    0   12   15 o  414.541   3.8175 10928.55  200.928 10883.88  286.641 10971.71  281.731  413.701   5.4560  415.380   5.3409 -1.678955 7.634971 
1 1 1    0   12   16 o  178.737   3.1511  2068.70   70.111  1779.75  105.363  2298.32   93.925  167.303   4.9591  190.171   3.8892 -22.86879 6.302293 
1 1 1    0   12   17 o  232.309   3.9956  3403.96  112.396  3337.18  138.698  3531.70  191.828  229.087   4.7675  235.531   6.4133 -6.443939 7.991246 
1 1 1    0   12   18 o  124.728   6.7910  995.869  106.943  979.070  159.319  1009.65  144.278  123.722   10.140  125.733   9.0359 -2.011322 13.58197 
1 1 1    0   12   19 o  209.778   5.1854  2807.55  137.669  2792.67  202.972  2820.24  187.351  209.224   7.6392  210.332   7.0141 -1.107971 10.37087 
1 1 1    0   12   20 o  200.994   5.2567  2529.27  131.211  2807.60  213.069  2359.24  166.534  209.649   8.0029  192.339   6.8180 17.30998 10.51344 
1 1 1    0   12   21 o  164.874   6.1406  1735.12  124.138  1758.68  204.677  1721.41  156.133  165.588   9.7333  164.161   7.4894 1.427689 12.28124 
1 1 1    0   12   22 o  149.808   7.2138  1466.52  133.250  1330.72  209.836  1558.30  172.493  143.653   11.502  155.963   8.7091 -12.31026 14.42753 
1 1 1    0   12   23 o  112.643   8.5361  825.912  119.964  794.712  185.901  848.177  157.038  110.593   13.237  114.693   10.782 -4.100105 17.07211 
1 1 1    0   12   24 o  124.949   8.5425  1067.64  127.983  782.023  198.097  1272.27  167.674  109.290   14.273  140.608   9.3903 -31.31785 17.08505 
1 1 1    0   12   25 o  112.382   9.5573  794.381  132.792  1108.42  211.599  590.341  170.561  130.124   12.805   94.640   14.192 35.48434 19.11457 
1 1 1    0   12   26 o  129.169   7.8166  1089.03  126.146  1100.02  197.102  1081.39  164.173  129.392   11.995  128.946   10.026 0.4459839 15.63325 
1 1 1    0   12   27 o   37.393   12.330 -148.9090  141.035 -85.1127  218.457 -194.5016  184.679   41.301   18.831   33.484   15.921 7.817467 24.65928 
1 1 1    0   14    0 o  301.442   4.6090  5764.46  175.976  5868.90  259.417  5675.44  239.509  303.965   6.7204  298.920   6.3094 5.045471 9.218091 
1 1 1    0   14    1 o  430.632   3.9024 11781.12  213.394 11768.47  303.621 11793.46  299.982  430.402   5.5550  430.861   5.4825 -0.4595947 7.804835 
1 1 1    0   14    2 o  651.071   5.3615 26940.59  443.247 27091.88  632.064 26794.19  621.756  652.866   7.6236  649.277   7.5407 3.589783 10.72294 
1 1 1    0   14    3 o  1010.43   7.9962 64982.20  1026.01 65219.84  1457.63 64748.82  1444.47  1012.26   11.339  1008.61   11.277 3.648621 15.99234 
1 1 1    0   14    4 o  210.704   3.1820  2822.32   84.981  2783.88  123.619  2856.76  117.014  209.339   4.6501  212.068   4.3449 -2.728882 6.364084 
1 1 1    0   14    5 o  150.002   3.5808  1424.11   67.986  1494.50  101.173  1366.15   91.802  153.366   5.1947  146.637   4.9298 6.729065 7.161522 
1 1 1    0   14    6 o  564.235   5.8388 20409.34  398.833 20781.24  496.716 19734.48  669.115  571.699   6.8417  556.770   9.4634 14.92871 11.67752 
1 1 1    0   14    7 o  482.792   5.2592 14882.96  301.959 14671.63  527.950 14985.69  368.112  480.073   8.6598  485.511   5.9704 -5.438324 10.51845 
1 1 1    0   14    8 o  349.202   3.4565  7752.50  153.232  7635.92  218.386  7865.56  215.059  346.611   4.9614  351.794   4.8138 -5.183472 6.912931 
1 1 1    0   14    9 o  343.142   3.4387  7479.00  149.710  7604.81  217.108  7364.95  206.719  345.885   4.9427  340.399   4.7821 5.486328 6.877396 
1 1 1    0   14   10 o  157.922   3.3327  1593.05   66.501  1474.55   96.566  1699.94   91.713  152.299   4.9929  163.546   4.4159 -11.24687 6.665494 
1 1 1    0   14   11 o   98.038   4.2904  609.722   53.226  631.009   79.211  592.198   71.869   99.588   6.2633   96.488   5.8653 3.099213 8.580812 
1 1 1    0   14   12 o  211.958   3.0124  2858.42   80.834  2816.64  118.619  2894.63  110.450  210.501   4.4373  213.414   4.0753 -2.912628 6.024806 
1 1 1    0   14   13 o  200.784   3.0165  2561.37   76.747  2581.61  112.502  2543.74  104.963  201.519   4.3961  200.049   4.1316 1.469849 6.032909 
1 1 1    0   14   14 o  313.647   3.3009  6255.74  131.460  6128.65  185.670  6383.50  186.157  310.448   4.7095  316.845   4.6265 -6.397034 6.601816 
1 1 1    0   14   15 o   39.417   7.9673  100.089   41.902  120.864   62.975   83.585   56.129   42.690   11.401   36.145   11.132 6.544704 15.93456 
1 1 1    0   14   16 o  151.526   3.1507  1467.70   60.194  1387.58   89.192  1534.71   81.571  147.692   4.7554  155.360   4.1345 -7.667648 6.301412 
1 1 1    0   14   17 o  133.760   3.4717  1125.99   57.213  1189.52   94.128  1088.76   72.050  136.687   5.4227  130.833   4.3365 5.853821 6.943367 
1 1 1    0   14   18 o  100.481   6.8545  650.618   78.824  655.039   93.326  639.617  147.230  101.293   7.2551   99.670   11.632 1.622833 13.70910 
1 1 1    0   14   19 o  163.144   6.7094  1700.81  138.181  1765.07  208.600  1650.55  184.456  165.805   9.9069  160.483   9.0508 5.322495 13.41878 
1 1 1    0   14   20 o  272.038   5.8653  4727.88  199.419  4809.35  312.063  4671.65  259.263  273.812   8.9745  270.264   7.5540 3.548065 11.73050 
1 1 1    0   14   21 o  143.650   7.6280  1347.74  133.077  1272.73  219.915  1391.07  167.155  140.100   12.361  147.199   8.9421 -7.098770 15.25597 
1 1 1    0   14   22 o  249.080   5.5806  3955.92  174.486  4126.58  270.324  3834.04  228.448  253.495   8.3973  244.665   7.3525 8.829681 11.16127 
1 1 1    0   14   23 o   40.348   12.092 -55.3661  124.113 -308.7846  192.072  126.301  162.624   31.407   15.258   49.290   18.762 -17.88231 24.18337 
1 1 1    0   14   24 f   81.584   12.061  470.368  119.954  418.664  192.240  503.335  153.503   76.197   19.716   86.970   13.898 -10.77314 24.12239 
1 1 1    0   16    0 o  647.716   7.5825 26690.16  623.145 27350.60  904.321 26093.04  859.879  655.312   10.867  640.120   10.578 15.19159 15.16496 
1 1 1    0   16    1 o  313.127   3.3743  6238.59  133.955  6126.88  194.119  6340.15  185.087  310.437   4.9240  315.817   4.6149 -5.380646 6.748546 
1 1 1    0   16    2 o  165.470   3.3960  1740.86   71.335  1732.32  102.169  1748.98   99.645  165.071   4.8738  165.869   4.7306 -0.7975464 6.792074 
1 1 1    0   16    3 o  408.260   3.8100 10595.95  197.486 10288.62  276.637 10915.35  282.016  402.222   5.4159  414.298   5.3602 -12.07623 7.619934 
1 1 1    0   16    4 o  325.742   4.1050  6801.35  163.558  6948.43  206.532  6553.96  267.857  330.585   4.9196  320.899   6.5729 9.686554 8.210058 
1 1 1    0   16    5 o  181.925   3.3638  2096.24   77.463  2198.80  115.227  2011.66  104.636  185.964   4.8792  177.886   4.6319 8.078217 6.727640 
1 1 1    0   16    6 o  401.116   3.7595 10232.71  191.461 10246.92  273.739 10219.09  267.889  401.382   5.3703  400.850   5.2625 0.5320435 7.518961 
1 1 1    0   16    7 o  181.385   3.4187  2102.65   78.162  1992.11  116.053  2194.42  105.741  176.982   5.1636  185.788   4.4818 -8.806595 6.837306 
1 1 1    0   16    8 o  297.056   3.3220  5609.87  125.194  5635.80  181.342  5586.26  173.050  297.703   4.7967  296.409   4.5973 1.293640 6.644024 
1 1 1    0   16    9 o  296.547   3.2908  5578.25  123.619  5778.38  182.574  5408.83  167.983  301.436   4.7694  291.659   4.5354 9.776794 6.581570 
1 1 1    0   16   10 o  160.976   3.5158  1646.33   71.592  1670.23  106.379  1626.55   96.792  162.031   5.1699  159.921   4.7660 2.110046 7.031550 
1 1 1    0   16   11 o  198.258   3.2836  2489.88   82.485  2652.49  121.762  2351.97  112.135  204.213   4.6952  192.304   4.5917 11.90878 6.567243 
1 1 1    0   16   12 o  111.148   4.2864  799.579   59.469  652.449   86.111  933.732   82.226  101.177   6.7019  121.120   5.3458 -19.94328 8.572861 
1 1 1    0   16   13 o  315.348   3.4154  6329.10  136.748  6255.41  194.679  6400.88  192.127  313.527   4.8895  317.168   4.7700 -3.641479 6.830862 
1 1 1    0   16   14 o  200.776   3.2794  2565.41   83.534  2560.12  120.747  2570.27  115.686  200.568   4.7406  200.985   4.5325 -0.4167786 6.558771 
1 1 1    0   16   15 o  166.136   3.5129  1757.97   73.779  1750.48  109.560  1764.20   99.800  165.790   5.2037  166.482   4.7205 -0.6922455 7.025786 
1 1 1    0   16   16 o  241.069   3.4871  3693.65  106.541  3377.92  147.518  4037.91  154.037  230.304   5.0439  251.833   4.8165 -21.52884 6.974199 
1 1 1    0   16   17 o  193.832   3.5584  2401.61   86.976  2318.48  129.680  2469.58  117.262  190.730   5.3539  196.933   4.6888 -6.202286 7.116855 
1 1 1    0   16   18 o  115.654   4.0809  833.927   56.203  908.655  100.317  799.740   67.852  119.258   6.6238  112.049   4.7685 7.209694 8.161702 
1 1 1    0   16   19 o  187.335   5.0029  2162.30  105.133  2073.02  121.575  2427.02  209.348  180.281   5.3103  194.390   8.4804 -14.10963 10.00583 
1 1 1    0   16   20 o  183.637   6.6977  2170.94  155.555  2251.56  232.345  2105.45  209.414  186.607   9.8045  180.667   9.1274 5.939804 13.39547 
1 1 1    0   16   21 o   43.471   13.133   18.733  118.701   68.038  216.581  -2.4360  141.913   49.441   20.656   37.501   16.223 11.94038 26.26530 
1 1 1    0   18    0 o  565.098   6.8569 20350.01  491.917 20546.15  705.878 20164.81  685.902  567.723   9.7907  562.472   9.6025 5.251038 13.71373 
1 1 1    0   18    1 o  103.179   5.5533  665.174   71.730  763.944  113.701  599.876   92.449  109.385   8.1852   96.973   7.5072 12.41276 11.10653 
1 1 1    0   18    2 o  299.676   3.4742  5719.33  132.088  5525.23  188.765  5905.55  184.897  294.673   5.0443  304.679   4.7787 -10.00592 6.948472 
1 1 1    0   18    3 o   57.024   9.5835  217.136   67.975  224.490  102.892  211.442   90.548   57.839   14.129   56.208   12.952 1.630905 19.16709 
1 1 1    0   18    4 o   95.318   5.6826  582.804   68.412  548.198  100.226  612.991   93.610   92.624   8.5208   98.013   7.5207 -5.389107 11.36511 
1 1 1    0   18    5 o  257.277   3.4134  4211.81  111.313  4210.78  162.449  4212.72  152.832  257.231   4.9730  257.323   4.6769 -0.9234619E-01 6.826704 
1 1 1    0   18    6 o  145.303   4.1464  1355.67   75.752  1252.40  112.726  1440.70  102.291  140.178   6.3324  150.428   5.3547 -10.25018 8.292860 
1 1 1    0   18    7 o  326.201   3.5619  6774.46  147.507  6724.25  210.829  6822.61  206.452  325.005   5.1081  327.397   4.9655 -2.391449 7.123886 
1 1 1    0   18    8 o   43.956   9.0911   92.337   63.600  237.152   97.974 -13.1307   83.611   59.435   13.311   28.477   12.386 30.95837 18.18228 
1 1 1    0   18    9 o  160.881   4.0082  1657.24   81.116  1584.96  121.923  1714.65  108.651  157.676   6.0890  164.087   5.2141 -6.411743 8.016412 
1 1 1    0   18   10 o   51.765   10.107  175.851   68.904  218.530  103.352  141.704   92.446   56.918   14.313   46.613   14.275 10.30444 20.21484 
1 1 1    0   18   11 o   75.707   6.8743  476.197   80.241 -209.6333  120.340  1025.21  107.670   24.682   12.011  126.732   6.6901 -102.0499 13.74856 
1 1 1    0   18   12 f  400.039   4.0056 10202.33  203.245 10221.66  294.905 10184.85  280.499  400.360   5.8003  399.718   5.5259 0.6421509 8.011180 
1 1 1    0   18   13 o  110.383   5.3644  785.750   74.599  701.773  108.310  861.542  102.897  104.663   8.1489  116.104   6.9788 -11.44079 10.72880 
1 1 1    0   18   14 o  143.316   4.2020  1313.09   76.241  1279.12  111.450  1342.97  104.526  141.538   6.2005  145.093   5.6728 -3.555222 8.404016 
1 1 1    0   18   15 o  267.774   3.4276  4576.81  116.380  4394.64  166.941  4749.06  162.328  262.549   5.0070  273.000   4.6822 -10.45108 6.855156 
1 1 1    0   18   16 o   76.667   6.1338  375.599   59.261  400.711   90.642  356.851   78.318   78.842   9.0531   74.493   8.2788 4.348183 12.26769 
1 1 1    0   18   17 o  136.456   3.9378  1203.31   67.277  1096.24  101.258  1287.93   90.018  130.873   6.0926  142.040   4.9905 -11.16711 7.875566 
1 1 1    0   18   18 o  169.838   3.9794  1853.98   85.471  1699.92  122.719  1999.11  119.110  162.881   5.9328  176.794   5.3052 -13.91324 7.958873 
1 1 1    0   20    0 o  199.193   5.6761  2520.69  143.283  2676.55  211.127  2387.61  195.088  204.871   8.1149  193.515   7.9385 11.35600 11.35216 
1 1 1    0   20    1 o  139.373   5.3214  1254.88   93.028  1146.13  139.163  1342.74  125.083  133.764   8.1923  144.982   6.7937 -11.21721 10.64278 
1 1 1    0   20    2 f   22.710   7.9328 -272.1738   84.589 -369.9756  126.506 -193.0854  113.761   21.250   10.670   24.169   11.742 -2.918182 15.86566 
1 1 1    0   20    3 o  277.469   3.8372  4907.15  134.987  4538.60  188.988  5291.01  192.874  266.803   5.5778  288.134   5.2711 -21.33096 7.674398 
1 1 1    0   20    4 o   88.650   7.8299  506.764   87.883  513.711  129.781  500.882  119.433   89.159   11.462   88.141   10.670 1.017723 15.65988 
1 1 1    0   20    5 o  255.762   3.8007  4176.84  123.240  3996.87  176.794  4346.95  171.884  250.358   5.5607  261.165   5.1825 -10.80707 7.601307 
1 1 1    0   20    6 o  181.930   4.1714  2111.98   96.362  2065.09  135.804  2159.52  136.753  179.889   5.9447  183.970   5.8534 -4.081116 8.342798 
1 1 1    0   20    7 o  241.993   3.7382  3723.91  113.934  3809.31  173.444  3659.09  151.109  244.368   5.5891  239.618   4.9658 4.750000 7.476439 
1 1 1    0   20    8 o  202.997   3.9368  2626.25  100.730  2653.84  152.374  2604.82  134.249  203.885   5.8850  202.108   5.2306 1.776947 7.873519 
1 1 1    0   20    9 o   25.382   8.5259 -125.5561   74.369 -155.5162  112.916 -102.6033   98.833   25.393   12.176   25.371   11.938 0.2272987E-01 17.05183 
1 1 1    0   20   10 o  172.449   4.3320  1901.23   94.862  1912.58  135.174  1890.21  133.160  172.951   6.1545  171.947   6.0982 1.003510 8.664059 
1 1 1    0   20   11 o  113.180   5.5011  814.566   78.650  924.485  118.438  727.859  105.192  119.938   7.7760  106.421   7.7836 13.51753 11.00228 
1 1 1    0   20   12 o  150.936   4.3261  1458.62   82.853  1463.19  119.702  1454.41  114.794  151.139   6.2366  150.734   5.9970 0.4045410 8.652115 
1 1 1    0   20   13 o  134.014   4.7232  1168.85   79.036  1050.50  119.458  1260.99  105.405  127.735   7.3642  140.292   5.9163 -12.55679 9.446412 
1 1 1    0   20   14 o   92.287   6.5217  551.695   75.943  578.667  115.112  530.907  101.056   94.173   9.6254   90.402   8.8025 3.770981 13.04345 
1 1 1    0   20   15 o   77.956   8.1862  403.402   80.914  373.388  112.531  435.532  116.429   74.879   11.834   81.033   11.314 -6.153648 16.37244 
1 1 1    0   22    0 o  212.965   5.8986  2918.35  157.631  2819.12  239.928  2993.72  209.088  209.606   9.0136  216.324   7.6111 -6.717651 11.79720 
1 1 1    0   22    1 o  313.784   3.9116  6309.74  155.406  6190.81  227.522  6413.75  212.773  310.903   5.7626  316.666   5.2910 -5.762268 7.823205 
1 1 1    0   22    2 o   70.960   10.263  357.521   89.944  251.549  134.331  443.641  121.097   59.789   16.927   82.132   11.610 -22.34286 20.52604 
1 1 1    0   22    3 o   53.158   11.755  191.779   87.286  211.828  134.749  177.284  114.572   55.334   17.283   50.982   15.938 4.351582 23.50991 
1 1 1    0   22    4 o  154.267   4.9618  1528.29   96.372  1561.48  146.852  1503.19  127.722  155.606   7.4315  152.929   6.5766 2.676758 9.923631 
1 1 1    0   22    5 o  271.867   3.7912  4735.99  130.649  4684.50  190.051  4782.12  179.897  270.390   5.5348  273.345   5.1825 -2.954895 7.582331 
1 1 1    0   22    6 o   66.326   10.234  292.120   86.776  444.404  133.440  180.533  114.227   81.553   12.885   51.099   15.904 30.45467 20.46850 
1 1 1    0   22    7 o  108.580   6.4996  751.989   88.300  877.170  140.356  669.991  113.596  115.765   9.5473  101.396   8.8220 14.36892 12.99916 
1 1 1    0   22    8 o  170.542   4.5622  1872.06   97.908  1896.36  149.224  1853.70  129.737  171.346   6.8579  169.738   6.0187 1.607224 9.124449 
1 1 1    0   22    9 o   54.991   10.350  124.823   97.701  466.771  154.143 -104.8049  126.315   80.866   15.575   29.115   13.634 51.75079 20.69963 
1 1 1    0   22   10 o  214.562   6.1286  3287.61  148.797  2317.39  253.561  3797.22  183.766  186.448   10.709  242.676   5.9629 -56.22823 12.25718 
1 1 1    0   22   11 o  133.479   7.8375  1195.94  132.035  1213.09  198.381  1182.31  176.911  133.941   11.663  133.018   10.473 0.9227142 15.67504 
1 1 1    0   22   12 o   60.943   12.852  287.234  108.304  331.095  149.801  239.199  156.766   65.768   17.593   56.119   18.740 9.649620 25.70399 
1 1 1    0   24    0 o   98.151   11.601  643.016  138.254  880.647  221.308  490.919  177.054  113.552   15.347   82.750   17.400 30.80247 23.20142 
1 1 1    0   24    1 o   89.460   8.8186  553.424   97.197  583.395  158.951  535.524  122.840   90.430   13.841   88.490   10.931 1.939514 17.63717 
1 1 1    0   24    2 o   56.340   12.088  234.965   91.542  309.266  152.383  193.010  114.506   62.163   18.163   50.518   15.955 11.64547 24.17532 
1 1 1    0   24    3 o   74.686   10.472  428.750   94.216  334.242  148.757  492.054  121.747   64.895   17.604   84.477   11.349 -19.58259 20.94493 
1 1 1    0   24    4 f  196.891   4.5909  2543.08  112.839  2472.10  174.963  2593.62  147.650  193.985   7.1023  199.797   5.8192 -5.812378 9.181840 
1 1 1    0   24    5 o   52.225   12.126  206.783   92.173  262.581  144.227  168.260  119.840   57.075   17.889   47.375   16.375 9.700405 24.25178 
1 1 1    0   24    6 o   61.142   12.415  293.271  124.470   40.716  179.696  526.204  172.574   40.680   17.913   81.604   17.195 -40.92408 24.83050 
1 1 1    0   24    7 o   55.477   13.408  243.549  119.040  372.726  176.854  136.546  160.961   65.669   19.666   45.286   18.232 20.38212 26.81660 
1 1 1    1    1    1 o   5.2810   2.6589 -25.6887   8.1435   0.0000   0.0000 -25.6887   8.1435  ?   ?    5.2810   2.6589      ?      ? 
1 1 1    1    1    5 o  731.929   8.2937 34045.23  770.696 34553.41  1105.10 33564.04  1075.36  737.239   11.804  726.619   11.654 10.62042 16.58733 
1 1 1    1    1    7 o  129.404   2.1469  1063.38   35.281  1057.15   49.857  1069.64   49.932  129.024   3.0429  129.784   3.0296 -0.7597809 4.293871 
1 1 1    1    1    8 o  454.458   3.8808 13115.22  223.928 13310.95  320.512 12928.58  312.987  457.769   5.5134  451.148   5.4630 6.621246 7.761566 
1 1 1    1    1    9 o   62.696   3.1887  259.363   23.889  360.873   33.869  158.868   33.699   75.382   3.5380   50.011   5.3061 25.37117 6.377482 
1 1 1    1    1   10 o  710.229   5.7181 32055.23  515.724 31918.30  726.602 32194.24  732.117  708.702   8.0734  711.757   8.0997 -3.054810 11.43615 
1 1 1    1    1   11 o  426.176   3.7062 11511.03  200.304 12005.31  292.897 11076.77  274.538  434.750   5.3052  417.602   5.1768 17.14761 7.412420 
1 1 1    1    1   12 f   91.661   2.7159  534.818   31.535  497.129   44.964  571.300   44.239   88.475   4.0019   94.847   3.6729 -6.372147 5.431850 
1 1 1    1    1   13 o  513.425   4.3085 16744.62  280.920 16694.63  396.489 16795.00  398.078  512.656   6.0901  514.195   6.0963 -1.538513 8.617087 
1 1 1    1    1   14 o  923.354   10.337 54196.54  1212.06 54196.54  1212.06   0.0000   0.0000  923.354   10.337  ?   ?       ?      ? 
1 1 1    1    1   15 o  1072.16   8.4278 73075.11  1147.33 73856.80  1639.73 72325.30  1605.93  1077.77   11.980  1066.56   11.857 11.21826 16.85556 
1 1 1    1    1   16 o  1127.45   8.8557 80730.48  1266.79 82963.25  1839.65 78717.05  1746.95  1142.24   12.682  1112.67   12.363 29.57532 17.71145 
1 1 1    1    1   17 o  835.279   6.6863 44335.75  709.222 44510.29  1007.29 44164.16  998.744  836.907   9.4777  833.650   9.4339 3.257324 13.37255 
1 1 1    1    1   18 o  673.801   5.5020 28826.51  470.573 29418.74  678.213 28276.72  653.460  680.467   7.8484  667.135   7.7131 13.33148 11.00404 
1 1 1    1    1   19 o  213.402   2.9857  2894.43   80.826  2947.03  112.339  2837.97  116.379  215.415   4.1065  211.389   4.3353 4.025955 5.971442 
1 1 1    1    1   20 o  246.592   3.0703  3863.25   96.126  3926.17  135.329  3799.17  136.566  248.620   4.2862  244.564   4.3972 4.056320 6.140591 
1 1 1    1    1   21 o  109.652   4.0930  761.899   56.811  853.599   82.713  680.008   78.165  115.882   5.6206  103.423   5.9514 12.45895 8.185975 
1 1 1    1    1   22 o  251.995   3.7974  3977.74  107.891  4167.61  209.991  3909.64  125.760  255.944   6.4607  248.046   3.9924 7.897873 7.594702 
1 1 1    1    1   23 o  342.030   4.1817  7660.50  163.678  6930.33  299.355  7971.88  195.486  329.913   7.1451  354.147   4.3467 -24.23343 8.363385 
1 1 1    1    1   24 o  158.784   4.4662  1569.42   80.478  1684.32  155.862  1527.65   93.975  162.572   7.5495  154.996   4.7743 7.575745 8.932458 
1 1 1    1    1   25 o   99.294   7.6865  728.080   76.318  472.759  153.314  812.190   87.996   85.649   14.096  112.938   6.1354 -27.28902 15.37297 
1 1 1    1    1   26 o   82.314   8.7867  446.509   75.547  436.294  153.875  449.754   86.719   80.718   15.576   83.910   8.1381 -3.191521 17.57347 
1 1 1    1    1   27 o   92.248   9.5295  649.403   84.434  412.498  170.524  726.348   97.183   77.838   17.657  106.659   7.1749 -28.82082 19.05892 
1 1 1    1    1   28 o  409.405   5.4221 10642.87  266.869 10962.51  461.389 10482.18  327.145  413.525   8.7859  405.285   6.3563 8.239319 10.84412 
1 1 1    1    1   29 o  194.400   5.5936  2401.92  136.976  2567.07  209.955  2279.52  180.739  200.094   8.2626  188.707   7.5420 11.38686 11.18712 
1 1 1    1    1   30 o   50.499   13.592  130.393  121.526   94.821  174.912  163.589  168.969   48.021   19.117   52.977   19.325 -4.956139 27.18314 
1 1 1    1    1   31 o   80.959   12.838  463.534  128.498  480.018  188.643  449.265  175.513   82.178   18.520   79.740   17.785 2.438492 25.67649 
1 1 1    1    1   32 o  119.173   9.0615  966.163  134.793  825.516  198.619  1086.24  183.526  110.303   14.179  128.043   11.287 -17.73971 18.12296 
1 1 1    1    1   33 o   27.534   9.7275 -424.8026  130.334 -341.6543  206.234 -480.0942  168.176   31.094   15.256   23.974   12.072 7.120129 19.45495 
1 1 1    1    1   34 o   48.858   12.404  161.250  102.452  257.367  149.860   76.906  140.383   57.076   18.276   40.641   16.775 16.43467 24.80781 
1 1 1    1    3    0 o  354.976   3.1936  8001.75  143.957  7942.48  202.427  8062.40  204.766  353.646   4.5074  356.305   4.5254 -2.659485 6.387147 
1 1 1    1    3    3 o  276.620   3.8340  4859.27  134.684  4859.27  134.684   0.0000   0.0000  276.620   3.8340  ?   ?       ?      ? 
1 1 1    1    3    4 o  475.645   5.7145 14369.62  345.177 14369.62  345.177   0.0000   0.0000  475.645   5.7145  ?   ?       ?      ? 
1 1 1    1    3    5 o  991.857   15.639 62622.22  1969.86 62622.22  1969.86   0.0000   0.0000  991.857   15.639  ?   ?       ?      ? 
1 1 1    1    3    6 o  558.374   6.5853 19806.89  466.955 19806.89  466.955   0.0000   0.0000  558.374   6.5853  ?   ?       ?      ? 
1 1 1    1    3    7 o  1091.08   17.154 75875.60  2376.84 75875.60  2376.84   0.0000   0.0000  1091.08   17.154  ?   ?       ?      ? 
1 1 1    1    3    8 o  251.137   3.1257  4199.50   87.444  3596.17  164.447  4437.35  103.252  237.936   5.4424  264.339   3.0758 -26.40256 6.251391 
1 1 1    1    3    9 o  530.767   5.1142 18047.09  301.411 17596.18  590.241 18206.15  350.565  526.156   8.8336  535.377   5.1562 -9.221191 10.22833 
1 1 1    1    3   10 o  585.637   5.5661 21944.66  361.556 21483.21  709.958 22106.24  420.115  581.343   9.6166  589.931   5.6078 -8.587280 11.13222 
1 1 1    1    3   11 o  407.011   4.1853 10346.43  183.624 10857.38  382.711 10193.63  209.288  413.387   7.2902  400.635   4.1136 12.75186 8.370652 
1 1 1    1    3   12 o  333.859   4.4993  7079.73  190.750  6987.99  268.071  7173.83  271.483  331.669   6.3646  336.050   6.3615 -4.381531 8.998684 
1 1 1    1    3   13 f  754.204   7.0350 35828.55  576.164 36791.25  1181.70 35528.32  659.920  760.583   12.234  747.825   6.9489 12.75806 14.07010 
1 1 1    1    3   14 o  803.358   7.4273 41069.26  657.600 40933.87  1309.70 41114.89  760.398  802.253   12.855  804.463   7.4432 -2.210510 14.85464 
1 1 1    1    3   15 o  927.180   8.5002 54643.76  867.145 54677.63  1733.01 54632.45  1001.54  927.076   14.720  927.284   8.5051 -0.2073975 17.00043 
1 1 1    1    3   16 o  982.699   8.9061 62525.82  990.456 58923.75  1865.77 63939.21  1168.73  962.301   15.268  1003.10   9.1747 -40.79730 17.81221 
1 1 1    1    3   17 o  386.323   4.3306  9518.48  185.515  9400.82  365.279  9559.37  215.356  384.674   7.4775  387.973   4.3710 -3.298523 8.661282 
1 1 1    1    3   18 o  519.655   5.2027 17106.42  297.144 17255.81  596.093 17057.02  342.767  521.087   9.0080  518.222   5.2084 2.864136 10.40532 
1 1 1    1    3   19 o  263.449   3.7173  4397.96  110.110  4431.59  213.266  4385.74  128.572  264.112   6.3585  262.787   3.8527 1.324432 7.434657 
1 1 1    1    3   20 f  354.136   4.1549  7991.59  162.449  7926.15  322.291  8013.88  188.091  353.087   7.1877  355.185   4.1700 -2.098419 8.309727 
1 1 1    1    3   21 o  328.832   4.0579  6948.92  148.433  6721.69  289.246  7030.15  172.941  325.035   7.0075  332.629   4.0941 -7.593933 8.115805 
1 1 1    1    3   22 o  248.343   3.9290  4052.86  107.604  3656.57  208.532  4196.67  125.620  239.695   6.8507  256.992   3.8491 -17.29703 7.858004 
1 1 1    1    3   23 o  341.225   4.1772  7505.81  158.335  7205.42  308.551  7613.19  184.476  336.360   7.2234  346.090   4.1973 -9.729889 8.354381 
1 1 1    1    3   24 o   75.859   9.0293  390.013   67.940  352.843  147.204  400.074   76.585   72.496   16.376   79.222   7.6123 -6.726242 18.05859 
1 1 1    1    3   25 o  134.746   5.2092  1170.68   75.195  1133.86  154.879  1182.03   86.013  133.186   9.1570  136.306   4.9690 -3.119400 10.41836 
1 1 1    1    3   26 f  121.717   6.2508  907.133   78.120  1018.17  176.769  880.183   87.085  125.891   11.057  117.544   5.8340 8.346321 12.50167 
1 1 1    1    3   27 o  149.790   5.9336  1347.18   91.253  1590.56  208.855  1289.76  101.449  157.310   10.455  142.270   5.6151 15.03993 11.86719 
1 1 1    1    3   28 f   95.397   11.826  734.027  104.116  423.860  230.607  813.438  116.685   78.094   22.202  112.699   8.1530 -34.60497 23.65171 
1 1 1    1    3   29 o   98.643   9.7528  670.213   88.832  603.481  206.826  685.308   98.367   93.835   18.011  103.452   7.4874 -9.616348 19.50569 
1 1 1    1    3   30 o  196.569   5.6471  2569.11  116.919  2329.00  241.876  2642.32  133.559  189.671   10.042  203.468   5.1689 -13.79729 11.29411 
1 1 1    1    3   31 o   91.472   10.947  624.728  100.436  479.567  204.871  670.652  115.234   81.238   19.994  101.705   8.9219 -20.46725 21.89401 
1 1 1    1    3   32 o  103.059   8.8157  608.639   94.623  915.730  221.320  539.951  104.672  115.285   15.117   90.833   9.0741 24.45198 17.63147 
1 1 1    1    3   33 o   40.753   12.431   28.669  119.576 -66.4246  192.643   88.270  152.513   38.278   17.539   43.228   17.622 -4.950058 24.86267 
1 1 1    1    3   34 o   49.356   17.722  182.618  141.351  182.618  141.351   0.0000   0.0000   49.356   17.722  ?   ?       ?      ? 
1 1 1    1    5    0 o  733.971   5.8846 34232.10  548.492 34160.09  774.022 34304.72  777.358  733.196   8.3130  734.745   8.3312 -1.549255 11.76919 
1 1 1    1    5    1 o  145.194   2.2380  1337.27   41.212  1437.44   59.277  1243.54   57.337  150.452   3.1025  139.937   3.2264 10.51523 4.476093 
1 1 1    1    5    2 o  748.030   7.3458 35529.67  656.689 35444.22  802.393 35703.01  1142.80  746.826   8.4604  749.234   12.011 -2.407532 14.69152 
1 1 1    1    5    3 o  615.409   5.0253 23978.49  391.762 25216.40  579.367 22935.67  531.760  629.984   7.2418  600.833   6.9692 29.15088 10.05055 
1 1 1    1    5    4 f  215.041   2.4543  2929.02   66.934  2781.10   91.851  3096.50   97.740  209.267   3.4563  220.815   3.4855 -11.54761 4.908610 
1 1 1    1    5    5 o  485.234   4.1075 14952.39  253.053 14744.64  353.436 15170.92  362.478  481.778   5.7768  488.690   5.8408 -6.912201 8.214973 
1 1 1    1    5    6 o  249.568   2.6312  3955.12   83.388  3910.54  117.239  4000.77  118.631  248.144   3.7204  250.991   3.7219 -2.846512 5.262496 
1 1 1    1    5    7 o  313.355   2.9876  6221.86  118.738  5952.16  162.981  6526.92  173.339  306.136   4.1922  320.574   4.2578 -14.43893 5.975292 
1 1 1    1    5    8 o  186.036   2.3979  2163.24   56.202  2539.87   85.835  1880.60   74.357  199.987   3.3797  172.085   3.4025 27.90161 4.795814 
1 1 1    1    5   10 o   94.593   2.5970  568.193   31.197   0.0000   0.0000  568.193   31.197  ?   ?    94.593   2.5970      ?      ? 
1 1 1    1    5   11 o  907.403   8.8604 52371.89  966.680 52371.38  1659.82 52372.15  1189.17  907.148   14.408  907.658   10.317 -0.5104980 17.72085 
1 1 1    1    5   12 o  417.476   4.2987 11034.07  195.073 11142.11  397.908 10999.89  223.814  418.775   7.4821  416.178   4.2348 2.597198 8.597402 
1 1 1    1    5   13 o  886.213   8.2005 49290.90  786.020 51163.06  1625.70 48719.73  897.954  896.755   14.275  875.670   8.0749 21.08423 16.40094 
1 1 1    1    5   14 f  258.525   3.6401  4274.99   96.054  4193.97  212.403  4295.82  107.695  256.956   6.5091  260.093   3.2605 -3.137238 7.280119 
1 1 1    1    5   15 o  531.726   5.2841 17919.42  305.049 18042.76  622.859 17880.50  349.883  532.857   9.2045  530.595   5.1926 2.262329 10.56817 
1 1 1    1    5   16 o  309.027   4.0499  5923.77  127.295  6304.12  288.531  5831.85  141.846  315.014   7.2125  303.041   3.6859 11.97360 8.099719 
1 1 1    1    5   17 o  343.677   4.0279  7479.56  147.674  7544.19  309.419  7460.50  168.048  344.604   7.0705  342.749   3.8608 1.854767 8.055897 
1 1 1    1    5   18 o  696.221   6.6072 30607.54  499.421 31208.53  1022.83 30419.40  572.278  700.477   11.498  691.964   6.5125 8.514038 13.21444 
1 1 1    1    5   19 o  215.976   3.8614  2876.48   82.572  3104.49  194.548  2826.38   91.194  220.999   6.9320  210.953   3.4041 10.04579 7.722721 
1 1 1    1    5   20 o  182.188   4.3174  2120.06   74.479  2096.25  181.770  2124.86   81.648  181.485   7.8869  182.890   3.5154 -1.405487 8.634866 
1 1 1    1    5   21 o  588.609   5.7673 21857.37  366.147 22471.20  758.282 21670.73  418.122  593.459   10.061  583.758   5.6402 9.700806 11.53452 
1 1 1    1    5   22 o  248.764   4.0010  3915.23  100.275  3971.02  227.427  3901.77  111.721  249.725   7.1713  247.803   3.5502 1.922729 8.001999 
1 1 1    1    5   23 o  151.017   4.8161  1456.47   70.677  1446.13  167.037  1458.73   78.003  150.544   8.7372  151.490   4.0546 -0.9456940 9.632159 
1 1 1    1    5   24 o  389.727   4.4814  9527.20  184.341  9937.66  395.101  9412.98  208.416  394.691   7.8827  384.763   4.2654 9.927826 8.962708 
1 1 1    1    5   25 o  153.696   5.3635  1588.46   80.129  1382.89  182.768  1637.38   89.153  146.946   9.7941  160.445   4.3756 -13.49982 10.72708 
1 1 1    1    5   26 o   93.775   8.0666  491.539   72.278  687.049  188.105  457.673   78.288  102.889   14.396   84.660   7.2818 18.22914 16.13320 
1 1 1    1    5   27 o  335.231   4.9133  7429.85  197.495  6339.99  325.464  8065.05  248.470  314.722   8.1433  355.740   5.5000 -41.01807 9.826650 
1 1 1    1    5   28 o   85.450   9.6143  462.439   79.016  517.720  185.597  450.200   87.326   87.089   17.390   83.811   8.2048 3.278755 19.22860 
1 1 1    1    5   29 f   76.026   11.301  376.962   81.914  409.270  204.217  370.767   89.423   76.201   20.608   75.852   9.2834 0.3486938 22.60204 
1 1 1    1    5   30 o  147.784   6.1044  1313.57   87.073  1565.12  216.091  1264.81   95.138  154.885   10.986  140.683   5.3252 14.20230 12.20882 
1 1 1    1    5   31 o   64.190   12.144  244.142   82.028  396.348  197.781  212.523   90.147   73.026   20.492   55.353   13.039 17.67280 24.28832 
1 1 1    1    5   32 o  178.294   6.2420  1527.15  112.355  3184.26  287.736  1229.02  122.044  218.910   10.350  137.678   6.9803 81.23245 12.48406 
1 1 1    1    5   33 o  115.508   9.4645  974.877  125.280  820.199  219.075  1050.04  152.716  105.742   16.314  125.274   9.5994 -19.53178 18.92894 
1 1 1    1    5   34 o  104.495   11.568  832.693  143.899  864.331  237.000  814.218  181.103  102.908   18.829  106.083   13.443 -3.175362 23.13550 
1 1 1    1    7    0 o  229.666   2.5836  3348.59   75.340  3427.80  107.698  3272.69  105.432  232.325   3.6503  227.008   3.6572 5.317169 5.167238 
1 1 1    1    7    1 o   61.038   3.6909  239.536   27.838  173.558   38.804  309.495   39.958   52.270   5.8459   69.806   4.5074 -17.53645 7.381809 
1 1 1    1    7    2 o  581.268   4.7894 21453.96  353.390 21872.85  508.815 21063.59  491.188  586.743   6.8286  575.792   6.7174 10.95105 9.578852 
1 1 1    1    7    3 o  952.114   7.5192 57642.79  909.161 57659.44  1286.28 57626.16  1285.22  952.250   10.637  951.977   10.631 0.2740479 15.03849 
1 1 1    1    7    4 o  657.818   5.3421 27474.57  446.016 28094.36  643.986 26903.19  618.321  664.938   7.6264  650.698   7.4827 14.24030 10.68418 
1 1 1    1    7    5 o  264.113   2.7588  4386.52   92.073  3960.72  123.181  4925.58  138.599  249.732   3.8841  278.493   3.9189 -28.76164 5.517649 
1 1 1    1    7    6 o  638.106   5.2045 25775.00  420.603 27123.09  623.243 24647.55  569.966  653.363   7.5115  622.849   7.2059 30.51349 10.40900 
1 1 1    1    7    7 o  617.968   5.0646 24238.41  397.184 23649.21  549.499 24883.03  574.759  610.115   7.0922  625.820   7.2320 -15.70599 10.12918 
1 1 1    1    7    8 o  407.510   5.0943 10547.52  263.634   0.0000   0.0000 10547.52  263.634  ?   ?   407.510   5.0943      ?      ? 
1 1 1    1    7    9 o  189.049   2.5591  2271.12   61.383  2228.95   88.219  2310.70   85.463  187.346   3.7080  190.752   3.5280 -3.406204 5.118239 
1 1 1    1    7   10 o  339.625   3.2447  7298.69  139.602  7702.35  206.398  6958.30  189.533  348.247   4.6670  331.003   4.5090 17.24493 6.489357 
1 1 1    1    7   11 o  252.657   2.8236  4047.39   90.470  4172.54  132.165  3937.04  124.104  256.325   4.0602  248.988   3.9249 7.337433 5.647126 
1 1 1    1    7   12 o  433.564   3.8899 11894.03  213.534 12496.99  317.130 11393.93  288.816  443.576   5.6298  423.553   5.3695 20.02301 7.779867 
1 1 1    1    7   13 o  556.750   5.4948 20052.99  343.289 18920.50  655.744 20480.55  402.913  545.648   9.4633  567.851   5.5873 -22.20258 10.98963 
1 1 1    1    7   14 o  701.205   7.3463 26978.53  530.775 38966.67  1259.58 24390.17  585.276  782.796   12.671  619.615   7.4381 163.1810 14.69253 
1 1 1    1    7   15 o  370.343   4.2997  8566.26  164.561  8963.43  363.602  8463.95  184.544  375.613   7.6227  365.073   3.9805 10.54034 8.599429 
1 1 1    1    7   16 o  372.369   4.2080  8634.63  164.169  9115.35  356.721  8505.45  184.915  378.775   7.4160  365.963   3.9789 12.81238 8.415955 
1 1 1    1    7   17 o  279.092   3.8300  4826.73  106.305  5144.65  248.296  4755.37  117.632  284.544   6.8714  273.641   3.3851 10.90286 7.659929 
1 1 1    1    7   18 o  317.923   4.0336  6326.49  129.251  6583.60  294.900  6265.36  143.799  321.779   7.2167  314.068   3.6054 7.710358 8.067213 
1 1 1    1    7   19 o  408.807   4.4645 10755.99  196.835 10388.35  401.475 10872.32  225.841  403.974   7.8258  413.640   4.2993 -9.666168 8.929018 
1 1 1    1    7   20 o  178.610   4.1287  2142.15   67.378  1868.55  166.301  2195.89   73.698  171.299   7.6447  185.921   3.1214 -14.62111 8.257387 
1 1 1    1    7   21 f  556.718   5.5629 19363.70  328.777 20453.21  701.025 19056.48  372.255  566.045   9.7523  547.392   5.3551 18.65302 11.12579 
1 1 1    1    7   22 o  273.652   3.4764  4758.68  120.812   0.0000   0.0000  4758.68  120.812  ?   ?   273.652   3.4764      ?      ? 
1 1 1    1    7   23 o   84.203   7.2033  412.673   50.332  510.536  151.539  400.539   53.361   89.067   13.398   79.339   5.2961 9.727325 14.40654 
1 1 1    1    7   24 o  320.481   4.1749  6453.85  136.428  6690.72  306.069  6395.12  152.406  323.807   7.4431  317.155   3.7840 6.652161 8.349782 
1 1 1    1    7   25 o  127.474   5.1726  958.354   62.088  1159.89  159.913  922.581   67.373  134.532   9.3601  120.415   4.4058 14.11692 10.34519 
1 1 1    1    7   26 o  188.049   5.7028  2508.00  111.867  1823.90  220.021  2746.50  129.913  168.422   10.287  207.676   4.9259 -39.25470 11.40555 
1 1 1    1    7   27 o  182.983   4.8740  2160.92   82.436  2109.02  206.295  2170.78   89.928  181.254   8.9624  184.713   3.8337 -3.458710 9.747925 
1 1 1    1    7   28 o   82.539   10.092  442.167   66.845  472.599  194.794  438.105   71.166   82.329   19.015   82.749   6.7723 -0.4199905 20.18489 
1 1 1    1    7   29 o   59.263   12.364  204.891   70.206  283.327  216.858  195.708   74.203   64.677   22.039   53.849   11.215 10.82805 24.72855 
1 1 1    1    7   30 o  106.814   8.2098  728.400   75.371  787.820  209.071  719.524   80.804  107.740   15.280  105.888   6.0091 1.851944 16.41956 
1 1 1    1    7   31 o   99.302   12.840  692.116  149.719  803.977  262.889  638.418  182.143  102.608   20.885   95.996   14.941 6.611588 25.67930 
1 1 1    1    7   32 o  119.075   9.3139  1016.27  135.010  778.879  202.396  1206.58  181.219  104.360   15.272  133.790   10.666 -29.43002 18.62779 
1 1 1    1    7   33 o   79.049   12.259  564.034  131.598  215.918  212.090  781.959  167.807   52.915   21.055  105.183   12.563 -52.26794 24.51850 
1 1 1    1    9    0 o  364.765   3.3478  8448.74  155.053  8541.32  221.727  8360.14  216.910  366.720   4.7611  362.810   4.7079 3.909424 6.695657 
1 1 1    1    9    1 o  103.152   2.9498  678.076   38.412  591.018   54.167  766.144   54.480   96.467   4.4216  109.836   3.9058 -13.36881 5.899660 
1 1 1    1    9    2 o  735.008   5.9127 34308.09  551.651 33641.74  766.512 35024.09  794.547  727.613   8.2955  742.402   8.4276 -14.78931 11.82535 
1 1 1    1    9    3 o  195.548   2.5974  2421.04   64.380  2547.01   94.658  2312.60   87.820  200.267   3.7220  190.829   3.6239 9.437180 5.194746 
1 1 1    1    9    4 o  966.903   7.6348 59433.98  937.418 59030.00  1317.22 59848.54  1334.37  963.578   10.764  970.228   10.830 -6.650085 15.26959 
1 1 1    1    9    5 o  384.894   4.2921  9530.10  200.403  9835.59  251.122  8994.37  332.555  393.520   5.0251  376.268   6.9597 17.25174 8.584167 
1 1 1    1    9    6 o  591.450   4.8859 22222.67  366.979 22133.59  518.067 22312.38  519.911  590.260   6.9114  592.639   6.9081 -2.379333 9.771873 
1 1 1    1    9    7 o  1570.14   15.032 156517.20  2807.70 155169.91  3410.91 159348.50  4944.70  1560.93   17.207  1579.34   24.654 -18.40991 30.06498 
1 1 1    1    9    8 o  570.681   4.7481 20685.16  344.079 20463.17  482.842 20914.21  490.451  567.571   6.6990  573.791   6.7308 -6.219849 9.496264 
1 1 1    1    9    9 o  538.664   4.5402 18424.56  310.515 18128.13  433.897 18735.76  444.567  534.225   6.3956  543.103   6.4458 -8.877991 9.080343 
1 1 1    1    9   10 o  476.540   4.1581 14404.31  251.374 14833.12  365.755 14020.44  346.056  483.251   5.9599  469.830   5.8000 13.42075 8.316293 
1 1 1    1    9   11 o  657.251   5.4200 27440.39  452.354 27202.52  635.032 27685.42  644.524  654.361   7.6419  660.141   7.6882 -5.780518 10.84005 
1 1 1    1    9   12 o  561.716   4.7644 20029.15  339.683 20459.74  490.145 19631.24  471.183  567.519   6.8009  555.914   6.6743 11.60480 9.528817 
1 1 1    1    9   13 f  717.167   5.9112 32645.71  537.919 33512.91  780.019 31859.28  742.810  726.233   8.4577  708.101   8.2605 18.13226 11.82234 
1 1 1    1    9   14 o  277.142   3.2058  4886.53  112.621  4595.87  160.451  5168.80  158.116  269.002   4.6969  285.282   4.3644 -16.27969 6.411593 
1 1 1    1    9   15 o  470.354   5.9564 14052.50  355.525 14314.66  514.455 13812.85  491.880  474.543   8.5368  466.164   8.3089 8.378296 11.91277 
1 1 1    1    9   16 o  280.790   4.7524  5000.69  169.186  5201.66  247.980  4825.67  231.409  286.051   6.8265  275.528   6.6136 10.52228 9.504737 
1 1 1    1    9   17 o  282.939   4.8147  5080.92  172.605  5250.96  254.385  4935.83  234.970  287.304   6.9722  278.573   6.6419 8.730621 9.629495 
1 1 1    1    9   18 o  253.732   4.8309  4064.00  154.683  4380.87  235.185  3822.43  205.349  262.359   7.0589  245.104   6.5973 17.25540 9.661859 
1 1 1    1    9   19 o  216.829   5.0628  2997.28  138.571  2956.97  206.885  3030.08  186.618  215.471   7.5607  218.187   6.7351 -2.716110 10.12553 
1 1 1    1    9   20 o  206.369   5.2197  2706.15  135.960  2775.40  205.005  2651.77  181.657  208.686   7.7356  204.052   7.0102 4.634048 10.43947 
1 1 1    1    9   21 o  130.980   6.5141  1092.98  106.736  1111.97  166.541  1079.73  139.047  131.880   9.9441  130.081   8.4173 1.799026 13.02826 
1 1 1    1    9   22 o  158.059   6.0327  1565.44  118.121  1729.58  193.069  1467.25  149.329  164.475   9.2435  151.643   7.7543 12.83156 12.06531 
1 1 1    1    9   23 o  215.717   5.1154  2904.40  137.860  3328.51  220.253  2631.22  176.768  228.325   7.5961  203.109   6.8532 25.21587 10.23073 
1 1 1    1    9   24 o  193.348   5.3814  2397.00  131.103  2318.28  196.269  2460.43  176.171  190.387   8.1178  196.308   7.0667 -5.921677 10.76274 
1 1 1    1    9   25 o  301.232   5.2888  5556.69  196.817  6891.36  328.254  4807.55  245.926  328.162   7.8767  274.302   7.0599 53.85989 10.57753 
1 1 1    1    9   26 o  152.937   6.5016  1536.55  120.851  1376.95  196.328  1633.92  153.346  146.106   10.581  159.769   7.5580 -13.66251 13.00327 
1 1 1    1    9   27 o   47.293   13.091   99.597  115.890 -35.1479  210.715  158.030  138.761   43.941   19.371   50.645   17.614 -6.704159 26.18158 
1 1 1    1    9   28 f  130.440   8.1144  1110.06  129.276  1120.41  214.504  1104.16  162.002  130.403   12.953  130.477   9.7771 -0.7339478E-01 16.22871 
1 1 1    1    9   29 f  103.316   11.974  856.321  131.076  490.286  228.062  1036.87  160.174   80.753   21.752  125.879   10.020 -45.12684 23.94867 
1 1 1    1    9   30 o   63.072   15.119  302.737  159.230   89.825  260.792  429.282  201.056   51.635   22.162   74.510   20.572 -22.87505 30.23831 
1 1 1    1    9   31 o   79.062   12.460  543.417  134.917  187.942  219.162  760.336  171.202   53.326   21.342  104.798   12.864 -51.47203 24.91954 
1 1 1    1    9   32 o   47.176   18.136  158.139  152.898   0.0000   0.0000  158.139  152.898  ?   ?    47.176   18.136      ?      ? 
1 1 1    1   11    0 o  775.986   6.2322 38245.14  613.969 37641.75  855.799 38885.08  881.329  769.686   8.7555  782.287   8.8714 -12.60126 12.46440 
1 1 1    1   11    1 o  182.446   2.9005  2117.78   67.036  2048.64   97.335  2180.16   92.458  179.607   4.2675  185.285   3.9294 -5.678162 5.800972 
1 1 1    1   11    2 o  916.969   7.2738 53359.87  846.053 55015.26  1232.60 51885.13  1163.40  930.384   10.432  903.553   10.139 26.83130 14.54763 
1 1 1    1   11    3 o  745.622   7.3582 35593.44  663.118 34477.92  1117.08 36200.42  824.009  736.423   11.945  754.820   8.5963 -18.39703 14.71643 
1 1 1    1   11    4 o  1045.55   8.2446 69489.96  1094.59 70014.52  1560.31 68981.65  1535.96  1049.43   11.708  1041.67   11.611 7.759033 16.48911 
1 1 1    1   11    5 o  443.219   3.9651 12477.56  223.170 12391.18  316.328 12563.15  314.897  441.691   5.6395  444.747   5.5754 -3.055878 7.930274 
1 1 1    1   11    6 o  410.562   3.7669 10703.96  196.338 10773.19  281.547 10638.43  273.938  411.853   5.3831  409.271   5.2706 2.581787 7.533745 
1 1 1    1   11    7 o  876.127   9.8725 48783.41  1098.43   0.0000   0.0000 48783.41  1098.43  ?   ?   876.127   9.8725      ?      ? 
1 1 1    1   11    8 f  258.682   3.1410  4250.26  103.137  4089.32  145.400  4413.25  146.319  253.752   4.5121  263.612   4.3708 -9.860153 6.281913 
1 1 1    1   11    9 o  624.804   5.1711 24797.34  410.269 24536.56  575.940 25066.00  584.573  621.470   7.2976  628.138   7.3284 -6.667664 10.34213 
1 1 1    1   11   10 o  158.387   3.1639  1595.47   63.547  1528.97   90.989  1658.81   88.791  155.159   4.6178  161.615   4.3262 -6.455902 6.327712 
1 1 1    1   11   11 o   55.942   5.7007  197.658   40.376  216.754   59.887  181.745   54.669   58.404   8.0744   53.480   8.0496 4.924007 11.40143 
1 1 1    1   11   12 o  289.248   3.1439  5302.26  115.262  5493.88  169.391  5137.04  157.291  294.102   4.5354  284.394   4.3552 9.708221 6.287874 
1 1 1    1   11   13 o  531.604   4.5441 17954.71  306.712 17621.18  428.715 18304.42  438.982  526.550   6.4114  536.658   6.4413 -10.10870 9.088210 
1 1 1    1   11   14 o  446.105   4.0014 12648.46  226.654 12730.44  323.741 12569.66  317.428  447.519   5.6965  444.691   5.6209 2.828552 8.002820 
1 1 1    1   11   15 o  191.813   2.9886  2326.46   72.207  2425.30  110.298  2252.32   95.520  195.353   4.4460  188.273   3.9951 7.079926 5.977271 
1 1 1    1   11   16 o  339.929   5.0960  7342.60  219.527  7551.49  322.811  7162.89  299.424  344.398   7.3809  335.461   7.0286 8.936584 10.19209 
1 1 1    1   11   17 o  151.878   5.9516  1479.99  113.792  1383.86  169.156  1559.44  153.792  147.299   9.0430  156.458   7.7403 -9.159241 11.90327 
1 1 1    1   11   18 f  236.476   4.9479  3573.25  147.579  3452.63  219.854  3672.18  199.102  232.785   7.4371  240.167   6.5281 -7.382050 9.895732 
1 1 1    1   11   19 o  301.147   5.0830  5778.53  193.496  5786.84  287.865  5771.68  261.343  301.292   7.5236  301.001   6.8370 0.2913513 10.16604 
1 1 1    1   11   20 o  360.477   5.2974  8293.37  241.821  8213.28  354.619  8362.99  330.614  358.785   7.7831  362.168   7.1884 -3.383606 10.59478 
1 1 1    1   11   21 o  166.030   5.8092  1721.18  119.578  1942.82  195.620  1588.96  151.094  174.287   8.8383  157.773   7.5411 16.51378 11.61830 
1 1 1    1   11   22 o  290.686   5.1251  5414.13  187.945  5216.85  279.428  5577.11  253.979  285.728   7.7009  295.643   6.7648 -9.914551 10.25012 
1 1 1    1   11   23 o   83.998   12.491  568.459  132.192  173.277  224.287  778.808  163.635   58.140   22.057  109.855   11.729 -51.71518 24.98198 
1 1 1    1   11   24 o   43.279   12.615   43.509  113.545 -53.3584  189.095   98.128  141.992   40.941   18.184   45.617   17.492 -4.676090 25.23099 
1 1 1    1   11   25 o  265.779   5.3260  4499.89  178.863  4769.99  269.466  4287.16  239.142  272.790   7.7785  258.768   7.2773 14.02246 10.65195 
1 1 1    1   11   26 o   36.632   17.395 -239.4418  219.002 -239.4418  219.002   0.0000   0.0000   36.632   17.395  ?   ?       ?      ? 
1 1 1    1   11   27 o  203.308   6.0211  2675.15  151.920  2665.36  241.519  2681.56  195.423  202.600   9.3872  204.017   7.5428 -1.417038 12.04211 
1 1 1    1   11   28 o   46.772   12.370   70.588  126.852 -324.9014  224.364  256.407  153.791   33.956   16.495   59.588   18.439 -25.63273 24.74056 
1 1 1    1   11   29 o  243.738   9.1706  3916.07  283.856   0.0000   0.0000  3916.07  283.856  ?   ?   243.738   9.1706      ?      ? 
1 1 1    1   13    0 o  398.978   5.2896 10110.48  268.011 10110.48  268.011   0.0000   0.0000  398.978   5.2896  ?   ?       ?      ? 
1 1 1    1   13    1 o  392.544   3.6841  9785.96  183.611  9831.34  262.707  9742.62  256.726  393.432   5.2580  391.655   5.1617 1.776947 7.368150 
1 1 1    1   13    2 o  803.401   6.4510 41000.20  657.908 41675.08  946.472 40369.23  915.164  809.788   9.2036  797.013   9.0418 12.77570 12.90198 
1 1 1    1   13    3 o  230.383   3.1188  3373.48   91.171  3238.06  129.570  3506.28  128.311  225.798   4.5186  234.967   4.3001 -9.168243 6.237689 
1 1 1    1   13    4 o  569.437   4.7884 20589.85  346.122 20918.69  498.178 20282.99  481.243  573.827   6.8364  565.046   6.7066 8.780884 9.576773 
1 1 1    1   13    5 o  473.186   4.1640 14223.27  250.210 14110.21  354.067 14336.05  353.635  471.306   5.9157  475.065   5.8617 -3.758606 8.327962 
1 1 1    1   13    6 o  561.223   4.7440 19982.57  337.721 20582.40  492.004 19448.14  464.408  569.171   6.8069  553.275   6.6097 15.89575 9.487975 
1 1 1    1   13    7 o  449.711   4.0140 12841.21  229.181 12515.42  319.901 13184.74  328.493  443.854   5.6754  455.568   5.6780 -11.71381 8.028071 
1 1 1    1   13    8 o  124.879   3.6413  990.358   57.640  996.529   84.222  984.921   79.054  125.243   5.2954  124.515   4.9995 0.7278671 7.282567 
1 1 1    1   13    9 o  642.105   5.3013 26194.10  431.960 26805.22  625.494 25636.91  597.252  649.247   7.5864  634.963   7.4068 14.28418 10.60256 
1 1 1    1   13   10 o  378.874   3.6007  9119.59  173.165  9215.16  249.275  9030.46  240.735  380.788   5.1549  376.961   5.0288 3.827362 7.201497 
1 1 1    1   13   11 o  311.299   3.2509  6159.64  128.484  6000.86  181.675  6318.52  181.732  307.281   4.6557  315.317   4.5384 -8.035309 6.501740 
1 1 1    1   13   12 o  337.279   3.3766  7223.85  144.391  7347.90  211.085  7114.77  197.946  339.989   4.8889  334.569   4.6589 5.419678 6.753288 
1 1 1    1   13   13 o  124.470   3.3134  974.614   51.980  1066.20   79.657  906.692   68.598  129.505   4.8435  119.435   4.5228 10.07033 6.626829 
1 1 1    1   13   14 o  194.580   2.9772  2402.47   73.164  2443.28  109.768  2369.84   98.143  196.055   4.4088  193.105   4.0021 2.950577 5.954366 
1 1 1    1   13   15 o  200.199   2.9585  2553.17   75.017  2454.47  108.817  2642.56  103.558  196.494   4.3609  203.903   3.9993 -7.409042 5.917042 
1 1 1    1   13   16 o  434.644   3.9895 12021.41  220.181 12022.66  313.878 12020.20  308.947  434.659   5.6864  434.629   5.5974 0.2947998E-01 7.979081 
1 1 1    1   13   17 o  154.841   6.1302  1516.71  119.659  1646.54  183.061  1419.86  158.115  160.540   8.9792  149.142   8.3482 11.39795 12.26043 
1 1 1    1   13   18 o  130.281   7.1843  1069.69  117.393  1197.96  184.338  982.181  152.260  136.691   10.619  123.871   9.6791 12.82032 14.36856 
1 1 1    1   13   19 o   76.880   12.123  403.223  112.647  383.903  183.713  414.863  142.600   74.991   19.206   78.769   14.799 -3.778000 24.24655 
1 1 1    1   13   20 o  177.389   6.1654  2066.98  133.622  1798.81  212.445  2242.52  171.876  167.390   9.9940  187.389   7.2226 -19.99863 12.33071 
1 1 1    1   13   21 o  338.435   5.5913  7272.55  238.087  7727.70  366.581  6940.48  313.116  347.388   8.3095  329.481   7.4834 17.90710 11.18253 
1 1 1    1   13   22 o  204.542   5.9091  2683.90  151.426  2668.69  233.694  2694.91  198.807  203.882   9.0259  205.202   7.6291 -1.321045 11.81822 
1 1 1    1   13   23 o  105.171   10.266  757.162  128.770  589.690  192.572  892.609  173.184   93.021   16.925  117.320   11.624 -24.29919 20.53246 
1 1 1    1   13   24 o   58.381   14.383  209.637  127.311  262.452  209.983  178.938  160.090   63.078   21.683   53.685   18.904 9.392551 28.76644 
1 1 1    1   13   25 o   80.247   12.204  432.514  119.539  594.752  191.292  328.568  153.117   92.381   16.929   68.113   17.582 24.26801 24.40765 
1 1 1    1   13   26 o   71.550   17.572  370.343  158.508   0.0000   0.0000  370.343  158.508  ?   ?    71.550   17.572      ?      ? 
1 1 1    1   15    0 o  520.570   4.4864 17230.69  296.516 17355.11  424.676 17112.33  414.196  522.396   6.4015  518.743   6.2875 3.652405 8.972795 
1 1 1    1   15    1 o   49.209   9.1543  157.370   57.440  182.061   89.174  139.861   75.093   52.371   13.364   46.048   12.514 6.323418 18.30869 
1 1 1    1   15    2 o  280.926   3.2696  5009.31  116.404  5105.85  170.897  4925.75  158.987  283.442   4.7478  278.411   4.4967 5.030792 6.539289 
1 1 1    1   15    3 o   53.997   8.4416  190.230   55.914  219.673   86.231  168.870   73.446   57.567   12.176   50.427   11.696 7.140068 16.88328 
1 1 1    1   15    4 o  307.889   3.3123  6023.03  129.418  6074.88  186.883  5975.25  179.395  309.157   4.7601  306.621   4.6071 2.536102 6.624506 
1 1 1    1   15    5 o  455.817   4.0726 13212.99  235.727 13169.25  335.075 13255.85  331.688  455.065   5.7982  456.568   5.7207 -1.502991 8.145235 
1 1 1    1   15    6 o  564.689   4.7809 20289.00  342.827 20038.67  481.983 20545.34  487.728  561.164   6.7634  568.215   6.7591 -7.050903 9.561834 
1 1 1    1   15    7 o  250.503   3.2219  3989.51  102.390  3967.67  147.991  4009.57  141.809  249.839   4.6644  251.167   4.4459 -1.328094 6.443861 
1 1 1    1   15    8 o  517.105   4.4728 17013.75  293.696 17044.41  418.474 16983.99  412.292  517.557   6.3670  516.653   6.2839 0.9041138 8.945699 
1 1 1    1   15    9 o  172.719   3.3076  1894.06   72.256  1922.96  107.489  1870.24   97.596  173.911   4.8670  171.528   4.4804 2.383560 6.615279 
1 1 1    1   15   10 o  259.180   3.1352  4271.01  103.128  4248.20  148.271  4292.38  143.535  258.504   4.5166  259.856   4.3496 -1.352081 6.270456 
1 1 1    1   15   11 o  149.392   3.4332  1417.91   64.809  1432.33   96.820  1406.20   87.235  150.069   5.0804  148.715   4.6191 1.354187 6.866360 
1 1 1    1   15   12 o  236.351   3.0946  3549.14   92.789  3605.17  134.713  3498.55  127.993  238.119   4.4549  234.583   4.2965 3.536224 6.189151 
1 1 1    1   15   13 o  324.667   3.3543  6701.04  138.245  6815.90  198.805  6593.50  192.371  327.355   4.7822  321.979   4.7047 5.376343 6.708518 
1 1 1    1   15   14 o  231.112   3.1348  3398.75   91.945  3264.67  130.268  3531.86  129.794  226.559   4.5277  235.665   4.3369 -9.105103 6.269698 
1 1 1    1   15   15 o  224.248   3.1245  3203.95   88.815  3087.57  128.046  3311.85  123.295  220.303   4.5769  228.193   4.2547 -7.890533 6.248971 
1 1 1    1   15   16 o   61.683   6.1010  245.002   45.790  237.765   76.003  249.126   57.371   60.894   9.8282   62.472   7.2316 -1.577450 12.20205 
1 1 1    1   15   17 o   91.206   4.0996  534.243   45.817  514.281   74.678  546.292   58.019   89.783   6.5497   92.630   4.9322 -2.847313 8.199108 
1 1 1    1   15   18 o  299.644   6.0109  5839.00  225.162  4996.03  331.936  6557.47  306.444  279.025   9.3677  320.263   7.5347 -41.23776 12.02189 
1 1 1    1   15   19 o  334.680   5.7181  7166.80  241.600  7241.85  362.649  7106.91  323.962  336.103   8.4964  333.256   7.6549 2.847260 11.43617 
1 1 1    1   15   20 o   72.107   13.565  338.982  119.481  429.233  214.536  298.403  143.855   78.294   21.100   65.921   17.055 12.37327 27.13061 
1 1 1    1   15   21 f  137.214   7.8132  1213.45  132.817  1256.57  214.153  1186.51  169.314  138.882   12.142  135.546   9.8362 3.335815 15.62641 
1 1 1    1   15   22 o  263.484   5.4618  4472.65  181.483  4391.07  271.771  4538.31  243.811  261.103   8.1962  265.866   7.2212 -4.763672 10.92358 
1 1 1    1   15   23 o   31.129   14.689 -150.1580  151.618   0.0000   0.0000 -150.1580  151.618  ?   ?    31.129   14.689      ?      ? 
1 1 1    1   17    0 o  272.535   3.3662  4731.97  116.247  4556.31  168.099  4892.98  160.932  267.663   4.9454  277.408   4.5682 -9.744995 6.732399 
1 1 1    1   17    1 o  258.515   3.2866  4248.38  107.640  4264.27  157.913  4234.58  147.112  258.954   4.8019  258.075   4.4887 0.8786926 6.573227 
1 1 1    1   17    2 o  294.563   3.3719  5508.27  125.852  5651.46  185.220  5385.46  171.531  298.102   4.8927  291.025   4.6412 7.076996 6.743832 
1 1 1    1   17    3 o   68.348   7.3436  298.626   62.698  299.518   97.963  298.007   81.599   68.391   11.279   68.306   9.4069 0.8496857E-01 14.68726 
1 1 1    1   17    4 o  100.971   5.2618  647.161   67.149  675.800  100.820  624.329   90.021  102.956   7.7111   98.986   7.1613 3.970802 10.52353 
1 1 1    1   17    5 o  101.710   5.2001  661.216   66.461  646.051  100.979  672.807   88.276  100.648   7.9003  102.771   6.7638 -2.123085 10.40023 
1 1 1    1   17    6 o  204.245   3.4918  2660.62   90.142  2572.36  132.835  2735.95  122.724  201.077   5.2020  207.413   4.6593 -6.335556 6.983532 
1 1 1    1   17    7 o  337.619   3.5278  7233.03  150.805  7480.38  223.470  7026.20  204.350  342.887   5.1321  332.351   4.8417 10.53561 7.055520 
1 1 1    1   17    8 o  336.224   3.5364  7188.82  150.827  7267.34  219.089  7118.08  207.950  337.954   5.1049  334.494   4.8955 3.460205 7.072864 
1 1 1    1   17    9 o  145.463   3.8044  1339.30   70.023  1434.66  104.616  1261.91   94.248  150.120   5.4876  140.806   5.2708 9.314056 7.608875 
1 1 1    1   17   10 o  199.273   3.3283  2528.10   83.986  2505.67  123.228  2547.56  114.771  198.430   4.8902  200.115   4.5162 -1.684296 6.656583 
1 1 1    1   17   11 o   92.319   5.3348  545.374   62.200  532.650   92.346  555.940   84.152   91.301   7.9645   93.336   7.0996 -2.035004 10.66951 
1 1 1    1   17   12 o  260.029   3.3976  4308.30  112.001  4220.35  162.286  4388.29  154.768  257.471   4.9634  262.587   4.6412 -5.115906 6.795254 
1 1 1    1   17   13 o   30.541   9.0964  -7.5147   61.574   49.150   93.762 -50.4830   81.648   35.772   14.073   25.309   11.529 10.46239 18.19276 
1 1 1    1   17   14 o  360.247   5.5900  8271.71  255.736  8271.71  255.736   0.0000   0.0000  360.247   5.5900  ?   ?       ?      ? 
1 1 1    1   17   15 o  402.076   3.9410 10309.60  201.171 10175.63  286.804 10439.35  282.247  399.481   5.6534  404.672   5.4922 -5.191223 7.881996 
1 1 1    1   17   16 o  146.019   3.7444  1361.19   68.805  1344.08  104.213  1374.42   91.610  145.164   5.6531  146.874   4.9116 -1.710312 7.488738 
1 1 1    1   17   17 o  148.443   3.6689  1391.51   68.060  1479.64  107.557  1332.66   87.895  152.278   5.5619  144.609   4.7862 7.668991 7.337733 
1 1 1    1   17   18 o   18.035   6.2316 -76.1190   34.981 -79.6541   76.100 -75.1720   39.389   22.268   10.477   13.802   6.7501 8.465494 12.46315 
1 1 1    1   17   19 o  118.910   9.1363  930.397  130.510  932.402  223.773  929.364  160.664  118.311   14.894  119.509   10.586 -1.197975 18.27267 
1 1 1    1   19    0 o  238.826   3.6398  3641.71  109.762  3532.44  162.807  3732.76  148.616  235.492   5.4440  242.159   4.8327 -6.666199 7.279554 
1 1 1    1   19    1 o  287.843   3.5204  5274.43  128.612  5287.60  185.138  5262.15  178.798  288.178   5.0589  287.508   4.8971 0.6697083 7.040869 
1 1 1    1   19    2 o  389.935   3.8600  9680.27  190.936  9796.59  277.240  9575.31  263.343  392.137   5.5673  387.733   5.3482 4.404144 7.719977 
1 1 1    1   19    3 o  168.266   4.1649  1806.20   88.663  1785.79  130.786  1823.56  120.609  167.357   6.1537  169.176   5.6139 -1.819275 8.329733 
1 1 1    1   19    4 o  284.511   5.1493  5154.98  186.046  5154.98  186.046   0.0000   0.0000  284.511   5.1493  ?   ?       ?      ? 
1 1 1    1   19    5 o  267.547   3.5801  4560.23  121.091  4538.79  179.768  4578.04  163.836  266.934   5.3031  268.161   4.8110 -1.227264 7.160234 
1 1 1    1   19    6 o  380.568   5.5519  9229.29  268.317  9229.29  268.317   0.0000   0.0000  380.568   5.5519  ?   ?       ?      ? 
1 1 1    1   19    8 o   96.157   12.482  598.764  152.421   0.0000   0.0000  598.764  152.421  ?   ?    96.157   12.482      ?      ? 
1 1 1    1   19    9 o  293.249   3.7045  5477.06  137.537  5518.39  202.915  5441.94  187.063  294.232   5.4306  292.266   5.0400 1.966888 7.408991 
1 1 1    1   19   10 o  192.702   3.9455  2370.96   96.274  2324.90  140.838  2411.37  131.904  190.908   5.8092  194.495   5.3404 -3.587173 7.890933 
1 1 1    1   19   11 o  130.094   4.8410  1087.82   79.417  1022.89  117.321  1142.73  107.895  126.430   7.3071  133.758   6.3519 -7.328148 9.681968 
1 1 1    1   19   12 o  136.281   4.5742  1198.15   78.394  1077.13  115.238  1302.40  106.956  129.740   6.9943  142.823   5.8970 -13.08287 9.148452 
1 1 1    1   19   13 o  120.624   4.6998  920.376   71.442  1017.73  109.616  848.484   94.197  126.077   6.8464  115.172   6.4404 10.90443 9.399585 
1 1 1    1   19   14 o  124.980   7.7266  1018.97   90.098  1009.64  222.653  1020.79   98.525  123.642   14.180  126.318   6.1419 -2.676262 15.45327 
1 1 1    1   19   15 o  144.665   3.9781  1334.95   72.938  1395.01  107.319  1283.40   99.432  147.662   5.7231  141.668   5.5269 5.994278 7.956135 
1 1 1    1   19   16 f  222.214   4.0502  3160.65  114.242  3042.28  158.943  3287.17  164.314  217.908   5.7437  226.520   5.7120 -8.611710 8.100466 
1 1 1    1   19   17 o  106.135   7.3809  728.022   99.482  728.022   99.482   0.0000   0.0000  106.135   7.3809  ?   ?       ?      ? 
1 1 1    1   21    0 o   84.065   8.2163  454.458   87.260  508.752  131.677  411.945  116.517   88.480   11.719   79.649   11.519 8.831093 16.43257 
1 1 1    1   21    1 o   91.684   7.7778  554.685   88.549  485.491  134.771  607.244  117.460   86.328   12.293   97.039   9.5316 -10.71060 15.55553 
1 1 1    1   21    2 o  131.183   5.5025  1117.61   90.528  973.324  132.730  1243.11  123.790  123.039   8.4947  139.327   6.9963 -16.28883 11.00496 
1 1 1    1   21    3 o  105.767   6.4684  717.190   86.557  763.187  129.373  679.915  116.462  108.784   9.3648  102.751   8.9253 6.033463 12.93679 
1 1 1    1   21    4 o  232.135   3.9175  3421.48  115.122  3695.21  171.281  3195.92  155.478  240.539   5.6072  223.730   5.4723 16.80913 7.834936 
1 1 1    1   21    5 o  210.625   4.0605  2837.58  108.087  2803.83  160.398  2865.66  146.290  209.408   6.0315  211.842   5.4378 -2.433823 8.120922 
1 1 1    1   21    6 o  311.441   3.7967  6184.62  149.685  6313.33  221.634  6076.67  202.969  314.354   5.5519  308.528   5.1803 5.825500 7.593365 
1 1 1    1   21    7 o  200.873   4.1155  2579.37  104.039  2590.35  158.221  2571.01  138.090  201.153   6.1939  200.592   5.4209 0.5608521 8.231033 
1 1 1    1   21    8 o  292.485   3.6681  5460.73  135.880  5534.85  200.207  5397.42  185.018  294.263   5.3576  290.707   5.0116 3.555634 7.336209 
1 1 1    1   21    9 o   72.178   9.0538  358.147   79.302  292.402  118.191  411.980  106.951   64.932   14.678   79.424   10.604 -14.49204 18.10767 
1 1 1    1   21   10 o  210.012   3.8156  2824.60  101.364  2810.14  149.896  2836.79  137.592  209.438   5.6358  210.585   5.1451 -1.146240 7.631109 
1 1 1    1   21   11 o  128.053   5.2114  1055.97   84.614  1116.25  123.935  1003.33  115.804  131.450   7.4243  124.656   7.3153 6.794739 10.42276 
1 1 1    1   21   12 o  126.616   9.4711  1050.63  152.289  1050.63  152.289   0.0000   0.0000  126.616   9.4711  ?   ?       ?      ? 
1 1 1    1   21   13 o  125.130   7.9532  1029.28  124.666  1295.89  188.165  820.681  166.437  139.694   10.607  110.566   11.854 29.12720 15.90636 
1 1 1    1   21   14 o  156.421   7.4707  1593.17  148.400  1593.17  148.400   0.0000   0.0000  156.421   7.4707  ?   ?       ?      ? 
1 1 1    1   23    0 o   23.056   11.447 -562.8870  105.892 -1142.9460  186.677 -287.6946  128.580  ?   ?    23.056   11.447      ?      ? 
1 1 1    1   23    1 o   38.611   16.567 -414.9445  114.688 -1130.6440  186.053   23.670  145.651  ?   ?    38.611   16.567      ?      ? 
1 1 1    1   23    2 o  141.083   8.0668  1299.08  144.528   0.0000   0.0000  1299.08  144.528  ?   ?   141.083   8.0668      ?      ? 
1 1 1    1   23    3 o  211.074   6.2395  3246.55  147.085  1679.14  221.592  4481.01  196.653  158.475   11.011  263.673   5.8730 -105.1981 12.47909 
1 1 1    1   23    4 o  348.358   6.7440  7862.92  298.345  7862.92  298.345   0.0000   0.0000  348.358   6.7440  ?   ?       ?      ? 
1 1 1    1   23    5 o   59.098   12.819  213.033  116.059  458.792  186.546   57.837  148.242   77.295   19.112   40.902   17.089 36.39299 25.63797 
1 1 1    1   23    6 o   92.917   9.0485  600.311  104.982  524.919  155.757  663.074  142.113   86.726   14.142   99.107   11.292 -12.38035 18.09698 
1 1 1    1   23    7 o   75.031   9.7776  406.212   89.285  278.509  125.791  535.870  126.750   61.098   16.017   88.963   11.219 -27.86501 19.55522 
1 1 1    1   23    8 o   95.290   10.111  663.200  114.680  565.271  177.486  733.386  150.257   86.852   16.698  103.728   11.407 -16.87657 20.22255 
1 1 1    1   23    9 o  111.061   8.3058  838.076  116.192  937.259  178.778  765.544  152.885  116.418   12.093  105.704   11.389 10.71403 16.61156 
1 1 1    1   23   10 o   43.706   12.306   90.778  107.973  203.594  158.498  -6.9110  147.489   51.653   18.736   35.759   15.959 15.89405 24.61145 
1 1 1    2    0    2 o  168.053   2.0908  1794.98   63.060  1794.98   63.060  1794.98   63.060  168.053   2.9568  168.053   2.9568 -0.000000 0.000000 
1 1 1    2    0    3 o  377.645   3.3306  9060.56  225.815  9060.56  225.815  9060.56  225.815  377.645   4.7102  377.645   4.7102 -0.000000 0.000000 
1 1 1    2    0    6 o  704.225   5.6660 31511.88  716.394 31511.88  716.394 31511.88  716.394  704.225   8.0129  704.225   8.0129 -0.000000 0.000000 
1 1 1    2    0    7 o  489.979   4.1221 15253.50  362.619 15253.50  362.619 15253.50  362.619  489.979   5.8295  489.979   5.8295 -0.000000 0.000000 
1 1 1    2    0    8 o   42.267   3.9232  119.188   28.358  119.188   28.358  119.188   28.358   42.267   5.5482   42.267   5.5482 -0.000000 0.000000 
1 1 1    2    0    9 o  527.838   4.3985 17702.83  416.837 17702.83  416.837 17702.83  416.837  527.838   6.2205  527.838   6.2205 -0.000000 0.000000 
1 1 1    2    0   10 f  376.340   3.3772  8998.72  228.174  8998.72  228.174  8998.72  228.174  376.340   4.7760  376.340   4.7760 -0.000000 0.000000 
1 1 1    2    0   11 o  222.601   2.5497  3149.02  101.871  3149.02  101.871  3149.02  101.871  222.601   3.6058  222.601   3.6058 -0.000000 0.000000 
1 1 1    2    0   12 o  232.451   2.5944  3433.74  108.249  3433.74  108.249  3433.74  108.249  232.451   3.6691  232.451   3.6691 -0.000000 0.000000 
1 1 1    2    0   13 o  353.544   3.2583  7941.58  206.805  7941.58  206.805  7941.58  206.805  353.544   4.6079  353.544   4.6079 -0.000000 0.000000 
1 1 1    2    0   14 o  1104.85   8.6720 77599.91  1720.27 77599.91  1720.27 77599.91  1720.27  1104.85   12.264  1104.85   12.264 -0.000000 0.000000 
1 1 1    2    0   15 o  660.008   7.5925 27696.43  899.428 27696.43  899.428 27696.43  899.428  660.008   10.737  660.008   10.737 -0.000000 0.000000 
1 1 1    2    0   17 o  738.634   5.9803 34667.32  793.085 34667.32  793.085 34667.32  793.085  738.634   8.4575  738.634   8.4575 -0.000000 0.000000 
1 1 1    2    0   18 o  487.635   4.2197 15108.04  369.424 15108.04  369.424 15108.04  369.424  487.635   5.9676  487.635   5.9676 -0.000000 0.000000 
1 1 1    2    0   19 o  188.108   3.1190  2250.75  105.239  2250.75  105.239  2250.75  105.239  188.108   4.4109  188.108   4.4109 -0.000000 0.000000 
1 1 1    2    0   20 o   33.561   10.347  102.594   64.764  102.594   64.764  102.594   64.764   33.561   14.634   33.561   14.634 -0.000000 0.000000 
1 1 1    2    0   21 o   55.682   7.4121  216.878   66.447  216.878   66.447  216.878   66.447   55.682   10.482   55.682   10.482 -0.000000 0.000000 
1 1 1    2    0   22 o  414.768   3.8048 10936.41  283.311 10936.41  283.311 10936.41  283.311  414.768   5.3808  414.768   5.3808 -0.000000 0.000000 
1 1 1    2    0   23 o   81.470   5.4085  433.139   77.531  433.139   77.531  433.139   77.531   81.470   7.6487   81.470   7.6487 -0.000000 0.000000 
1 1 1    2    0   24 o  114.000   4.3579  833.420   88.628  833.420   88.628  833.420   88.628  114.000   6.1631  114.000   6.1631 -0.000000 0.000000 
1 1 1    2    0   25 o  372.583   3.6264  8828.28  242.550  8828.28  242.550  8828.28  242.550  372.583   5.1284  372.583   5.1284 -0.000000 0.000000 
1 1 1    2    0   26 o  291.655   3.4099  5411.37  178.497  5411.37  178.497  5411.37  178.497  291.655   4.8223  291.655   4.8223 -0.000000 0.000000 
1 1 1    2    0   27 o  103.685   5.6272  696.902  103.365  696.902  103.365  696.902  103.365  103.685   7.9580  103.685   7.9580 -0.000000 0.000000 
1 1 1    2    0   29 o  140.972   6.8102  1287.77  170.570  1287.77  170.570  1287.77  170.570  140.972   9.6310  140.972   9.6310 -0.000000 0.000000 
1 1 1    2    0   30 o  228.073   5.1009  3328.70  208.463  3328.70  208.463  3328.70  208.463  228.073   7.2138  228.073   7.2138 -0.000000 0.000000 
1 1 1    2    0   31 o   55.391   16.471  288.606  164.925  288.606  164.925  288.606  164.925   55.391   23.293   55.391   23.293 -0.000000 0.000000 
1 1 1    2    0   32 o   29.006   13.511 -15.0287  179.804 -15.0287  179.804 -15.0287  179.804   29.006   19.107   29.006   19.107 -0.000000 0.000000 
1 1 1    2    0   33 o  ?   ?  -1303.0730  166.158 -1303.0730  166.158 -1303.0730  166.158  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    2    0   34 o   17.791   9.0144 -194.7300  134.656 -194.7300  134.656 -194.7300  134.656   17.791   12.748   17.791   12.748 -0.000000 0.000000 
1 1 1    2    2    0 o  532.373   6.2244 18001.48  420.812 18001.48  420.812   0.0000   0.0000  532.373   6.2244  ?   ?       ?      ? 
1 1 1    2    2    3 o  519.487   6.1120 17136.56  403.069 16815.55  560.845 17479.48  579.672  514.460   8.5845  524.513   8.7026 -10.05353 12.22408 
1 1 1    2    2    6 o  619.304   5.0608 24288.50  397.103 25473.12  586.232 23284.05  539.812  633.207   7.2903  605.401   7.0214 27.80652 10.12168 
1 1 1    2    2    7 o  209.323   2.3920  2781.09   63.569  2859.39   91.089  2706.75   88.757  212.194   3.3803  206.453   3.3854 5.741119 4.784035 
1 1 1    2    2    8 o  614.826   5.0244 23932.94  391.288 25169.07  579.109 22894.53  530.776  629.374   7.2456  600.278   6.9627 29.09570 10.04880 
1 1 1    2    2    9 o  195.949   2.3985  2437.04   59.667  2507.63   85.517  2370.08   83.291  198.712   3.3888  193.186   3.3950 5.526932 4.796923 
1 1 1    2    2   10 o  440.199   3.7980 12306.93  212.299 12194.73  298.006 12422.56  302.517  438.162   5.3556  442.236   5.3866 -4.073120 7.595972 
1 1 1    2    2   11 o  147.274   2.3612  1377.44   44.157  1358.26   62.426  1396.65   62.471  146.248   3.3612  148.300   3.3171 -2.052597 4.722374 
1 1 1    2    2   12 o  257.606   2.7060  4213.93   88.519  4252.43  126.014  4176.43  124.372  258.767   3.8347  256.444   3.8190 2.322571 5.411997 
1 1 1    2    2   13 o  258.469   2.7503  4218.27   89.997  4570.28  133.770  3927.19  121.642  268.263   3.9266  248.675   3.8519 19.58820 5.500500 
1 1 1    2    2   14 o  830.367   6.6184 43820.25  697.914 43748.86  985.483 43892.08  988.522  829.689   9.3531  831.045   9.3666 -1.355896 13.23687 
1 1 1    2    2   15 o  654.597   6.5578 26878.98  506.041 28165.49  913.132 26308.74  607.933  665.665   10.802  643.528   7.4389 22.13708 13.11558 
1 1 1    2    2   16 o  410.476   4.5549 10788.66  226.044 10991.40  281.103 10417.68  380.254  416.002   5.3210  404.950   7.3943 11.05200 9.109774 
1 1 1    2    2   17 o  502.639   5.2802 15908.17  316.118 16458.91  557.716 15647.49  383.708  508.947   8.6291  496.331   6.0877 12.61536 10.56033 
1 1 1    2    2   18 o  548.716   6.5570 19126.43  456.912 19126.43  456.912   0.0000   0.0000  548.716   6.5570  ?   ?       ?      ? 
1 1 1    2    2   19 o  336.030   3.3054  7154.87  140.878  6823.24  193.505  7528.88  205.500  327.764   4.6489  344.295   4.7001 -16.53036 6.610828 
1 1 1    2    2   20 f  474.707   4.8825 14354.70  258.540 14260.51  505.109 14388.13  300.951  473.525   8.3997  475.888   4.9798 -2.363098 9.764927 
1 1 1    2    2   21 o  307.839   3.9460  6037.64  137.727  5995.37  262.225  6053.75  161.848  307.009   6.7258  308.669   4.1289 -1.660889 7.892081 
1 1 1    2    2   22 o  222.093   4.0002  3198.18   98.892  3008.88  191.104  3267.41  115.569  217.431   6.9210  226.755   4.0133 -9.324280 8.000480 
1 1 1    2    2   23 o  193.348   4.2227  2433.99   90.304  2264.96  175.679  2494.69  105.277  188.580   7.3358  198.116   4.1844 -9.535858 8.445318 
1 1 1    2    2   24 o  121.676   5.4758  939.681   70.731  951.393  149.253  936.289   80.323  122.031   9.6311  121.322   5.2134 0.7089157 10.95163 
1 1 1    2    2   25 o  209.676   4.4658  2892.00  101.969  2620.89  201.542  2985.28  118.217  202.678   7.8303  216.673   4.2963 -13.99411 8.931532 
1 1 1    2    2   26 o  137.488   5.5259  1151.76   81.999  1313.99  173.741  1105.27   93.010  143.235   9.5516  131.742   5.5594 11.49347 11.05170 
1 1 1    2    2   27 o  209.371   4.7757  2722.08  112.954  2963.50  221.015  2636.73  131.412  215.256   8.0851  203.486   5.0854 11.77002 9.551469 
1 1 1    2    2   28 o  191.745   5.9760  2432.11  125.811  2202.29  245.272  2514.17  146.561  184.937   10.443  198.554   5.8125 -13.61633 11.95205 
1 1 1    2    2   29 o  138.155   6.3747  1202.47   96.360  1274.87  196.570  1179.57  110.555  140.428   11.023  135.882   6.4068 4.546295 12.74930 
1 1 1    2    2   30 o  194.138   5.4461  2460.16  113.605  2344.55  231.654  2496.76  130.357  190.489   9.5762  197.786   5.1899 -7.297012 10.89211 
1 1 1    2    2   31 o   97.710   10.367  698.204   97.390  563.249  208.430  735.898  110.155   88.680   19.074  106.741   8.1263 -18.06075 20.73313 
1 1 1    2    2   32 o   29.250   10.083 -291.5837  123.310 -413.1771  182.861 -190.1796  166.991   27.210   13.532   31.290   14.951 -4.080084 20.16554 
1 1 1    2    2   33 o   28.411   9.8071 -251.2299  114.844 -270.9248  174.621 -236.2179  152.454   29.268   14.292   27.554   13.433 1.714077 19.61411 
1 1 1    2    2   34 o   34.259   10.882 -44.3883  103.095 -147.4028  147.232   54.710  144.406   29.329   14.020   39.189   16.647 -9.860149 21.76411 
1 1 1    2    4    0 o  332.648   3.0664  7021.01  129.470  6833.77  179.584  7223.67  186.827  328.034   4.3109  337.262   4.3621 -9.227356 6.132860 
1 1 1    2    4    1 o  567.150   4.6677 20407.25  335.892 21014.17  487.536 19858.88  463.428  575.165   6.6748  559.136   6.5266 16.02887 9.335369 
1 1 1    2    4    2 o  659.261   6.5687 27258.10  509.823 26676.49  611.783 28580.00  922.319  648.001   7.4344  670.522   10.832 -22.52155 13.13743 
1 1 1    2    4    3 o  309.660   2.9290  6023.52  114.467  6698.45  174.124  5509.86  151.903  324.769   4.2219  294.551   4.0610 30.21786 5.857962 
1 1 1    2    4    5 o  1110.57   17.454 78603.39  2461.56 78603.39  2461.56   0.0000   0.0000  1110.57   17.454  ?   ?       ?      ? 
1 1 1    2    4    6 o  721.255   8.2164 33086.94  752.527 32866.20  1057.45 33313.44  1071.15  718.821   11.584  723.688   11.655 -4.866577 16.43275 
1 1 1    2    4    7 o  799.070   9.0351 40620.91  916.658 40112.92  1280.93 41154.13  1312.34  793.961   12.704  804.180   12.850 -10.21826 18.07014 
1 1 1    2    4    8 o  555.334   5.7369 19193.78  375.167 20673.20  682.531 18553.27  449.096  570.267   9.4247  540.400   6.5441 29.86768 11.47384 
1 1 1    2    4    9 o  992.718   11.085 62719.43  1396.72 61512.39  1938.24 64023.32  2014.49  982.816   15.529  1002.62   15.822 -19.80310 22.16957 
1 1 1    2    4   10 f  574.055   5.5186 20681.83  343.559 21434.67  707.623 20449.63  392.985  580.704   9.5955  567.407   5.4539 13.29694 11.03717 
1 1 1    2    4   11 o  246.930   3.1398  3819.48   82.858  3970.90  174.452  3775.37   94.157  250.033   5.4942  243.828   3.0408 6.205154 6.279514 
1 1 1    2    4   12 o  340.134   3.7532  7449.00  140.140  7147.59  278.088  7551.61  162.249  335.432   6.5283  344.836   3.7050 -9.404327 7.506383 
1 1 1    2    4   13 o  458.241   4.6295 13294.89  230.661 13424.81  470.301 13253.74  264.681  459.658   8.0568  456.824   4.5624 2.834137 9.258943 
1 1 1    2    4   14 o  749.654   6.9887 35649.77  574.539 35846.89  1155.40 35585.02  662.217  750.858   12.117  748.449   6.9672 2.408325 13.97733 
1 1 1    2    4   15 o  596.247   5.7211 22971.42  382.836 21761.88  731.902 23427.00  449.185  585.173   9.8490  607.321   5.8241 -22.14740 11.44213 
1 1 1    2    4   16 o  1049.25   9.5407 70548.48  1114.36 68923.53  2174.54 71127.20  1297.71  1040.56   16.456  1057.93   9.6593 -17.36865 19.08135 
1 1 1    2    4   17 o  471.509   4.8482 14101.42  249.235 14165.18  505.467 14080.94  286.482  472.157   8.4300  470.862   4.7910 1.295227 9.696338 
1 1 1    2    4   18 o  149.651   4.2565  1349.73   65.120  1547.29  149.143  1303.20   72.384  156.053   7.5258  143.249   3.9790 12.80348 8.512957 
1 1 1    2    4   19 o  128.126   4.3646  1042.73   71.017   0.0000   0.0000  1042.73   71.017  ?   ?   128.126   4.3646      ?      ? 
1 1 1    2    4   20 o  467.646   4.8065 14162.05  251.073 13367.94  483.015 14456.05  293.899  458.327   8.2986  476.964   4.8522 -18.63708 9.613055 
1 1 1    2    4   21 o  228.595   3.9818  3273.45  102.647  3430.32  199.726  3217.14  119.660  232.187   6.7736  225.002   4.1878 7.184952 7.963596 
1 1 1    2    4   22 o   45.745   10.352  128.285   55.237  101.294  145.150  132.855   59.732   46.771   17.744   44.719   10.667 2.052708 20.70386 
1 1 1    2    4   23 o  303.852   4.1253  5884.14  133.550  5857.31  279.296  5892.10  152.060  303.227   7.2530  304.476   3.9326 -1.248688 8.250570 
1 1 1    2    4   24 o  231.173   4.2804  3449.75  104.796  3315.97  219.030  3489.47  119.342  228.055   7.5629  234.290   4.0111 -6.235870 8.560733 
1 1 1    2    4   25 o  138.947   5.7768  1306.20   80.522  1113.61  175.245  1357.75   90.659  131.814   10.469  146.080   4.8870 -14.26656 11.55353 
1 1 1    2    4   26 o  124.121   7.2317  1059.72  103.606  797.361  175.708  1199.56  128.279  111.177   12.445  137.065   7.3698 -25.88741 14.46348 
1 1 1    2    4   27 o   29.468   9.8107 -156.0157   97.578 -550.0074  203.486 -38.3644  111.196   27.643   13.829   31.294   13.919 -3.650711 19.62140 
1 1 1    2    4   28 o   87.616   9.3623  481.611   84.721  552.733  182.241  462.003   95.690   90.384   16.485   84.848   8.8807 5.536133 18.72462 
1 1 1    2    4   29 o  155.154   6.2765  1639.06   97.175  1400.52  212.655  1702.02  109.248  146.957   11.395  163.351   5.2664 -16.39371 12.55297 
1 1 1    2    4   30 o  112.982   8.2898  830.852   95.400  840.097  211.709  828.496  106.865  112.403   14.831  113.561   7.4102 -1.157913 16.57959 
1 1 1    2    4   31 o  247.083   5.1355  3914.07  130.170  3976.41  287.401  3897.99  146.004  247.190   9.1554  246.975   4.6552 0.2151794 10.27096 
1 1 1    2    4   32 o  ?   ?  -1403.4990  130.905 -846.1772  207.367 -1772.7380  168.787  ?   ?   ?   ?       ?      ? 
1 1 1    2    4   33 o  134.224   7.7491  1214.21  124.095  1237.68  215.911  1202.63  151.645  133.736   12.713  134.713   8.8642 -0.9772186 15.49823 
1 1 1    2    4   34 o   90.384   12.538  655.051  136.606  595.757  217.840  693.481  175.374   83.247   20.695   97.520   14.161 -14.27257 25.07603 
1 1 1    2    6    0 o  577.292   4.7531 21070.53  347.262 22384.54  517.816 19996.54  468.139  593.561   6.8696  561.023   6.5708 32.53851 9.506140 
1 1 1    2    6    1 o  219.602   2.5053  3041.13   69.621  2775.92   94.000  3363.40  103.618  209.071   3.5404  230.133   3.5455 -21.06255 5.010523 
1 1 1    2    6    2 o  568.293   4.6901 20507.87  338.357 20901.23  486.550 20139.47  470.855  573.565   6.6799  563.021   6.5854 10.54425 9.380220 
1 1 1    2    6    3 o  448.028   3.8516 12749.81  219.133 12671.58  308.178 12829.81  311.654  446.638   5.4334  449.417   5.4607 -2.779053 7.703257 
1 1 1    2    6    4 o   71.414   2.8637  324.128   25.944  341.070   36.686  307.177   36.695   73.283   3.9421   69.546   4.1548 3.737282 5.727348 
1 1 1    2    6    5 o  247.053   2.6416  3820.18   82.260  4382.73  125.869  3400.77  108.682  262.699   3.7730  231.407   3.6983 31.29233 5.283248 
1 1 1    2    6    6 o  467.120   3.9906 13849.09  236.592 14181.65  341.694 13542.82  327.914  472.500   5.6945  461.739   5.5922 10.76160 7.981284 
1 1 1    2    6    7 o  225.755   2.5452  3222.88   72.814  2990.13   99.363  3492.84  107.012  216.989   3.6059  234.521   3.5931 -17.53242 5.090460 
1 1 1    2    6    8 o  712.937   7.1801 32145.29  606.862 32776.16  1076.52 31851.41  734.735  717.890   11.808  707.985   8.1720 9.904785 14.36025 
1 1 1    2    6    9 o  264.566   3.3793  4336.85  105.978  4155.27  127.358  4745.66  191.094  255.793   3.9207  273.339   5.5051 -17.54596 6.758583 
1 1 1    2    6   10 o  393.304   5.0636  9827.45  252.896  9843.01  359.597  9812.22  355.733  393.611   7.1940  392.996   7.1278 0.6141968 10.12720 
1 1 1    2    6   11 o  618.705   7.2207 24325.06  567.229 23952.79  792.709 24715.68  812.005  613.858   10.169  623.551   10.254 -9.693237 14.44146 
1 1 1    2    6   12 o  903.016   8.4552 51457.40  855.868 52683.47  1671.80 51021.94  996.332  909.960   14.467  896.072   8.7555 13.88782 16.91036 
1 1 1    2    6   13 o  797.258   7.4863 40030.05  656.890 41139.59  1320.98 39665.54  757.142  804.338   12.932  790.178   7.5453 14.16058 14.97257 
1 1 1    2    6   14 o  513.723   5.1522 17014.73  293.902 16250.85  572.485 17288.12  342.479  505.715   8.9142  521.731   5.1690 -16.01587 10.30442 
1 1 1    2    6   15 o  537.932   5.4097 18166.47  311.806 18790.80  653.231 17982.25  354.840  543.767   9.4597  532.097   5.2513 11.67017 10.81948 
1 1 1    2    6   16 o  259.442   3.9541  4235.42  116.861  4365.39  222.871  4186.14  137.240  262.144   6.6948  256.740   4.2093 5.403503 7.908108 
1 1 1    2    6   17 o  279.086   3.7617  4844.77  106.768  5119.51  241.637  4778.11  119.017  283.873   6.7029  274.299   3.4167 9.574402 7.523444 
1 1 1    2    6   18 o  419.673   4.5220 11023.26  200.193 11495.38  429.583 10892.29  226.263  425.239   7.9549  414.106   4.3025 11.13370 9.043926 
1 1 1    2    6   19 o  545.787   5.3612 19313.42  326.530 18185.26  628.643 19730.26  382.121  534.409   9.2630  557.166   5.4006 -22.75635 10.72238 
1 1 1    2    6   20 o  357.409   4.1584  7873.12  153.762  8560.14  342.253  7699.38  172.108  366.718   7.3492  348.100   3.8933 18.61807 8.316735 
1 1 1    2    6   21 o  363.129   4.2870  8130.52  158.924  8827.57  360.033  7961.84  177.113  372.296   7.6151  353.962   3.9402 18.33392 8.574092 
1 1 1    2    6   22 o  295.457   4.0138  5415.43  119.606  5783.42  274.300  5329.04  132.906  301.328   7.1682  289.586   3.6140 11.74197 8.027686 
1 1 1    2    6   23 o  327.164   4.1449  6666.54  139.070  7062.75  311.272  6567.73  155.447  332.878   7.3634  321.449   3.8080 11.42908 8.289744 
1 1 1    2    6   24 o  112.674   6.6966  828.928   62.126  789.989  177.214  834.384   66.336  110.814   12.593  114.534   4.5607 -3.719620 13.39329 
1 1 1    2    6   25 o   68.198   9.6374  273.797   59.636  357.972  160.187  260.253   64.255   72.575   17.569   63.822   7.9280 8.752628 19.27481 
1 1 1    2    6   26 o  284.238   4.5877  5249.30  147.743  4942.48  277.553  5370.60  174.524  278.017   7.8613  290.458   4.7314 -12.44070 9.175367 
1 1 1    2    6   27 o  127.754   7.0103  1129.32   81.985  935.425  198.293  1169.30   90.041  120.048   13.007  135.460   5.2342 -15.41125 14.02059 
1 1 1    2    6   28 o   48.979   12.146  125.897   71.758  173.339  190.476  118.050   77.465   55.451   20.473   42.508   13.076 12.94280 24.29196 
1 1 1    2    6   29 o  157.252   6.3014  1599.40   86.529  1587.47  232.236  1601.32   93.243  156.032   11.720  158.473   4.6333 -2.440903 12.60286 
1 1 1    2    6   30 o   84.645   10.880  591.526   78.793  352.445  196.066  637.574   86.046   69.694   20.669   99.595   6.8033 -29.90079 21.75974 
1 1 1    2    6   31 f   39.268   12.175  -8.1002  117.872 -90.5847  186.116   47.142  152.312   37.374   17.167   41.162   17.269 -3.788319 24.34988 
1 1 1    2    6   32 o   68.859   13.145  385.833  132.885  149.632  206.169  553.699  173.805   50.872   20.580   86.846   16.359 -35.97355 26.28989 
1 1 1    2    6   33 o   38.819   12.233   12.971  116.382 -16.5809  206.404   26.746  140.919   40.552   18.417   37.086   16.105 3.466057 24.46526 
1 1 1    2    8    0 o  826.661   6.5816 43435.11  690.934 43515.46  979.249 43355.45  975.020  827.421   9.3194  825.901   9.2963 1.520691 13.16328 
1 1 1    2    8    1 o  196.774   2.5284  2458.29   63.170  2392.36   88.603  2526.45   90.088  194.092   3.5947  199.457   3.5567 -5.365295 5.056855 
1 1 1    2    8    2 o  507.877   4.2801 16340.04  275.508 17079.71  405.346 15704.93  375.605  518.527   6.1557  497.228   5.9484 21.29926 8.560132 
1 1 1    2    8    3 o  678.620   5.4969 29195.66  472.934 30366.97  693.509 28177.41  646.611  691.307   7.8996  665.933   7.6460 25.37390 10.99384 
1 1 1    2    8    4 o  940.953   7.4397 56282.57  888.918 56763.57  1267.65 55817.22  1246.85  944.903   10.564  937.003   10.478 7.900208 14.87945 
1 1 1    2    8    5 o  461.790   3.9687 13538.69  232.659 13783.79  334.489 13308.96  323.829  465.836   5.6542  457.744   5.5708 8.091644 7.937472 
1 1 1    2    8    6 o  244.265   3.3783  3841.76   99.170  3958.39  122.913  3624.22  167.863  249.660   3.8768  238.869   5.5337 10.79123 6.756587 
1 1 1    2    8    7 o  1208.94   11.630 92783.01  1676.00 93924.68  2936.10 92231.21  2041.23  1213.83   19.047  1204.04   13.350 9.781982 23.25986 
1 1 1    2    8    8 o  527.484   4.4397 17670.95  297.364 17454.90  416.542 17895.49  424.648  524.197   6.2573  530.770   6.3001 -6.573059 8.879447 
1 1 1    2    8    9 o  183.129   2.5747  2126.92   59.816  2188.74   86.986  2071.47   82.388  185.650   3.6896  180.608   3.5921 5.041321 5.149375 
1 1 1    2    8   10 o  990.198   7.8903 62256.58  991.326 60688.76  1367.79 63991.40  1438.80  977.095   11.023  1003.30   11.292 -26.20636 15.78069 
1 1 1    2    8   11 o  194.394   2.7694  2402.67   68.284  2308.24   97.636  2493.08   95.535  190.650   4.0327  198.138   3.7968 -7.488174 5.538831 
1 1 1    2    8   12 o  220.052   6.5984  3075.89  184.392   0.0000   0.0000  3075.89  184.392  ?   ?   220.052   6.5984      ?      ? 
1 1 1    2    8   13 o  287.136   5.0185  5241.23  182.745  5161.13  264.284  5314.63  252.968  285.028   7.3014  289.244   6.8869 -4.215790 10.03691 
1 1 1    2    8   14 o  588.261   7.0415 21973.27  525.766 21311.71  729.561 22688.10  758.367  579.060   9.9211  597.462   9.9952 -18.40210 14.08306 
1 1 1    2    8   15 o  485.531   6.1128 14977.87  376.790 15106.45  540.577 14856.37  525.467  487.553   8.7309  483.509   8.5578 4.044434 12.22558 
1 1 1    2    8   16 o  359.603   5.2111  8218.56  237.738  8202.44  343.769  8233.34  329.133  359.258   7.5350  359.948   7.2004 -0.6897888 10.42216 
1 1 1    2    8   17 o  195.529   4.9980  2432.47  123.842  2235.54  174.109  2634.14  176.189  187.504   7.3119  203.553   6.8159 -16.04970 9.996052 
1 1 1    2    8   18 o  282.572   4.7963  5080.73  171.877  5053.05  249.328  5105.80  237.263  281.823   6.9665  283.320   6.5944 -1.496185 9.592637 
1 1 1    2    8   19 o  305.382   4.8891  5939.45  189.437  5666.96  268.464  6209.68  267.348  298.383   7.0849  312.380   6.7393 -13.99725 9.778241 
1 1 1    2    8   20 o  307.551   4.9622  6012.81  193.293  6146.60  285.220  5899.17  262.861  310.684   7.2291  304.417   6.7995 6.266968 9.924389 
1 1 1    2    8   21 o  299.201   4.9030  5697.35  185.772  5758.03  273.823  5645.60  252.869  300.645   7.1720  297.758   6.6873 2.886169 9.806011 
1 1 1    2    8   22 o  184.212   4.3299  2140.71   81.562  2194.26  181.793  2127.22   91.262  185.492   7.7174  182.931   3.9285 2.561554 8.659781 
1 1 1    2    8   23 o  206.998   4.4989  2748.80   87.026  2702.59  215.459  2757.81   95.132  205.708   8.2478  208.289   3.5965 -2.581665 8.997804 
1 1 1    2    8   24 o   58.380   10.097  220.178   40.146  210.046  168.407  220.788   41.338   57.885   19.423   58.876   5.5288 -0.9911919 20.19474 
1 1 1    2    8   25 o   26.285   9.2444 -108.6712   46.849 -63.8110  169.329 -112.3898   48.752   38.115   17.049   14.455   7.1537 23.66046 18.48886 
1 1 1    2    8   26 o  125.884   6.7471  1143.26   81.171  829.651  179.091  1224.34   91.062  113.152   12.463  138.615   5.1730 -25.46350 13.49424 
1 1 1    2    8   27 o   43.777   11.357   90.008   51.890  116.961  187.734   87.778   53.993   50.976   19.957   36.577   10.846 14.39855 22.71382 
1 1 1    2    8   28 o  139.687   6.4542  1161.93   66.373  1384.44  226.324  1140.99   69.426  145.543   12.245  133.832   4.0849 11.71109 12.90847 
1 1 1    2    8   29 o  136.768   6.9902  1154.05   69.299  1299.31  236.412  1140.40   72.483  139.839   13.313  133.696   4.2691 6.142838 13.98037 
1 1 1    2    8   30 o  200.397   6.3186  2640.25  159.632  2421.74  233.440  2832.18  218.780  192.148   9.5667  208.646   8.2569 -16.49800 12.63719 
1 1 1    2    8   31 o   26.001   9.3328 -633.0740  146.419 -734.5906  247.879 -578.6722  181.459   28.174   14.244   23.827   12.063 4.346920 18.66555 
1 1 1    2    8   32 o  102.025   11.491  827.440  133.060  561.674  208.581  1009.81  172.783   82.729   20.061  121.322   11.215 -38.59303 22.98266 
1 1 1    2   10    0 o  150.924   2.7822  1444.91   53.224  1472.27   77.996  1421.07   72.811  152.259   4.0338  149.589   3.8328 2.669357 5.564344 
1 1 1    2   10    1 o  372.947   3.4364  8827.02  162.656  9019.41  235.007  8650.11  225.357  376.843   4.9107  369.050   4.8085 7.793762 6.872869 
1 1 1    2   10    2 o  298.875   3.0282  5669.79  114.871  5764.23  165.712  5582.43  159.377  301.269   4.3313  296.482   4.2330 4.787720 6.056303 
1 1 1    2   10    3 o  172.651   2.7236  1893.18   59.632  1889.57   86.623  1896.43   82.214  172.494   3.9544  172.808   3.7463 -0.3140259 5.447223 
1 1 1    2   10    4 o  514.298   5.3618 16781.24  328.412 16870.76  575.526 16738.02  399.914  515.264   8.7954  513.332   6.1347 1.931580 10.72352 
1 1 1    2   10    5 o  337.045   3.2505  7214.79  139.118  7099.49  196.536  7330.57  196.950  334.346   4.6288  339.745   4.5648 -5.398682 6.501044 
1 1 1    2   10    6 o  373.805   3.4764  8870.92  164.967  8989.74  237.135  8759.49  229.642  376.229   4.9633  371.381   4.8692 4.847900 6.952887 
1 1 1    2   10    7 o  224.164   2.9280  3179.21   83.157  3362.84  122.852  3023.93  112.972  230.115   4.2040  218.213   4.0767 11.90262 5.856019 
1 1 1    2   10    8 o  422.839   3.8189 11343.22  204.939 10992.72  283.893 11724.65  296.152  416.026   5.3735  429.652   5.4277 -13.62582 7.637728 
1 1 1    2   10    9 o  233.668   4.4129  3467.55  130.948  3467.55  130.948   0.0000   0.0000  233.668   4.4129  ?   ?       ?      ? 
1 1 1    2   10   10 o  387.700   3.6742  9543.45  180.852  9684.11  259.286  9410.19  252.381  390.480   5.2288  384.920   5.1631 5.560822 7.348310 
1 1 1    2   10   11 o  735.227   5.9806 34346.23  558.389 34148.48  786.683 34547.02  792.714  733.094   8.4501  737.359   8.4656 -4.264587 11.96125 
1 1 1    2   10   12 o  629.272   5.2381 25157.12  418.568 25261.49  595.374 25055.13  588.573  630.561   7.4351  627.983   7.3803 2.578064 10.47613 
1 1 1    2   10   13 o  321.732   3.3219  6572.48  135.697  6386.40  190.242  6765.21  193.612  317.097   4.7243  326.367   4.6714 -9.270050 6.643875 
1 1 1    2   10   14 o  279.735   4.8698  4952.15  172.191  5180.50  258.451  4769.89  230.902  285.500   7.1284  273.970   6.6366 11.53076 9.739582 
1 1 1    2   10   15 o  491.888   6.1472 15396.74  383.967 15146.88  541.063 15650.24  544.981  487.863   8.7332  495.913   8.6536 -8.050110 12.29445 
1 1 1    2   10   16 o  391.683   5.3575  9752.03  266.281  9254.66  369.665 10288.44  383.896  381.309   7.6340  402.057   7.5188 -20.74777 10.71496 
1 1 1    2   10   17 o  126.152   6.5565  991.992  103.586  1153.84  163.990  884.544  133.617  134.503   9.6008  117.801   8.9317 16.70222 13.11299 
1 1 1    2   10   18 o  289.222   4.9146  5337.31  180.089  5075.52  259.315  5581.21  250.294  282.325   7.2327  296.120   6.6559 -13.79523 9.829182 
1 1 1    2   10   19 o  181.075   5.2015  2101.98  118.121  1998.66  179.355  2181.11  156.971  177.068   7.9762  185.082   6.6785 -8.014526 10.40297 
1 1 1    2   10   20 o  178.402   5.5566  2025.70  124.652  2057.81  190.756  2001.78  164.675  179.582   8.3645  177.222   7.3170 2.359665 11.11317 
1 1 1    2   10   21 o   83.782   10.598  489.760  101.543  385.118  173.411  544.363  125.265   75.399   18.296   92.164   10.703 -16.76488 21.19680 
1 1 1    2   10   22 o  171.692   5.7692  1890.84  123.016  1848.15  194.340  1919.39  158.903  169.950   9.0046  173.433   7.2148 -3.482697 11.53840 
1 1 1    2   10   23 o  379.436   5.4511  9205.79  262.529  8957.85  373.606  9447.62  368.981  374.339   7.8591  384.534   7.5560 -10.19510 10.90221 
1 1 1    2   10   24 o  369.006   5.6382  8586.90  261.340  9561.85  407.529  7905.92  340.594  386.414   8.3048  351.598   7.6281 34.81683 11.27636 
1 1 1    2   10   25 o   68.055   11.804  346.504  116.782   54.071  195.415  508.963  145.652   47.607   19.732   88.504   12.959 -40.89613 23.60746 
1 1 1    2   10   26 o   54.072   12.245  114.746  109.672  374.682  177.396 -46.0695  139.533   73.294   18.927   34.851   15.540 38.44369 24.48968 
1 1 1    2   10   27 o  129.986   8.2259  1069.26  127.437  1204.59  228.227  1007.95  153.615  135.219   13.291  124.752   9.6963 10.46737 16.45183 
1 1 1    2   10   28 o   62.594   14.009  282.680  128.342  193.915  199.645  345.198  167.549   56.046   20.906   69.143   18.652 -13.09618 28.01758 
1 1 1    2   10   29 o  166.091   8.0978  1842.19  167.311  1831.05  263.485  1849.72  216.579  164.835   12.587  167.347   10.191 -2.512375 16.19554 
1 1 1    2   10   30 o  118.066   10.417  981.903  156.117  1022.51  224.019  943.563  217.684  120.512   14.638  115.620   14.826 4.891975 20.83429 
1 1 1    2   12    0 o  707.288   5.7689 31782.95  518.159 31619.84  730.656 31947.97  734.939  705.463   8.1557  709.113   8.1613 -3.650696 11.53784 
1 1 1    2   12    1 o  465.491   5.9093 13762.89  349.323 13762.89  349.323   0.0000   0.0000  465.491   5.9093  ?   ?       ?      ? 
1 1 1    2   12    2 o  1151.68   9.0507 84201.48  1321.90 87012.05  1931.36 81724.54  1813.12  1169.70   13.002  1133.66   12.594 36.04187 18.10150 
1 1 1    2   12    3 o  591.185   4.9581 22195.99  372.179 21838.25  520.809 22569.35  532.052  586.319   6.9947  596.052   7.0290 -9.732300 9.916246 
1 1 1    2   12    4 o  241.612   3.2188  3702.83   98.471  3765.11  145.483  3650.18  133.772  243.483   4.7051  239.742   4.3938 3.741852 6.437653 
1 1 1    2   12    5 o  872.908   6.9647 48391.68  771.605 49417.62  1114.25 47446.40  1069.55  881.783   9.9505  864.033   9.7475 17.74915 13.92931 
1 1 1    2   12    6 o  399.317   3.7271 10127.67  188.968 10117.62  269.724 10137.36  264.825  399.121   5.3215  399.512   5.2198 -0.3913574 7.454175 
1 1 1    2   12    7 f  627.782   5.1967 25031.65  414.203 25347.65  593.435 24731.47  578.397  631.643   7.3982  623.922   7.2999 7.719971 10.39334 
1 1 1    2   12    8 o  624.519   5.1700 24767.63  409.858 25181.48  589.818 24381.19  569.946  629.558   7.3774  619.480   7.2449 10.07813 10.33994 
1 1 1    2   12    9 o  445.738   3.9879 12593.52  225.366 13075.42  330.364 12174.07  308.218  453.694   5.7339  437.783   5.5440 15.91080 7.975811 
1 1 1    2   12   10 f  426.209   3.8600 11533.68  208.825 11735.95  300.903 11345.74  290.043  429.810   5.5128  422.608   5.4044 7.201813 7.719989 
1 1 1    2   12   11 o  724.289   5.8871 33359.18  541.419 33647.77  773.211 33081.57  758.370  727.355   8.3709  721.222   8.2801 6.132935 11.77421 
1 1 1    2   12   12 o  308.570   3.2225  6048.80  126.238  5837.59  177.292  6266.01  179.790  303.105   4.6059  314.035   4.5083 -10.93002 6.445086 
1 1 1    2   12   13 o  186.200   2.8818  2192.03   67.947  2348.60  100.883  2062.02   91.923  192.254   4.1320  180.146   4.0181 12.10745 5.763585 
1 1 1    2   12   14 o  235.794   3.0075  3536.14   89.958  3463.86  129.492  3603.55  125.064  233.458   4.3677  238.130   4.1356 -4.672089 6.015006 
1 1 1    2   12   15 o  507.665   4.5720 16397.63  294.659 16296.51  410.957 16504.60  422.714  506.066   6.3946  509.263   6.5362 -3.196259 9.144003 
1 1 1    2   12   16 o  152.165   5.8355  1463.88  110.223  1532.54  177.327  1420.65  140.708  154.991   9.0093  149.339   7.4194 5.651566 11.67109 
1 1 1    2   12   17 o  315.413   4.9694  6325.66  197.980  6447.42  297.003  6228.29  265.595  318.092   7.3524  312.735   6.6875 5.356964 9.938866 
1 1 1    2   12   18 o  184.106   5.3937  2181.84  123.087  2062.00  193.687  2263.03  159.417  179.732   8.4859  188.480   6.6602 -8.748077 10.78744 
1 1 1    2   12   19 o  311.356   5.0509  6189.99  199.010  6077.33  292.505  6287.08  271.548  308.655   7.4625  314.058   6.8086 -5.403412 10.10178 
1 1 1    2   12   20 o  223.676   5.3072  3202.09  149.594  3126.26  224.485  3262.67  200.634  221.207   7.9912  226.145   6.9862 -4.938354 10.61442 
1 1 1    2   12   21 o  100.674   8.9021  636.257  112.092  810.089  175.205  515.801  145.847  112.024   12.316   89.324   12.857 22.70036 17.80411 
1 1 1    2   12   22 o  288.502   5.5853  5342.13  203.969  4986.92  293.393  5674.39  283.761  279.084   8.2782  297.921   7.5002 -18.83685 11.17060 
1 1 1    2   12   23 o   90.285   11.894  573.182  127.414  444.970  203.337  656.070  163.492   80.039   20.048  100.531   12.806 -20.49193 23.78889 
1 1 1    2   12   24 o  363.597   5.5902  8459.47  257.539  8740.83  379.455  8219.18  350.674  369.103   8.0953  358.091   7.7114 11.01221 11.18036 
1 1 1    2   12   25 o   48.523   13.473  107.416  121.459   73.738  185.515  132.683  160.686   47.394   19.391   49.652   18.710 -2.257484 26.94521 
1 1 1    2   12   26 o  136.637   8.1502  1163.82  135.915  1455.76  234.832  1016.77  166.668  148.490   12.453  124.784   10.518 23.70566 16.30038 
1 1 1    2   12   27 o  135.887   8.4571  1222.72  145.516  1346.00  215.198  1118.86  197.517  142.184   11.918  129.590   12.002 12.59325 16.91428 
1 1 1    2   14    0 o  314.439   3.3384  6267.07  133.040  6480.15  195.605  6083.65  181.480  319.399   4.8225  309.478   4.6177 9.920776 6.676751 
1 1 1    2   14    1 o  422.429   3.8615 11336.00  207.121 11363.73  295.680 11309.29  290.223  422.934   5.5052  421.924   5.4165 1.010895 7.723053 
1 1 1    2   14    2 o  367.069   3.5465  8545.67  165.121  8826.40  240.774  8296.42  226.878  372.749   5.0865  361.389   4.9436 11.35934 7.093016 
1 1 1    2   14    3 o  364.571   3.5234  8444.14  163.113  8336.32  230.940  8551.46  230.414  362.247   5.0201  366.895   4.9453 -4.647247 7.046811 
1 1 1    2   14    4 o  332.753   3.3987  7036.03  143.553  6969.10  205.590  7099.71  200.535  331.205   4.8880  334.301   4.7236 -3.095184 6.797405 
1 1 1    2   14    5 o  122.212   4.1288  966.995   62.884  813.503   93.182  1095.36   85.213  113.127   6.4861  131.297   5.1106 -18.17010 8.257622 
1 1 1    2   14    6 o  644.080   6.5717 26234.78  500.232 26889.24  893.559 25936.04  603.698  649.588   10.832  638.573   7.4444 11.01495 13.14349 
1 1 1    2   14    7 o  290.166   3.2099  5350.97  118.223  5320.77  169.597  5379.52  164.886  289.366   4.6152  290.966   4.4623 -1.600372 6.419739 
1 1 1    2   14    8 o  505.657   4.3762 16259.62  280.999 16017.66  395.339 16506.68  399.479  501.854   6.2032  509.461   6.1746 -7.606934 8.752408 
1 1 1    2   14    9 o  159.119   3.2903  1608.42   66.305  1620.33   97.602  1598.20   90.356  159.661   4.8137  158.578   4.4868 1.082977 6.580547 
1 1 1    2   14   10 o  194.432   3.0958  2395.38   76.233  2497.22  112.856  2309.92  103.386  198.217   4.4834  190.647   4.2702 7.569870 6.191592 
1 1 1    2   14   11 o   68.703   5.9486  320.184   47.111  197.162   67.800  435.036   65.510   54.717   10.130   82.689   6.2385 -27.97178 11.89725 
1 1 1    2   14   12 o  175.857   3.0323  1959.49   67.576  2059.14   99.585  1874.45   91.999  179.985   4.3569  171.729   4.2185 8.255402 6.064558 
1 1 1    2   14   13 o   96.937   3.8305  596.031   47.064  650.077   68.463  547.605   64.805  101.094   5.3328   92.779   5.5002 8.314445 7.660957 
1 1 1    2   14   14 o   98.247   3.7529  617.847   46.535  559.820   67.363  670.814   64.360   93.795   5.6554  102.700   4.9348 -8.904579 7.505722 
1 1 1    2   14   15 o  149.894   3.0944  1427.81   58.669  1438.45   87.084  1418.96   79.391  150.396   4.5596  149.392   4.1847 1.003815 6.188829 
1 1 1    2   14   16 o  168.670   3.0117  1813.94   63.936  1771.86   96.491  1846.89   85.366  166.903   4.5524  170.437   3.9440 -3.533890 6.023300 
1 1 1    2   14   17 o   61.678   11.966  263.354  108.157   70.043  169.700  395.596  140.359   46.473   18.716   76.884   14.914 -30.41044 23.93160 
1 1 1    2   14   18 o   36.051   11.493 -77.4263  110.330 -44.7027  167.540 -102.4836  146.607   38.949   17.216   33.153   15.231 5.795826 22.98679 
1 1 1    2   14   19 o  156.844   7.0968  1553.46  137.592  1694.91  225.719  1469.82  173.567  162.257   10.954  151.432   9.0255 10.82433 14.19360 
1 1 1    2   14   20 o  100.992   10.970  650.011  135.530  734.245  229.601  604.966  167.903  105.544   17.130   96.440   13.709 9.103050 21.94075 
1 1 1    2   14   21 o  180.188   6.2366  2077.06  140.030  2122.79  221.458  2046.59  180.750  181.652   9.6000  178.725   7.9637 2.927689 12.47323 
1 1 1    2   14   22 o  124.029   8.3591  1009.09  130.308  874.695  188.320  1132.54  180.496  115.783   12.808  132.275   10.745 -16.49188 16.71818 
1 1 1    2   14   23 o   65.398   12.927  305.618  120.225  145.539  182.874  427.468  159.550   52.222   19.892   78.574   16.514 -26.35215 25.85345 
1 1 1    2   14   24 o  141.069   8.1466  1384.73  135.485  1049.84  220.098  1589.05  171.916  125.473   13.813  156.664   8.6411 -31.19112 16.29316 
1 1 1    2   16    0 o  138.945   3.8881  1218.76   68.223  1310.38  103.286  1147.85   90.866  143.536   5.6663  134.353   5.3257 9.183197 7.776231 
1 1 1    2   16    1 o  107.299   4.5960  727.119   61.516  761.366   97.513  704.481   79.283  109.362   7.0214  105.235   5.9325 4.126129 9.192068 
1 1 1    2   16    2 o  530.297   4.5538 17891.05  306.592 18067.12  439.346 17723.93  428.047  532.830   6.4929  527.764   6.3867 5.065918 9.107565 
1 1 1    2   16    3 o  601.044   5.0454 23001.64  385.088 22906.11  546.341 23095.97  542.868  599.795   7.1727  602.293   7.0976 -2.497864 10.09074 
1 1 1    2   16    4 o  221.359   3.2063  3115.18   89.776  3110.65  132.955  3118.97  121.715  221.200   4.7330  221.518   4.3267 -0.3178253 6.412655 
1 1 1    2   16    5 o  375.358   3.6333  8960.23  173.160  8921.23  246.841  8998.01  242.975  374.548   5.1896  376.168   5.0863 -1.619751 7.266517 
1 1 1    2   16    6 o  476.316   4.2107 14430.98  254.597 14607.17  366.077 14265.92  354.320  479.121   6.0166  473.512   5.8923 5.608948 8.421324 
1 1 1    2   16    7 o  144.028   3.7773  1311.64   68.603  1383.11  104.443  1257.41   90.982  147.447   5.5778  140.609   5.0952 6.837585 7.554687 
1 1 1    2   16    8 o  150.641   3.7182  1468.19   69.908  1215.74  102.140  1690.67   95.885  138.219   5.8190  163.062   4.6304 -24.84250 7.436497 
1 1 1    2   16    9 o  156.928   3.5654  1561.39   70.806  1623.99  105.403  1509.90   95.585  159.777   5.1947  154.079   4.8850 5.698105 7.130814 
1 1 1    2   16   10 o  277.158   3.2731  4874.93  114.977  5041.93  169.005  4731.04  156.875  281.559   4.7267  272.758   4.5289 8.800323 6.546189 
1 1 1    2   16   11 o  302.203   3.3100  5809.62  127.015  5744.02  180.300  5874.23  178.959  300.505   4.7246  303.902   4.6371 -3.396637 6.619999 
1 1 1    2   16   12 o  288.288   3.2959  5288.50  120.584  5243.51  173.337  5330.69  167.858  287.088   4.7544  289.487   4.5660 -2.398590 6.591887 
1 1 1    2   16   13 o   42.419   8.3544  116.613   47.722  156.105   69.601   81.576   65.558   48.328   11.506   36.510   12.116 11.81704 16.70886 
1 1 1    2   16   14 o  199.407   3.2358  2521.73   81.778  2667.28  120.361  2396.92  111.456  204.728   4.6295  194.085   4.5220 10.64304 6.471514 
1 1 1    2   16   15 o  136.314   3.7092  1184.14   64.099  1171.78   93.155  1195.26   88.335  135.625   5.4087  137.003   5.0772 -1.378265 7.418327 
1 1 1    2   16   16 o  365.497   3.8297  8386.48  176.437  7333.13  233.821  9779.35  268.875  339.235   5.4276  391.758   5.4045 -52.52264 7.659427 
1 1 1    2   16   17 o   97.949   7.2623  613.428   90.335  613.428   90.335   0.0000   0.0000   97.949   7.2623  ?   ?       ?      ? 
1 1 1    2   16   18 o  225.565   5.9788  3302.63  168.876  2970.81  252.721  3570.34  226.999  214.977   9.2570  236.152   7.5693 -21.17453 11.95769 
1 1 1    2   16   19 o  129.029   8.6203  1077.61  139.747  1121.50  215.552  1045.78  183.546  131.085   12.949  126.974   11.383 4.110634 17.24056 
1 1 1    2   16   20 o  139.974   8.2462  1283.16  145.668  1214.04  214.590  1342.23  198.376  136.222   12.405  143.727   10.869 -7.504166 16.49247 
1 1 1    2   16   21 o  146.357   8.8364  1386.00  164.236   0.0000   0.0000  1386.00  164.236  ?   ?   146.357   8.8364      ?      ? 
1 1 1    2   18    0 o  174.970   3.7027  1961.70   81.533  1829.69  121.263  2070.61  110.148  169.530   5.6325  180.410   4.8077 -10.88007 7.405379 
1 1 1    2   18    1 o  112.427   5.2295  812.231   73.541  768.582  112.542  844.758   97.153  109.723   8.0768  115.132   6.6448 -5.409409 10.45890 
1 1 1    2   18    2 o  228.512   3.4721  3299.57  100.216  3534.69  151.501  3116.66  133.629  235.686   5.0618  221.339   4.7541 14.34709 6.944273 
1 1 1    2   18    3 o   94.943   5.9857  593.061   69.830  438.820  101.581  731.253   96.151   82.801   9.6605  107.085   7.0704 -24.28418 11.97148 
1 1 1    2   18    4 o  344.765   3.5687  7564.26  156.209  7567.42  223.393  7561.23  218.513  344.827   5.1014  344.703   4.9918 0.1244202 7.137382 
1 1 1    2   18    5 o  149.772   4.0306  1433.11   76.397  1355.59  110.771  1503.43  105.503  145.875   5.9796  153.669   5.4063 -7.794235 8.061221 
1 1 1    2   18    6 o  149.671   3.9813  1419.46   75.405  1510.63  112.552  1345.21  101.568  154.000   5.7552  145.343   5.5028 8.656494 7.962596 
1 1 1    2   18    7 o  186.894   3.7140  2232.49   87.404  2153.31  131.141  2295.77  117.241  183.864   5.6165  189.923   4.8610 -6.059738 7.427904 
1 1 1    2   18    8 o  161.777   3.8850  1655.41   79.207  1757.91  121.048  1578.65  104.744  166.102   5.7386  157.451   5.2385 8.651260 7.769977 
1 1 1    2   18    9 o  184.349   3.7035  2173.13   86.130  2078.76  127.778  2251.71  116.602  180.630   5.5704  188.068   4.8822 -7.437988 7.407088 
1 1 1    2   18   10 o   25.299   12.023 -264.0562   66.264 -129.1999  105.052 -353.1676   85.396   25.299   12.023  ?   ?       ?      ? 
1 1 1    2   18   12 o  502.548   6.3311 16119.76  404.051   0.0000   0.0000 16119.76  404.051  ?   ?   502.548   6.3311      ?      ? 
1 1 1    2   18   13 o  331.198   3.6257  6987.99  152.334  7033.90  220.875  6946.33  210.373  332.210   5.2355  330.185   5.0171 2.024170 7.251329 
1 1 1    2   18   14 o  150.875   3.8837  1452.41   73.910  1447.04  111.048  1456.67   99.031  150.585   5.8070  151.165   5.1587 -0.5798340 7.767444 
1 1 1    2   18   15 o  171.009   3.5722  1874.33   76.959  1778.61  114.604  1952.94  103.859  166.960   5.4052  175.058   4.6718 -8.098083 7.144355 
1 1 1    2   18   16 o  158.960   3.6077  1620.47   72.364  1526.41  106.630  1700.78   98.525  154.610   5.4308  163.310   4.7507 -8.700150 7.215437 
1 1 1    2   18   17 o  246.986   3.2616  3892.72  101.838  3883.47  151.287  3900.39  137.711  246.661   4.8297  247.311   4.3848 -0.6502686 6.523230 
1 1 1    2   18   18 o  256.154   5.8448  4204.84  190.128  4204.84  190.128   0.0000   0.0000  256.154   5.8448  ?   ?       ?      ? 
1 1 1    2   20    0 o   41.407   11.396   71.557   85.727   91.123  129.527   56.305  114.358   43.815   16.729   38.999   15.479 4.816936 22.79132 
1 1 1    2   20    1 o   96.811   7.3201  602.914   89.102  721.870  129.353  495.510  122.911  105.982   9.6109   87.639   11.044 18.34344 14.64013 
1 1 1    2   20    2 o   38.061   10.928   38.769   83.370   70.001  118.265   7.9172  117.545   40.693   15.865   35.430   15.033 5.262684 21.85595 
1 1 1    2   20    3 o  222.462   3.9614  3154.07  111.857  3017.31  156.506  3296.89  159.930  217.524   5.6656  227.400   5.5381 -9.876038 7.922749 
1 1 1    2   20    4 o  297.264   5.3452  5632.69  201.782  5632.69  201.782   0.0000   0.0000  297.264   5.3452  ?   ?       ?      ? 
1 1 1    2   20    5 o  187.948   4.1510  2256.30   98.798  2049.82  138.983  2467.24  140.472  179.208   6.1070  196.688   5.6239 -17.47923 8.301992 
1 1 1    2   20    6 o  150.788   4.7191  1450.69   89.182  1467.20  138.059  1438.88  116.829  151.448   7.1783  150.129   6.1278 1.318634 9.438171 
1 1 1    2   20    7 o  287.326   3.6587  5252.91  133.053  5384.21  197.392  5143.57  180.123  290.571   5.3493  284.082   4.9929 6.488861 7.317379 
1 1 1    2   20    8 o  202.604   3.8734  2632.30   99.024  2474.47  145.805  2767.43  134.910  196.874   5.8318  208.335   5.0992 -11.46121 7.746783 
1 1 1    2   20    9 o  144.545   4.8783  1323.02   88.945  1558.06  133.181  1133.78  119.502  156.038   6.7210  133.053   7.0725 22.98569 9.756655 
1 1 1    2   20   10 o   47.395   10.694  147.015   72.449  146.924  106.794  147.092   98.611   47.568   15.448   47.222   14.790 0.3460464 21.38704 
1 1 1    2   20   11 o   70.706   8.3469  327.293   72.287  413.986  108.314  257.671   97.066   79.809   10.687   61.602   12.825 18.20647 16.69379 
1 1 1    2   20   12 o  165.244   3.9806  1751.36   83.073  1697.10  123.023  1796.83  112.628  162.814   5.9500  167.674   5.2894 -4.859863 7.961168 
1 1 1    2   20   13 o   35.444   9.8478   42.750   65.621   94.841  101.420   5.2410   86.063   40.835   14.960   30.052   12.810 10.78346 19.69558 
1 1 1    2   20   14 o  130.272   5.1355  1095.30   84.540  1093.71  125.862  1096.61  114.116  130.081   7.6191  130.464   6.8878 -0.3829498 10.27093 
1 1 1    2   20   15 o   50.276   14.742  177.406  100.224  177.406  100.224   0.0000   0.0000   50.276   14.742  ?   ?       ?      ? 
1 1 1    2   22    0 o  246.225   4.0297  3879.60  124.753  3901.45  190.516  3863.20  165.062  246.687   6.0815  245.762   5.2888 0.9247894 8.059480 
1 1 1    2   22    1 o  174.541   4.8304  1987.26  105.255  1752.89  158.009  2174.22  141.124  164.918   7.5446  184.163   6.0342 -19.24492 9.660844 
1 1 1    2   22    2 o   74.832   10.128  412.913   90.047  259.247  141.218  518.203  116.894   60.593   17.422   89.071   10.334 -28.47732 20.25663 
1 1 1    2   22    3 o  275.911   3.7868  4883.94  132.226  4704.17  193.042  5042.82  181.484  271.011   5.6090  280.811   5.0892 -9.799316 7.573694 
1 1 1    2   22    4 o  206.739   4.1952  2751.45  109.021  2665.76  164.955  2817.90  145.273  203.710   6.3764  209.768   5.4534 -6.058151 8.390373 
1 1 1    2   22    5 o   88.477   8.2170  511.306   91.522  563.193  141.136  473.654  120.228   92.172   12.058   84.783   11.167 7.389107 16.43407 
1 1 1    2   22    6 o   70.800   10.139  377.436   85.416  239.884  140.514  458.055  107.573   58.036   17.563   83.564   10.137 -25.52755 20.27828 
1 1 1    2   22    7 o   38.760   10.777   41.395   82.110  142.224  124.921 -35.3042  108.952   47.076   16.686   30.445   13.643 16.63122 21.55302 
1 1 1    2   22    8 o   69.334   10.314  352.854   88.347  245.538  136.161  430.883  116.105   58.219   17.214   80.448   11.365 -22.22845 20.62746 
1 1 1    2   22    9 o   23.278   11.733 -687.7493   99.371 -476.3913  160.860 -818.1818  126.366   23.278   11.733  ?   ?       ?      ? 
1 1 1    2   22   10 o  259.552   5.4747  4377.98  179.726  4536.87  268.277  4248.60  242.079  263.571   8.0151  255.534   7.4599 8.036560 10.94950 
1 1 1    2   22   11 o  160.016   6.6356  1703.28  133.246  1399.83  186.708  2018.24  190.217  144.862   10.149  175.169   8.5509 -30.30659 13.27119 
1 1 1    2   22   12 o   80.025   15.417  469.559  150.990  469.559  150.990   0.0000   0.0000   80.025   15.417  ?   ?       ?      ? 
1 1 1    2   24    0 o   47.551   11.458  167.405   90.775   47.347  150.789  235.645  113.682   39.387   16.877   55.715   15.501 -16.32782 22.91544 
1 1 1    2   24    1 o   54.059   12.003  219.988   87.624  242.810  155.950  209.458  105.925   55.376   18.690   52.743   15.065 2.632259 24.00628 
1 1 1    2   24    2 o   58.729   11.612  274.227   89.998  225.715  150.392  301.292  112.332   53.683   18.353   63.776   14.231 -10.09305 23.22423 
1 1 1    2   24    3 o  124.258   6.4248  1027.98   99.527  1072.04  157.578  998.742  128.374  125.878   9.8575  122.638   8.2428 3.240250 12.84965 
1 1 1    2   24    4 o   46.648   11.956  159.542   91.154  126.722  151.005  178.358  114.335   44.725   17.776   48.571   15.995 -3.846016 23.91264 
1 1 1    2   24    5 o   60.892   12.335  314.299  101.354  224.630  185.392  352.526  121.045   53.096   20.075   68.688   14.340 -15.59181 24.67083 
1 1 1    2   24    6 o  120.162   8.3613  1009.82  126.557  1045.05  192.533  983.005  167.936  121.330   12.496  118.993   11.113 2.336838 16.72267 
1 1 1    2   24    7 o   49.250   12.759  177.380  117.010   21.403  177.966  296.150  155.296   39.217   17.514   59.283   18.560 -20.06574 25.51886 
1 1 1    3    1    0 o   18.575   6.0368   21.107   16.307   0.0000   0.0000   21.107   16.307  ?   ?    18.575   6.0368      ?      ? 
1 1 1    3    1    1 o  347.675   4.4239  7676.42  195.322  7676.42  195.322   0.0000   0.0000  347.675   4.4239  ?   ?       ?      ? 
1 1 1    3    1    2 o  227.752   2.4037  3291.96   69.501  3211.14   96.858  3377.72   99.785  224.873   3.3917  230.632   3.4070 -5.758911 4.807425 
1 1 1    3    1    3 o  590.240   6.8250 22081.26  510.646 23036.14  750.123 21256.57  697.112  602.095   9.8105  578.385   9.4909 23.70941 13.65001 
1 1 1    3    1    5 o  737.938   7.2566 34431.85  636.754 35116.33  1123.15 34107.64  772.982  743.193   11.900  732.683   8.3076 10.51044 14.51324 
1 1 1    3    1    6 o  441.623   3.7852 12380.76  212.214 12147.04  295.421 12629.95  305.041  437.319   5.3194  445.926   5.3866 -8.606476 7.570487 
1 1 1    3    1    7 o  745.519   5.9720 35320.60  565.393 35223.34  797.383 35418.93  801.806  744.487   8.4340  746.550   8.4573 -2.062317 11.94396 
1 1 1    3    1    8 o  458.656   3.9133 13308.56  227.323 12659.04  308.020 14085.50  336.882  446.419   5.4332  470.892   5.6335 -24.47382 7.826648 
1 1 1    3    1    9 o  809.410   6.4514 41642.53  663.099 41382.35  932.063 41909.18  943.571  806.853   9.0965  811.967   9.1508 -5.114197 12.90281 
1 1 1    3    1   10 o  515.237   4.3148 16855.79  282.224 17170.16  405.617 16560.77  392.935  519.890   6.1437  510.584   6.0601 9.305847 8.629533 
1 1 1    3    1   11 o  1023.22   8.0554 66580.66  1046.73 66568.27  1479.94 66593.07  1480.67  1023.13   11.390  1023.32   11.394 -0.1901855 16.11081 
1 1 1    3    1   12 o  676.395   5.4748 29066.04  470.223 28808.85  659.670 29331.70  670.453  673.355   7.7144  679.435   7.7704 -6.079529 10.94950 
1 1 1    3    1   13 o  364.728   3.3270  8429.24  153.878  8809.44  225.072  8095.56  210.857  372.431   4.7588  357.025   4.6506 15.40698 6.653913 
1 1 1    3    1   14 o  847.442   8.2978 45242.36  830.915 46813.63  1488.26 44530.76  1001.55  857.821   13.662  837.063   9.4218 20.75726 16.59558 
1 1 1    3    1   15 o  1991.58   19.035 252389.70  4507.60 256717.20  7941.74 250333.09  5474.94  2001.86   31.240  1981.31   21.760 20.55164 38.07085 
1 1 1    3    1   16 o  1044.40   8.2402 69282.75  1092.10 67771.17  1510.18 70939.84  1581.20  1032.48   11.518  1056.31   11.787 -23.83069 16.48030 
1 1 1    3    1   17 o  919.729   7.3109 53737.26  853.541 54719.14  1228.74 52821.68  1186.54  927.836   10.428  911.623   10.249 16.21283 14.62173 
1 1 1    3    1   18 o  410.411   3.7208 10697.73  193.915 10743.83  275.613 10652.53  272.883  411.286   5.2769  409.535   5.2470 1.750702 7.441507 
1 1 1    3    1   19 o  210.801   2.9389  2822.42   78.666  2875.92  111.298  2769.01  111.203  212.798   4.1185  208.805   4.1937 3.993378 5.877895 
1 1 1    3    1   20 f  304.297   3.8774  5892.37  142.455  5912.17  176.174  5854.97  242.125  305.069   4.5474  303.525   6.2816 1.544098 7.754826 
1 1 1    3    1   21 o  182.273   4.0717  2085.09   84.292  2173.08  161.945  2052.39   98.718  184.825   6.8997  179.721   4.3254 5.104416 8.143379 
1 1 1    3    1   22 o  353.953   3.4561  7959.88  155.305  7776.58  216.503  8154.19  222.905  349.759   4.8744  358.148   4.9009 -8.388672 6.912210 
1 1 1    3    1   23 o  130.823   3.7293  1088.94   61.904  1035.29   87.422  1142.89   87.669  127.585   5.3957  134.061   5.1495 -6.476204 7.458567 
1 1 1    3    1   24 o   41.675   8.5797  106.387   53.050  177.736   74.964   34.808   75.085   51.662   11.698   31.689   12.554 19.97245 17.15937 
1 1 1    3    1   25 o  343.844   3.4789  7520.93  151.884  7544.47  216.857  7498.27  212.794  344.366   4.9588  343.321   4.8807 1.045685 6.957774 
1 1 1    3    1   26 o   68.329   10.290  302.864   76.017  317.380  158.341  298.516   86.657   68.416   17.987   68.242   9.9994 0.1738663 20.57941 
1 1 1    3    1   27 o  211.640   4.9420  2904.31  118.976  2757.76  222.559  2962.95  140.780  207.581   8.4427  215.700   5.1394 -8.119431 9.883958 
1 1 1    3    1   28 o  246.006   5.1177  3833.18  144.368  3951.99  272.121  3786.64  170.311  248.284   8.6305  243.727   5.5025 4.557465 10.23540 
1 1 1    3    1   29 o  199.134   5.2222  2606.69  113.302  2404.15  224.601  2675.83  131.222  193.374   9.1461  204.893   5.0431 -11.51938 10.44434 
1 1 1    3    1   30 o   94.145   9.1142  517.923   95.546  719.299  200.016  458.386  108.757  104.161   15.121   84.128   10.180 20.03261 18.22840 
1 1 1    3    1   31 o  151.675   6.9462  1509.19  132.473  1395.46  196.846  1603.33  179.098  146.099   10.610  157.250   8.9686 -11.15085 13.89240 
1 1 1    3    1   32 o   65.245   12.931  272.799  128.860  553.652  195.280   56.187  171.498   86.925   18.270   43.565   18.303 43.36041 25.86114 
1 1 1    3    1   33 o   24.073   8.5107 -401.1630  110.442 -603.3979  172.672 -261.1526  143.673   22.467   11.415   25.679   12.627 -3.212444 17.02149 
1 1 1    3    1   34 o   70.208   11.750  391.949  105.250  284.457  154.135  485.856  144.066   59.296   18.478   81.119   14.518 -21.82316 23.49919 
1 1 1    3    3    0 o  254.314   2.5811  4068.56   82.952  4529.01  124.963  3705.84  110.912  267.057   3.6847  241.572   3.6154 25.48483 5.162177 
1 1 1    3    3    1 o  753.271   8.5220 36042.41  814.706 36888.79  1177.55 35265.27  1128.36  761.737   12.173  744.804   11.930 16.93298 17.04399 
1 1 1    3    3    2 o  275.340   2.7070  4814.28   94.651  4839.31  134.253  4789.55  133.464  276.052   3.8296  274.629   3.8268 1.422852 5.413946 
1 1 1    3    3    3 o  274.473   3.3389  4842.45  110.378  4974.59  137.008  4598.07  186.318  279.883   3.8547  269.064   5.4528 10.81842 6.677737 
1 1 1    3    3    4 o  1035.69   16.296 68285.61  2143.39 68285.61  2143.39   0.0000   0.0000  1035.69   16.296  ?   ?       ?      ? 
1 1 1    3    3    5 o  410.615   5.0815 10702.55  264.821 10972.04  382.525 10454.51  366.984  415.572   7.2483  405.657   7.1238 9.915344 10.16297 
1 1 1    3    3    6 o  646.787   7.4360 26486.17  608.896 25250.31  822.905 27981.51  905.180  630.202   10.282  663.371   10.745 -33.16870 14.87207 
1 1 1    3    3    7 o  177.107   2.9454  2021.14   61.497  1913.08  108.161  2072.75   74.756  173.550   4.9076  180.663   3.2584 -7.113083 5.890806 
1 1 1    3    3    8 o  447.485   4.4996 12357.13  214.552 13395.13  458.124 12065.50  242.827  459.115   7.8575  435.856   4.3871 23.25830 8.999269 
1 1 1    3    3    9 o  375.438   3.0895  8956.26  144.546  8931.01  227.313  8973.41  187.289  374.984   4.7735  375.891   3.9235 -0.9068298 6.178981 
1 1 1    3    3   10 f  469.578   4.0069 13978.53  238.624 13492.19  327.291 14530.43  348.653  460.878   5.5920  478.278   5.7403 -17.39923 8.013867 
1 1 1    3    3   11 o  729.553   5.8732 33819.28  544.110 33582.52  764.407 34062.43  774.670  726.967   8.2800  732.139   8.3319 -5.172363 11.74649 
1 1 1    3    3   12 o  752.837   8.5527 36016.36  817.677   0.0000   0.0000 36016.36  817.677  ?   ?   752.837   8.5527      ?      ? 
1 1 1    3    3   13 o  1024.24   8.0781 66639.27  1049.92 68294.63  1521.05 65132.75  1451.06  1036.36   11.557  1012.12   11.289 24.24225 16.15616 
1 1 1    3    3   14 o  845.329   6.1344 45660.51  652.511 43298.83  976.870 47563.12  876.800  825.435   9.3192  865.223   7.9798 -39.78857 12.26885 
1 1 1    3    3   15 o  911.436   8.3261 53429.12  850.207 51493.42  1637.02 54144.11  994.913  899.735   14.327  923.136   8.4868 -23.40088 16.65215 
1 1 1    3    3   16 o  1613.03   14.597 164297.41  2555.22 168808.80  5243.55 162892.41  2926.17  1625.85   25.396  1600.21   14.399 25.64050 29.19433 
1 1 1    3    3   17 o  295.066   4.0800  5529.87  140.047  5530.36  255.917  5529.65  167.325  295.057   6.8299  295.076   4.4653 -0.1864624E-01 8.160057 
1 1 1    3    3   18 o  654.734   6.6037 27670.48  533.129 25325.52  842.885 29234.19  688.302  631.168   10.516  678.299   7.9906 -47.13116 13.20732 
1 1 1    3    3   19 o  269.094   3.8133  4687.88  115.370  4409.87  219.532  4793.96  135.605  263.447   6.5619  274.740   3.8867 -11.29318 7.626550 
1 1 1    3    3   20 o  342.164   4.0994  7406.40  155.819  7512.71  307.969  7369.82  180.648  343.727   7.0553  340.601   4.1765 3.125793 8.198799 
1 1 1    3    3   21 o  187.837   4.0351  2202.02   82.418  2324.19  169.804  2164.37   94.266  191.114   6.9965  184.560   4.0220 6.554184 8.070118 
1 1 1    3    3   22 o  605.250   5.8947 23386.27  393.921 23257.08  781.589 23430.27  456.084  603.592   10.197  606.909   5.9176 -3.316528 11.78937 
1 1 1    3    3   23 o  399.598   4.4620 10267.50  199.174  9943.22  385.651 10385.46  232.595  395.019   7.6877  404.176   4.5316 -9.157043 8.923958 
1 1 1    3    3   24 o  251.761   4.4091  4052.98  135.611  3971.22  223.705  4100.48  170.514  249.649   7.0561  253.873   5.2889 -4.224167 8.818252 
1 1 1    3    3   25 o  218.887   4.2762  2978.73  105.501  3209.84  206.744  2897.35  122.676  224.345   7.2567  213.430   4.5261 10.91435 8.552498 
1 1 1    3    3   26 o   86.837   9.7975  564.626   79.756  391.652  173.160  611.203   89.855   75.821   18.212   97.854   7.2308 -22.03320 19.59498 
1 1 1    3    3   27 o  146.563   6.4583  1382.00  102.259  1367.59  209.011  1386.54  117.250  145.688   11.297  147.438   6.2622 -1.749893 12.91665 
1 1 1    3    3   28 o  133.193   7.1440  1088.86   96.002  1231.18  222.475  1056.29  106.419  137.771   12.716  128.615   6.5155 9.155212 14.28798 
1 1 1    3    3   29 o   71.116   11.848  368.104   88.565  276.284  206.539  388.791   98.036   64.593   21.508   77.640   9.9431 -13.04649 23.69553 
1 1 1    3    3   30 o   70.291   12.773  327.525   94.905  365.083  224.961  319.393  104.676   71.716   22.319   68.866   12.426 2.849724 25.54535 
1 1 1    3    3   31 o   81.686   10.922  485.944   92.222  410.367  190.253  509.156  105.437   74.937   19.723   88.435   9.3884 -13.49830 21.84384 
1 1 1    3    3   32 o   38.838   12.314 -47.6313  102.510   87.181  222.566 -83.9301  115.489   49.158   20.762   28.518   13.249 20.64084 24.62891 
1 1 1    3    3   33 o  107.762   8.5967  706.826   98.453  975.443  219.695  639.326  110.130  117.230   14.757   98.294   8.8227 18.93535 17.19345 
1 1 1    3    3   34 o   62.641   14.254  342.676  130.868  281.685  212.029  380.209  166.331   57.406   21.519   67.876   18.699 -10.47000 28.50858 
1 1 1    3    5    0 o  472.927   4.0117 14156.02  240.361 14922.29  355.206 13508.77  326.454  484.687   5.7709  461.166   5.5743 23.52133 8.023418 
1 1 1    3    5    1 o  453.309   3.8764 13029.11  222.886 12597.41  306.257 13515.24  324.995  445.341   5.4152  461.276   5.5480 -15.93442 7.752745 
1 1 1    3    5    2 o  424.257   3.6794 11431.17  198.221 11547.47  282.493 11318.37  278.210  426.382   5.2171  422.132   5.1897 4.250244 7.358797 
1 1 1    3    5    3 o  416.444   3.6297 11011.98  191.923 11196.17  274.677 10836.27  268.275  419.845   5.1518  413.043   5.1146 6.802124 7.259428 
1 1 1    3    5    4 o  587.377   4.8276 21901.49  359.884 22439.97  520.039 21406.59  498.548  594.296   6.8906  580.457   6.7633 13.83868 9.655171 
1 1 1    3    5    5 o  707.588   6.9852 32005.42  596.823 32400.22  739.929 31270.28  1009.68  714.014   8.1603  701.162   11.339 12.85150 13.97033 
1 1 1    3    5    6 o  421.212   3.7061 11253.93  198.061 10915.97  273.105 11628.89  287.664  414.552   5.1877  427.872   5.2941 -13.32001 7.412125 
1 1 1    3    5    7 o  465.360   5.6630 13760.46  334.637 13872.69  477.134 13651.82  469.457  467.226   8.0415  463.495   7.9758 3.731171 11.32600 
1 1 1    3    5    8 o  304.403   4.2778  5883.26  165.320  5701.06  231.061  6074.36  236.634  299.576   6.0735  309.230   6.0258 -9.653534 8.555615 
1 1 1    3    5    9 o  457.722   5.6006 13305.64  325.445 13041.88  453.319 13586.16  467.507  453.045   7.8792  462.399   7.9615 -9.353546 11.20124 
1 1 1    3    5   10 o  518.709   6.1947 17094.15  407.995 16843.73  570.760 17355.80  583.432  514.827   8.7300  522.591   8.7913 -7.763916 12.38948 
1 1 1    3    5   11 o  1585.23   17.508 160561.80  3523.25 158049.09  4903.79 163243.00  5065.40  1572.50   24.556  1597.96   24.962 -25.45483 35.01559 
1 1 1    3    5   12 o  916.755   8.5058 52755.94  851.707 54799.20  1736.61 52108.81  977.318  927.947   14.737  905.563   8.4985 22.38422 17.01159 
1 1 1    3    5   13 o  531.626   5.2058 18021.67  305.092 17820.13  606.233 18090.02  353.061  529.560   9.0146  533.691   5.2093 -4.131042 10.41153 
1 1 1    3    5   14 o  588.220   5.6858 22023.12  367.789 21900.82  734.583 22064.03  424.878  587.045   9.8535  589.396   5.6765 -2.351196 11.37166 
1 1 1    3    5   15 o  396.204   4.3740  9945.18  184.645 10018.13  387.427  9923.74  210.034  397.105   7.6826  395.303   4.1839 1.801819 8.747969 
1 1 1    3    5   16 o  409.319   4.4688 10453.20  193.307 10984.70  414.553 10305.52  218.519  415.808   7.8507  402.831   4.2716 12.97647 8.937575 
1 1 1    3    5   17 f  724.865   6.8337 33258.13  540.332 33665.66  1097.03 33127.59  620.865  727.600   11.873  722.129   6.7703 5.471252 13.66731 
1 1 1    3    5   18 o  696.403   6.5866 30827.52  503.091 30843.50  1010.19 30822.25  580.154  696.303   11.424  696.503   6.5591 -0.2001343 13.17325 
1 1 1    3    5   19 o  685.749   6.4999 30044.84  491.514 29683.37  975.709 30167.76  568.982  682.596   11.256  688.902   6.5037 -6.305725 12.99973 
1 1 1    3    5   20 o  278.138   6.8682  4921.75  242.595  4921.75  242.595   0.0000   0.0000  278.138   6.8682  ?   ?       ?      ? 
1 1 1    3    5   21 o   53.485   9.9897  184.816   52.200  161.168  149.357  188.107   55.714   52.629   18.276   54.341   8.0734 -1.712090 19.97943 
1 1 1    3    5   22 o  188.459   4.2557  2261.56   79.431  2257.15  183.481  2262.58   88.116  188.224   7.6761  188.695   3.6772 -0.4712524 8.511386 
1 1 1    3    5   23 o  299.086   4.0739  5610.54  126.173  5834.90  277.496  5552.06  141.664  302.612   7.2209  295.560   3.7743 7.051910 8.147815 
1 1 1    3    5   24 o  141.102   5.4105  1296.34   71.802  1230.80  174.731  1309.66   78.760  138.691   9.9207  143.512   4.3215 -4.820358 10.82109 
1 1 1    3    5   25 o   70.827   9.9119  307.204   64.307  366.938  168.017  296.951   69.608   73.474   18.120   68.179   8.0395 5.295502 19.82376 
1 1 1    3    5   26 o  115.263   6.8159  848.664   75.218  857.624  181.593  846.808   82.641  115.244   12.408  115.281   5.6450 -0.3646088E-01 13.63174 
1 1 1    3    5   27 o  120.330   14.617  944.479  223.364  944.479  223.364   0.0000   0.0000  120.330   14.617  ?   ?       ?      ? 
1 1 1    3    5   28 o  121.575   7.4148  1024.82   85.710  845.628  197.389  1066.46   95.148  113.868   13.650  129.282   5.7954 -15.41387 14.82960 
1 1 1    3    5   29 o  116.019   8.1666  903.030   88.840  834.144  214.172  917.346   97.636  112.297   15.018  119.741   6.4208 -7.444000 16.33318 
1 1 1    3    5   30 o  228.394   5.0026  3268.95  125.226  3521.54  255.771  3189.30  143.617  233.375   8.6302  223.414   5.0620 9.960342 10.00518 
1 1 1    3    5   31 o  155.824   5.8582  1646.49   92.822  1460.31  199.641  1697.84  104.844  148.840   10.562  162.807   5.0710 -13.96751 11.71638 
1 1 1    3    5   32 f  172.266   7.9492  2137.25  158.690  1532.44  259.047  2500.55  200.772  149.023   13.688  195.509   8.0864 -46.48639 15.89837 
1 1 1    3    5   33 o   48.437   13.615  143.994  117.650  196.113  211.712  120.707  141.512   52.668   21.012   44.207   17.321 8.460865 27.23074 
1 1 1    3    5   34 o   45.445   19.065  127.824  185.629   0.0000   0.0000  127.824  185.629  ?   ?    45.445   19.065      ?      ? 
1 1 1    3    7    0 o  361.827   3.3019  8303.03  151.581  8595.91  220.169  8039.10  209.002  367.883   4.7127  355.770   4.6260 12.11273 6.603711 
1 1 1    3    7    1 o  322.158   3.0591  6529.98  124.482  7200.08  188.320  6009.98  165.893  336.698   4.4043  307.618   4.2466 29.07956 6.118111 
1 1 1    3    7    2 o  196.138   2.4831  2405.92   61.360  2848.55   93.313  2068.73   81.444  211.790   3.4694  180.486   3.5534 31.30385 4.966228 
1 1 1    3    7    3 o  229.999   2.6009  3359.51   75.963  3354.64  107.852  3364.31  107.010  229.833   3.6952  230.165   3.6611 -0.3316803 5.201727 
1 1 1    3    7    4 o  1110.56   12.347 78598.53  1741.28 78237.00  2451.62 78966.57  2473.61  1107.99   17.424  1113.13   17.499 -5.136597 24.69393 
1 1 1    3    7    5 o  792.214   6.3324 39884.84  637.034 40158.45  906.916 39618.38  895.005  794.893   8.9842  789.534   8.9264 5.358459 12.66480 
1 1 1    3    7    6 o  729.136   7.1868 33884.68  629.566 33525.28  1079.83 34069.76  774.893  726.058   11.711  732.214   8.3335 -6.155762 14.37365 
1 1 1    3    7    7 o  737.970   7.3232 34349.06  640.040 33877.57  773.362 35374.05  1140.27  730.152   8.3405  745.789   12.040 -15.63727 14.64639 
1 1 1    3    7    8 o  557.201   4.6571 19711.84  329.413 19330.82  458.140 20119.67  473.985  551.631   6.5399  562.771   6.6322 -11.13916 9.314293 
1 1 1    3    7    9 o  506.687   4.3764 16308.24  281.601 16328.88  398.488 16287.66  398.000  507.007   6.1890  506.367   6.1893 0.6402893 8.752798 
1 1 1    3    7   10 f  442.791   5.5530 12449.02  312.147 12118.70  434.784 12800.38  448.418  436.734   7.8393  448.848   7.8669 -12.11401 11.10603 
1 1 1    3    7   11 o  700.833   8.0643 31181.21  716.922 32119.09  1044.16 30344.76  986.091  710.777   11.568  690.890   11.239 19.88684 16.12868 
1 1 1    3    7   12 o  261.321   4.5430  4326.77  150.493  4512.30  221.017  4166.39  205.489  266.530   6.5298  256.113   6.3180 10.41663 9.086026 
1 1 1    3    7   13 o  397.168   5.3966  9993.50  271.598 10426.66  400.328  9624.09  369.693  405.116   7.7814  389.221   7.4794 15.89551 10.79315 
1 1 1    3    7   14 f  791.202   9.0529 39739.90  908.341 41103.36  1327.51 38539.54  1245.58  803.921   13.003  778.484   12.599 25.43738 18.10581 
1 1 1    3    7   15 o  412.828   5.5389 10827.93  290.210 10834.15  417.748 10822.13  403.462  412.938   7.9662  412.718   7.6979 0.2203369 11.07783 
1 1 1    3    7   16 o  199.383   4.9354  2504.79  123.452  2655.22  192.291  2399.31  161.018  204.426   7.4070  194.339   6.5243 10.08698 9.870714 
1 1 1    3    7   17 f  410.539   5.4660 10683.35  284.381 11157.01  418.789 10278.04  387.394  418.952   7.8714  402.126   7.5860 16.82596 10.93192 
1 1 1    3    7   18 o  616.247   6.0646 23464.06  400.777 25489.88  848.156 22881.70  454.749  632.518   10.559  599.977   5.9684 32.54102 12.12913 
1 1 1    3    7   19 f  170.890   3.9988  1736.05   58.292  2024.77  167.962  1696.51   62.155  178.356   7.4156  163.425   2.9949 14.93100 7.997538 
1 1 1    3    7   20 o  308.686   4.0185  6023.63  125.308  6120.96  283.343  5999.97  139.714  310.074   7.1956  307.297   3.5802 2.776184 8.037089 
1 1 1    3    7   21 o  493.265   5.0716 15129.26  264.215 16160.57  569.023 14845.79  298.324  503.329   8.9023  483.202   4.8616 20.12714 10.14327 
1 1 1    3    7   22 o  160.667   4.4534  1557.69   66.908  1773.01  171.538  1519.05   72.663  166.733   8.1014  154.601   3.7010 12.13179 8.906780 
1 1 1    3    7   23 o  263.937   4.0998  4374.41  104.766  4529.33  251.395  4341.85  115.251  266.503   7.4281  261.371   3.4722 5.131622 8.199558 
1 1 1    3    7   24 f  257.532   4.0400  4136.46  101.148  4361.75  242.493  4089.01  111.292  261.439   7.3038  253.625   3.4554 7.814423 8.079935 
1 1 1    3    7   25 o  364.148   4.5303  8598.41  195.877  8051.17  338.682  8873.45  240.107  354.992   7.5127  373.305   5.0648 -18.31311 9.060524 
1 1 1    3    7   26 o  332.168   7.9529  7061.58  335.475  7061.58  335.475   0.0000   0.0000  332.168   7.9529  ?   ?       ?      ? 
1 1 1    3    7   27 o   78.384   10.014  327.508   60.726  526.760  201.060  307.508   63.701   87.435   18.675   69.333   7.2348 18.10146 20.02755 
1 1 1    3    7   28 f   51.070   10.560  199.924   67.248 -62.6387  208.398  230.443   71.049   42.360   18.933   59.781   9.3587 -17.42081 21.11971 
1 1 1    3    7   29 o   70.088   11.307  201.209   68.201  601.594  218.033  157.785   71.804   92.031   19.273   48.145   11.829 43.88597 22.61384 
1 1 1    3    7   30 o  147.277   7.2888  1426.48  133.699  1410.32  209.720  1437.55  173.536  146.083   11.305  148.471   9.2039 -2.388077 14.57769 
1 1 1    3    7   31 o  124.921   10.286  1058.74  160.067  1203.88  257.823  967.707  204.184  131.028   15.495  118.814   13.532 12.21416 20.57200 
1 1 1    3    7   32 o  139.390   7.4658  1319.08  131.364  1243.12  192.583  1385.18  179.645  135.066   11.228  143.713   9.8433 -8.647491 14.93166 
1 1 1    3    7   33 o   94.339   12.314  719.792  132.042  636.436  230.473  760.520  161.103   85.001   21.373  103.676   12.236 -18.67438 24.62779 
1 1 1    3    9    0 o  785.539   6.2822 39203.77  626.541 39740.38  898.031 38694.84  874.561  790.770   8.9426  780.307   8.8257 10.46271 12.56432 
1 1 1    3    9    1 o  249.028   2.7368  3933.43   86.478  4055.97  125.460  3822.52  119.364  252.718   3.9092  245.339   3.8311 7.379761 5.473553 
1 1 1    3    9    2 o  110.825   3.3253  759.043   44.415  845.757   77.744  717.028   54.116  115.394   5.3053  106.257   4.0105 9.136993 6.650564 
1 1 1    3    9    3 o  664.601   6.6005 28113.69  526.925 28199.59  648.023 27946.08  905.237  666.205   7.6596  662.996   10.752 3.208374 13.20100 
1 1 1    3    9    4 o  275.062   2.8747  4799.10  100.353  4980.48  145.047  4632.56  138.987  280.041   4.0786  270.083   4.0523 9.958191 5.749410 
1 1 1    3    9    5 o  307.733   3.0561  6011.19  119.338  6087.46  172.701  5941.50  165.095  309.599   4.3926  305.867   4.2503 3.731964 6.112286 
1 1 1    3    9    6 o  706.020   5.7126 31581.30  511.093 33006.64  753.178 30364.80  695.816  720.733   8.2290  691.306   7.9259 29.42755 11.42520 
1 1 1    3    9    7 o  1358.55   12.987 117972.10  2123.23 116340.20  3625.35 118824.00  2619.48  1350.65   21.136  1366.45   15.095 -15.80115 25.97333 
1 1 1    3    9    8 o  545.817   4.5772 18905.96  317.035 19373.97  459.015 18479.02  438.406  552.268   6.5448  539.366   6.4005 12.90173 9.154324 
1 1 1    3    9    9 f  317.762   3.1845  6405.05  128.354  6558.79  186.908  6267.85  176.572  321.365   4.5798  314.158   4.4258 7.206635 6.368917 
1 1 1    3    9   10 o  321.118   3.2808  6548.40  133.754  6567.13  191.491  6530.57  186.906  321.566   4.6892  320.671   4.5897 0.8949585 6.561583 
1 1 1    3    9   11 o  400.231   3.7652 10024.01  189.539 11253.83  293.897  9148.26  248.007  420.936   5.4980  379.527   5.1457 41.40887 7.530307 
1 1 1    3    9   12 o  884.483   10.017 49726.35  1124.36 50865.11  1626.72 48684.70  1555.81  894.152   14.326  874.815   14.004 19.33643 20.03388 
1 1 1    3    9   13 o  644.001   7.5822 26356.34  619.984 25872.40  866.698 26863.50  887.244  637.951   10.698  650.051   10.748 -12.10077 15.16449 
1 1 1    3    9   14 o  417.057   5.5664 11005.70  293.886 11623.41  437.105 10496.10  397.016  427.684   8.0479  406.430   7.6921 21.25494 11.13272 
1 1 1    3    9   15 o  673.323   7.8731 28827.08  672.903 28120.78  934.604 29587.30  969.618  664.775   11.071  681.872   11.197 -17.09711 15.74624 
1 1 1    3    9   16 o  629.846   7.4513 25265.02  595.857 25473.23  853.430 25067.00  832.305  632.360   10.627  627.332   10.447 5.028442 14.90264 
1 1 1    3    9   17 o  435.274   5.7454 12058.28  317.340 12189.95  458.909 11937.63  439.306  437.530   8.2592  433.018   7.9888 4.512268 11.49073 
1 1 1    3    9   18 o  602.509   7.2131 23139.57  551.312 23738.41  802.070 22603.24  759.054  609.843   10.357  595.175   10.043 14.66736 14.42617 
1 1 1    3    9   19 o  310.212   4.9236  6119.96  193.535  6224.41  284.294  6029.75  264.208  312.652   7.1603  307.772   6.7599 4.880371 9.847102 
1 1 1    3    9   20 o  233.888   4.8650  3488.84  143.474  3441.34  215.377  3526.73  192.372  232.411   7.2973  235.365   6.4361 -2.953873 9.730059 
1 1 1    3    9   21 o  233.521   5.0109  3478.48  148.075  3434.06  218.040  3516.50  201.728  232.098   7.3975  234.944   6.7612 -2.845886 10.02186 
1 1 1    3    9   22 o  334.052   5.2119  7122.64  220.866  7005.56  318.209  7231.49  306.807  331.361   7.5620  336.742   7.1745 -5.381622 10.42383 
1 1 1    3    9   23 o  186.050   5.6659  2193.02  132.382  2335.18  205.508  2092.19  173.074  191.090   8.4686  181.010   7.5293 10.08002 11.33172 
1 1 1    3    9   24 o  158.133   6.1363  1598.12  122.997  1651.76  180.621  1551.75  167.956  160.574   8.8576  155.692   8.4948 4.882141 12.27261 
1 1 1    3    9   25 o   51.142   13.510  138.234  119.026   56.516  198.750  183.932  148.626   48.169   19.927   54.115   18.246 -5.945564 27.01912 
1 1 1    3    9   26 o  101.139   9.2530  651.759  116.935  744.929  186.636  591.550  150.034  106.830   13.757   95.447   12.378 11.38374 18.50594 
1 1 1    3    9   27 o  199.462   5.9012  2549.27  147.883  2623.19  227.678  2495.32  194.495  201.784   8.8850  197.139   7.7689 4.644501 11.80248 
1 1 1    3    9   28 o  123.918   9.0453  1011.65  135.792  1019.58  229.097  1007.35  168.602  123.580   14.598  124.255   10.685 -0.6752777 18.09053 
1 1 1    3    9   29 o   36.141   11.709 -85.1567  119.851 -72.5472  183.894 -94.4678  158.023   38.170   17.354   34.112   15.724 4.057251 23.41825 
1 1 1    3    9   30 o  231.244   6.8655  3252.75  191.331  4502.39  343.619  2691.21  230.342  260.163   10.401  202.325   8.9649 57.83775 13.73100 
1 1 1    3    9   31 o   63.000   12.712  266.777  115.403  526.782  187.992  109.547  146.189   82.141   18.470   43.859   17.472 38.28215 25.42467 
1 1 1    3    9   32 o   47.762   18.230  169.044  153.783   0.0000   0.0000  169.044  153.783  ?   ?    47.762   18.230      ?      ? 
1 1 1    3   11    0 o  250.525   2.9562  3984.11   93.970  3757.89  131.467  4220.42  134.366  243.256   4.2558  257.794   4.1043 -14.53754 5.912430 
1 1 1    3   11    1 o  673.406   5.4904 28749.85  468.804 29832.20  686.442 27803.74  641.786  685.254   7.8881  661.558   7.6391 23.69623 10.98086 
1 1 1    3   11    2 o  121.905   5.2983  943.831   82.023  943.831   82.023   0.0000   0.0000  121.905   5.2983  ?   ?       ?      ? 
1 1 1    3   11    3 o  292.066   3.1585  5416.67  117.134  5294.25  164.738  5541.83  166.581  288.728   4.4929  295.403   4.4405 -6.674591 6.316988 
1 1 1    3   11    4 o  1089.81   8.5772 75447.89  1186.24 77212.06  1716.60 73835.41  1641.14  1101.97   12.266  1077.64   11.992 24.33264 17.15442 
1 1 1    3   11    5 o  555.964   4.7011 19629.42  331.828 19835.72  475.725 19433.93  463.082  558.806   6.7037  553.121   6.5926 5.684814 9.402296 
1 1 1    3   11    6 o  1036.07   8.1777 68235.07  1075.88 68698.13  1532.77 67785.35  1510.52  1039.53   11.611  1032.61   11.519 6.919312 16.35533 
1 1 1    3   11    7 o  400.990   3.7450 10132.75  189.637 10946.02  287.233  9504.33  252.488  415.139   5.4483  386.841   5.1396 28.29764 7.489993 
1 1 1    3   11    8 o  701.329   5.7186 31232.76  509.078 31814.09  733.529 30692.60  707.089  707.617   8.1629  695.041   8.0110 12.57593 11.43714 
1 1 1    3   11    9 o  136.687   3.3396  1189.40   57.769  1076.24   81.745  1302.30   81.651  130.175   4.9449  143.198   4.4900 -13.02342 6.679220 
1 1 1    3   11   10 o  268.258   3.0763  4556.02  104.575  4780.92  154.172  4364.38  142.319  274.370   4.4248  262.147   4.2751 12.22275 6.152623 
1 1 1    3   11   11 o  481.731   4.2044 14725.80  256.995 15112.79  372.780 14375.27  354.779  487.754   6.0183  475.708   5.8727 12.04523 8.408850 
1 1 1    3   11   12 o  415.402   3.7919 10943.62  199.850 10522.93  275.557 11410.46  290.277  406.995   5.3314  423.809   5.3934 -16.81354 7.583755 
1 1 1    3   11   13 f  109.666   3.0548  764.844   42.122  758.043   64.101  770.013   55.881  109.233   4.6210  110.100   3.9967 -0.8667068 6.109545 
1 1 1    3   11   14 o  373.143   5.3046  8861.55  251.264  8564.33  355.195  9159.25  355.487  366.867   7.6240  379.421   7.3778 -12.55389 10.60926 
1 1 1    3   11   15 o  298.692   4.9377  5683.85  187.017  5540.32  269.870  5816.46  259.404  295.039   7.2027  302.345   6.7561 -7.306061 9.875441 
1 1 1    3   11   16 o  231.036   4.9127  3410.47  143.589  3158.93  206.738  3644.89  199.580  222.745   7.3086  239.328   6.5667 -16.58324 9.825356 
1 1 1    3   11   17 o  382.546   5.3488  9317.06  259.589  9434.26  376.579  9210.95  358.329  384.814   7.7060  380.279   7.4200 4.535156 10.69756 
1 1 1    3   11   18 o   75.061   10.595  361.700   95.781  452.003  154.706  305.572  121.967   82.481   15.334   67.640   14.625 14.84078 21.19036 
1 1 1    3   11   19 o  186.949   5.5567  2234.31  129.735  2199.83  201.914  2258.54  169.309  185.639   8.5648  188.258   7.0819 -2.618484 11.11349 
1 1 1    3   11   20 o   63.931   12.633  282.096  106.402  211.703  177.472  321.599  132.946   58.705   19.938   69.158   15.519 -10.45274 25.26576 
1 1 1    3   11   21 o   69.977   12.194  309.496  107.869  466.662  174.438  212.185  137.260   83.129   17.095   56.825   17.393 26.30444 24.38732 
1 1 1    3   11   22 f  210.879   5.5737  2836.86  147.234  2880.32  228.546  2806.03  192.503  212.143   8.4833  209.615   7.2316 2.527985 11.14735 
1 1 1    3   11   23 o  363.577   5.7287  8447.97  263.686  8634.33  390.287  8291.47  357.661  367.161   8.3705  359.994   7.8235 7.166809 11.45737 
1 1 1    3   11   24 o  153.791   7.1756  1542.49  137.393  1411.32  210.971  1639.09  181.049  147.796   11.240  159.786   8.9223 -11.99039 14.35114 
1 1 1    3   11   25 o  133.622   10.113  1152.93  171.604   0.0000   0.0000  1152.93  171.604  ?   ?   133.622   10.113      ?      ? 
1 1 1    3   11   26 o   52.966   13.934  160.993  121.333  138.586  210.300  172.173  148.551   53.629   21.084   52.303   18.223 1.326031 27.86760 
1 1 1    3   11   27 o  152.654   7.4994  1475.59  139.281  1700.86  239.859  1360.99  171.079  160.627   11.759  144.682   9.3112 15.94511 14.99885 
1 1 1    3   11   28 o  133.455   8.4733  1168.18  141.474  1327.52  224.569  1063.33  182.169  140.502   12.586  126.408   11.348 14.09393 16.94663 
1 1 1    3   11   29 o  168.474   10.765  1903.74  230.309   0.0000   0.0000  1903.74  230.309  ?   ?   168.474   10.765      ?      ? 
1 1 1    3   13    0 o  470.200   4.1444 14030.23  247.284 14362.64  358.178 13727.49  341.819  475.514   5.9314  464.885   5.7899 10.62900 8.288840 
1 1 1    3   13    1 o  541.327   4.5971 18612.96  316.007 18395.72  444.314 18835.34  449.536  538.131   6.5017  544.523   6.5008 -6.392029 9.194156 
1 1 1    3   13    2 o  317.955   3.2995  6409.28  133.107  6101.19  183.897  6748.31  192.910  309.944   4.6721  325.967   4.6602 -16.02319 6.598933 
1 1 1    3   13    3 o  465.265   5.0460 13741.84  281.698 13719.49  345.633 13786.05  486.161  464.744   5.8563  465.786   8.2189 -1.041687 10.09194 
1 1 1    3   13    4 o  472.073   5.1380 14141.33  287.201 14207.33  508.827 14110.47  347.921  472.830   8.4740  471.317   5.8129 1.512573 10.27607 
1 1 1    3   13    5 o  628.369   5.2029 25069.64  414.992 24493.51  576.425 25689.58  597.942  620.882   7.3106  635.855   7.4050 -14.97345 10.40572 
1 1 1    3   13    6 o  262.496   3.1989  4375.60  106.461  4390.09  155.182  4362.73  146.324  262.904   4.6480  262.088   4.3963 0.8163757 6.397788 
1 1 1    3   13    7 o  360.738   3.5156  8266.20  161.012  8271.85  230.381  8260.80  225.122  360.857   5.0273  360.619   4.9158 0.2378235 7.031250 
1 1 1    3   13    8 o  192.836   3.1047  2368.16   75.819  2254.23  109.643  2472.57  104.960  188.376   4.5833  197.296   4.1892 -8.919617 6.209333 
1 1 1    3   13    9 o  254.725   3.0811  4121.50   99.594  4139.14  143.799  4105.25  138.069  255.246   4.4363  254.204   4.2770 1.042236 6.162225 
1 1 1    3   13   10 o  172.093   3.1079  1878.60   67.759  1926.51   99.843  1837.69   92.257  174.120   4.5153  170.066   4.2717 4.054398 6.215786 
1 1 1    3   13   11 o  228.801   2.9700  3317.06   86.138  3481.48  126.580  3175.25  117.556  234.064   4.2584  223.538   4.1411 10.52609 5.939960 
1 1 1    3   13   12 o  170.859   2.9918  1857.74   64.751  1816.28   94.387  1894.60   88.995  169.051   4.3966  172.668   4.0586 -3.617966 5.983512 
1 1 1    3   13   13 o  381.925   3.6161  9275.59  175.366  9144.29  248.493  9405.87  247.518  379.227   5.1599  384.622   5.0675 -5.395111 7.232143 
1 1 1    3   13   14 o  128.288   3.0126  1030.83   48.691  1174.18   74.797  925.408   64.144  135.913   4.3336  120.663   4.1860 15.24944 6.025177 
1 1 1    3   13   15 o  215.976   3.9095  2995.50   98.313  3038.84  117.994  2897.10  177.791  218.641   4.2496  213.311   6.5632 5.329483 7.818902 
1 1 1    3   13   16 o  421.053   5.6463 11310.76  301.818 11089.16  429.104 11527.74  424.601  416.942   8.1042  425.165   7.8640 -8.222260 11.29252 
1 1 1    3   13   17 o  268.116   4.9095  4572.06  166.479  4686.08  248.187  4478.79  224.469  271.109   7.2087  265.123   6.6670 5.985992 9.819064 
1 1 1    3   13   18 o  180.367   5.5661  2105.50  125.605  1859.46  187.284  2306.64  169.333  170.556   8.6468  190.178   7.0114 -19.62167 11.13227 
1 1 1    3   13   19 o   73.974   11.497  352.577  104.168  486.842  166.712  266.583  133.419   85.159   16.003   62.790   16.512 22.36874 22.99463 
1 1 1    3   13   20 o  292.149   5.2197  5464.02  193.068  5288.97  281.534  5619.42  265.269  287.642   7.7073  296.656   7.0413 -9.014069 10.43946 
1 1 1    3   13   21 o  101.147   11.502  714.836  135.715  555.459  215.911  818.936  174.496   89.796   19.493  112.498   12.214 -22.70229 23.00358 
1 1 1    3   13   22 o  239.685   5.6080  3674.12  169.157  3723.91  257.819  3636.48  224.148  240.974   8.4249  238.397   7.4038 2.577316 11.21590 
1 1 1    3   13   23 o   49.578   13.901  103.904  129.254   87.924  200.771  115.214  168.915   49.984   20.278   49.172   19.019 0.8120422 27.80101 
1 1 1    3   13   24 o  105.991   9.7186  737.848  129.713  764.088  197.949  718.102  171.718  107.410   14.512  104.573   12.931 2.836533 19.43718 
1 1 1    3   13   25 o   78.627   12.500  435.357  120.051  460.086  189.179  418.684  155.336   79.991   18.920   77.262   16.342 2.728432 25.00037 
1 1 1    3   13   26 o   99.414   13.724  668.933  173.267   0.0000   0.0000  668.933  173.267  ?   ?    99.414   13.724      ?      ? 
1 1 1    3   15    0 o  122.057   4.2851  942.476   66.026  990.074   99.888  905.542   87.990  124.772   6.3040  119.341   5.8059 5.431061 8.570229 
1 1 1    3   15    1 o  153.473   3.5928  1490.43   69.737  1568.18  104.374  1427.73   93.728  157.067   5.2328  149.878   4.9244 7.188950 7.185522 
1 1 1    3   15    2 o  258.034   3.2317  4235.25  105.751  4145.27  152.666  4318.25  146.627  255.390   4.7072  260.678   4.4293 -5.287857 6.463428 
1 1 1    3   15    3 o   78.249   6.1250  392.043   59.896  378.212   92.487  402.033   78.607   77.030   9.4546   79.468   7.7892 -2.437737 12.24993 
1 1 1    3   15    4 o  471.060   4.1758 14110.74  249.779 13865.15  351.774 14360.46  354.728  466.923   5.9325  475.197   5.8782 -8.273590 8.351533 
1 1 1    3   15    5 o  382.649   3.6551  9306.56  177.508  9367.90  255.883  9249.65  246.452  383.857   5.2492  381.441   5.0878 2.415680 7.310240 
1 1 1    3   15    6 o  404.555   3.7748 10388.51  193.645 10720.91  283.185 10096.56  265.390  410.613   5.4307  398.496   5.2442 12.11652 7.549512 
1 1 1    3   15    7 o  173.540   3.4281  1922.78   74.984  1839.72  111.732  1990.84  101.145  170.102   5.1724  176.979   4.5003 -6.877350 6.856137 
1 1 1    3   15    8 o  335.043   3.4241  7133.38  145.565  7210.38  210.759  7063.14  201.287  336.763   4.9282  333.322   4.7553 3.441193 6.848299 
1 1 1    3   15    9 o  422.080   3.8620 11319.19  206.826 11597.30  300.153 11067.76  285.396  427.002   5.5352  417.159   5.3873 9.843567 7.724077 
1 1 1    3   15   10 o  200.107   3.1183  2550.26   79.080  2448.35  114.038  2644.66  109.758  196.240   4.5760  203.974   4.2372 -7.733902 6.236501 
1 1 1    3   15   11 o  376.312   3.5980  9007.21  171.924  8985.26  244.859  9028.55  241.453  375.855   5.1300  376.770   5.0464 -0.9147949 7.196029 
1 1 1    3   15   12 o  153.661   3.2991  1494.96   64.219  1645.23   94.187  1364.41   87.790  160.848   4.6110  146.474   4.7196 14.37421 6.598210 
1 1 1    3   15   13 o  277.331   3.2178  4891.74  113.289  4730.93  159.745  5054.46  160.690  272.739   4.6122  281.922   4.4883 -9.183533 6.435577 
1 1 1    3   15   14 o  278.977   3.1666  4952.90  112.112  4759.88  158.920  5144.12  158.182  273.553   4.5747  284.401   4.3797 -10.84772 6.333228 
1 1 1    3   15   15 o  133.572   3.2483  1130.90   54.658  1167.50   83.292  1103.21   72.436  135.449   4.8423  131.696   4.3312 3.752808 6.496679 
1 1 1    3   15   16 o  317.694   4.3433  6398.19  162.420  6339.41  195.467  6529.31  291.925  315.581   4.8774  319.808   7.1879 -4.226837 8.686503 
1 1 1    3   15   17 o   90.191   11.410  544.792  124.292  520.438  197.223  560.837  160.084   87.366   18.359   93.016   13.552 -5.650070 22.81961 
1 1 1    3   15   18 f  389.469   5.9944  9644.53  293.998 10271.48  451.060  9181.46  387.657  400.222   8.8747  378.716   8.0604 21.50580 11.98878 
1 1 1    3   15   19 o  108.204   10.072  786.783  133.584  649.718  205.934  886.355  175.522   99.367   16.320  117.041   11.809 -17.67443 20.14404 
1 1 1    3   15   20 o   82.623   12.792  469.095  129.262  484.558  199.202  457.847  169.885   83.485   19.191   81.760   16.920 1.725189 25.58447 
1 1 1    3   15   21 o  200.499   6.0314  2587.43  151.871  2584.55  232.543  2589.57  200.548  200.202   9.1466  200.797   7.8647 -0.5955658 12.06289 
1 1 1    3   15   22 o  218.516   5.7184  3096.87  156.768  2933.60  237.246  3223.41  208.864  213.090   8.7671  223.942   7.3443 -10.85208 11.43686 
1 1 1    3   17    0 o  535.392   4.6166 18252.48  313.875 18101.25  444.648 18402.68  443.127  533.172   6.5671  537.611   6.4906 -4.438538 9.233294 
1 1 1    3   17    1 o  370.865   3.6444  8744.29  171.496  8848.55  248.336  8649.24  237.116  372.966   5.2432  368.764   5.0633 4.201904 7.288880 
1 1 1    3   17    2 o  338.503   3.5102  7292.17  150.798  7099.49  215.167  7478.17  211.404  334.094   5.0714  342.912   4.8546 -8.818909 7.020414 
1 1 1    3   17    3 o  302.214   3.4165  5816.14  130.917  5636.26  188.620  5983.34  181.853  297.684   4.9895  306.745   4.6684 -9.061035 6.832908 
1 1 1    3   17    4 o  234.114   4.0143  3430.57  110.132  3636.40  201.394  3342.76  131.544  238.945   6.6370  229.283   4.5177 9.662903 8.028670 
1 1 1    3   17    5 o  110.080   4.8449  767.671   67.052  801.763  103.278  742.832   88.158  112.159   7.2510  108.001   6.4277 4.157188 9.689788 
1 1 1    3   17    6 o  144.811   4.1099  1341.16   74.454  1296.78  114.653  1373.52   97.906  142.696   6.3270  146.926   5.2473 -4.229630 8.219767 
1 1 1    3   17    7 o  279.248   3.3713  4965.54  119.373  4846.88  172.412  5074.80  165.441  276.025   4.9186  282.472   4.6120 -6.447449 6.742643 
1 1 1    3   17    8 o  346.908   3.5559  7657.00  156.463  7665.76  227.010  7649.08  215.948  347.079   5.1504  346.737   4.9042 0.3425293 7.111810 
1 1 1    3   17    9 o  256.728   3.2728  4196.78  106.578  4092.47  153.240  4294.51  148.327  253.621   4.7578  259.834   4.4952 -6.212738 6.545503 
1 1 1    3   17   10 o  241.523   3.2925  3715.22  100.871  3528.51  143.167  3899.28  142.146  235.477   4.7876  247.570   4.5213 -12.09193 6.585033 
1 1 1    3   17   11 o  194.821   3.3582  2417.02   82.749  2399.03  122.428  2432.15  112.278  194.132   4.9660  195.510   4.5222 -1.377304 6.716493 
1 1 1    3   17   12 o  159.104   3.6515  1615.52   73.578  1485.37  104.430  1743.81  103.683  152.707   5.3850  165.501   4.9332 -12.79439 7.303090 
1 1 1    3   17   13 o  177.632   3.8235  1982.53   85.631  2263.45  130.857  1772.13  113.245  188.479   5.4671  166.785   5.3467 21.69395 7.646969 
1 1 1    3   17   15 o  388.024   3.8180  9590.36  187.853  9722.22  274.045  9473.48  258.009  390.503   5.5261  385.546   5.2696 4.956757 7.635906 
1 1 1    3   17   16 o  137.916   3.5530  1204.97   61.127  1250.03   96.694  1174.97   78.890  140.007   5.4384  135.825   4.5737 4.182755 7.105965 
1 1 1    3   17   17 o   30.557   9.9451 -24.9161   59.666 -15.5928   63.558 -94.1219  173.163   24.270   10.671   36.843   16.785 -12.57310 19.89019 
1 1 1    3   17   18 o  168.260   7.1041  1805.32  150.129  2016.78  234.288  1658.00  195.552  176.358   10.461  160.162   9.6145 16.19595 14.20819 
1 1 1    3   17   19 o  173.124   8.2950  1933.70  182.369   0.0000   0.0000  1933.70  182.369  ?   ?   173.124   8.2950      ?      ? 
1 1 1    3   19    0 o  232.953   3.6346  3451.90  106.825  3487.41  160.873  3423.89  142.870  233.988   5.4139  231.919   4.8510 2.068863 7.269281 
1 1 1    3   19    1 o  174.189   4.0223  1936.69   87.927  1910.84  134.625  1955.92  116.113  173.125   6.1233  175.252   5.2172 -2.127472 8.044534 
1 1 1    3   19    2 o  126.556   5.0489  1027.43   80.338  985.651  121.100  1060.27  107.367  124.192   7.6784  128.919   6.5581 -4.726715 10.09785 
1 1 1    3   19    3 o  260.777   5.1459  4330.69  170.416  4330.69  170.416   0.0000   0.0000  260.777   5.1459  ?   ?       ?      ? 
1 1 1    3   19    4 o  361.386   3.7285  8303.59  170.863  8583.63  249.870  8057.65  234.167  367.080   5.3601  355.693   5.1841 11.38751 7.456936 
1 1 1    3   19    5 o  331.036   3.7378  6979.38  156.819  6999.45  229.290  6961.75  214.955  331.450   5.4474  330.622   5.1196 0.8281250 7.475608 
1 1 1    3   19    6 o  308.583   5.5218  6068.00  216.385  6068.00  216.385   0.0000   0.0000  308.583   5.5218  ?   ?       ?      ? 
1 1 1    3   19    7 o  347.081   7.6532  7704.32  337.327  7704.32  337.327   0.0000   0.0000  347.081   7.6532  ?   ?       ?      ? 
1 1 1    3   19    8 o   24.467   8.2967 -210.2943   79.810 -395.1350  119.314 -60.6201  107.366   19.686   9.9444   29.248   13.283 -9.561985 16.59332 
1 1 1    3   19    9 o  175.986   4.2353  2001.35   93.398  1755.52  137.989  2209.19  126.879  165.802   6.5536  186.170   5.3666 -20.36839 8.470525 
1 1 1    3   19   10 o   76.561   7.5020  375.487   72.599  404.109  109.290  352.883   97.124   79.124   10.877   73.998   10.335 5.126358 15.00410 
1 1 1    3   19   11 o  277.856   3.5601  4919.65  125.365  4938.56  183.376  4903.06  171.778  278.324   5.1882  277.387   4.8764 0.9370422 7.120169 
1 1 1    3   19   12 o  187.054   3.7519  2233.87   89.023  2184.36  128.124  2280.08  123.782  185.024   5.4529  189.084   5.1550 -4.059601 7.503834 
1 1 1    3   19   13 o   81.722   11.422  509.860   79.770  368.507  213.578  532.775   85.993   72.309   21.601   91.135   7.4302 -18.82611 22.84349 
1 1 1    3   19   14 o   68.259   7.5486  320.989   60.814  224.292   89.833  402.794   82.627   57.427   12.659   79.091   8.2265 -21.66365 15.09718 
1 1 1    3   19   15 o  173.136   3.4709  1919.02   76.101  1837.93  110.330  1992.62  105.106  169.593   5.1228  176.678   4.6845 -7.084412 6.941737 
1 1 1    3   19   16 o  136.775   4.0676  1197.56   70.547  1227.29  103.092  1171.37   96.747  138.343   5.8680  135.207   5.6346 3.136673 8.135194 
1 1 1    3   21    0 o  212.380   4.1892  2879.99  112.207  2893.65  169.054  2869.24  150.016  212.756   6.2570  212.005   5.5720 0.7512054 8.378392 
1 1 1    3   21    1 o  173.582   4.4197  1919.74   97.186  2015.30  143.692  1839.17  131.941  177.526   6.3737  169.637   6.1246 7.889099 8.839423 
1 1 1    3   21    2 o  164.053   4.6778  1733.44   96.374  1636.94  145.200  1809.43  128.847  159.838   7.1534  168.267   6.0297 -8.429779 9.355647 
1 1 1    3   21    3 o  106.872   6.8009  734.568   91.102  755.300  141.454  719.874  119.088  108.023   10.312  105.721   8.8701 2.301926 13.60172 
1 1 1    3   21    4 o  249.098   3.8608  3946.72  121.621  4122.81  181.972  3804.56  163.503  254.054   5.6403  244.143   5.2736 9.911041 7.721600 
1 1 1    3   21    5 o  206.467   4.0975  2714.05  106.935  2828.39  160.427  2622.64  143.450  210.315   6.0066  202.620   5.5749 7.695496 8.195086 
1 1 1    3   21    6 o  239.782   3.8899  3673.52  117.339  3673.37  178.547  3673.63  155.678  239.676   5.8661  239.888   5.1102 -0.2121429 7.779825 
1 1 1    3   21    7 o  207.475   4.0260  2742.61  105.227  2831.61  160.315  2675.24  139.477  210.340   6.0017  204.611   5.3678 5.728683 8.051950 
1 1 1    3   21    8 o  293.038   3.6269  5489.67  134.861  5406.40  193.744  5567.94  187.837  290.839   5.2456  295.237   5.0100 -4.398041 7.253721 
1 1 1    3   21    9 o  104.437   5.9435  697.920   78.221  765.016  119.974  648.312  103.161  108.690   8.6920  100.183   8.1086 8.506599 11.88698 
1 1 1    3   21   10 o  221.695   4.2456  3136.20  114.357  3213.70  193.031  3094.29  141.948  223.466   6.8020  219.924   5.0825 3.541687 8.491144 
1 1 1    3   21   11 o   52.191   10.460  181.493   76.004  276.900  113.400  103.684  102.409   62.770   14.516   41.612   15.065 21.15833 20.92041 
1 1 1    3   21   12 o   34.697   10.904 -25.5680   96.201 -23.5923  132.257 -27.7876  140.185   34.319   15.227   35.074   15.613 -0.7553368 21.80871 
1 1 1    3   21   13 o   37.642   10.923   6.5561   97.036 -189.7884  154.740  133.809  124.574   29.555   14.193   45.729   16.607 -16.17438 21.84555 
1 1 1    3   23    0 o  149.961   7.5638  1680.34  125.416  985.442  204.888  2096.73  158.600  120.043   13.440  179.880   6.9430 -59.83662 15.12752 
1 1 1    3   23    1 o  112.719   11.015  1184.01  119.701  282.727  192.704  1750.25  152.741   61.290   20.776  164.147   7.3273 -102.8567 22.03033 
1 1 1    3   23    2 o  201.717   5.8737  2913.77  135.898  1811.06  214.159  3657.12  175.835  165.185   10.209  238.249   5.8116 -73.06390 11.74738 
1 1 1    3   23    3 o  264.347   4.6752  4438.95  153.239  4906.78  249.720  4156.38  194.076  274.881   7.1537  253.814   6.0212 21.06689 9.350387 
1 1 1    3   23    4 o  151.076   6.9546  1361.38  122.096  2493.82  208.411  769.610  150.657  195.034   8.4146  107.118   11.075 87.91620 13.90913 
1 1 1    3   23    5 o   24.135   8.5507 -379.5650  107.763 -406.1162  170.696 -361.9705  138.954   25.642   12.804   22.628   11.336 3.014042 17.10130 
1 1 1    3   23    6 o   37.607   11.199   29.700   95.310 -60.5678  147.056   95.083  125.155   33.588   15.366   41.625   16.295 -8.036999 22.39749 
1 1 1    3   23    7 o   52.499   12.641  201.873   97.382  198.345  172.182  203.532  118.083   52.584   19.455   52.414   16.147 0.1701279 25.28263 
1 1 1    3   23    8 o  121.279   7.5347  976.324  114.796  1133.89  179.090  866.433  149.563  129.241   10.912  113.316   10.393 15.92582 15.06941 
1 1 1    3   23    9 o   46.299   12.526  140.594  106.241   68.709  164.214  192.342  139.328   41.951   17.782   50.648   17.648 -8.697502 25.05289 
1 1 1    3   23   10 o   53.869   18.854  230.000  159.112  230.000  159.112   0.0000   0.0000   53.869   18.854  ?   ?       ?      ? 
1 1 1    4    0    3 f  481.510   4.0475 14729.90  349.905 14729.90  349.905 14729.90  349.905  481.510   5.7241  481.510   5.7241 -0.000000 0.000000 
1 1 1    4    0    4 o  425.734   3.6675 11515.09  280.321 11515.09  280.321 11515.09  280.321  425.734   5.1866  425.734   5.1866 -0.000000 0.000000 
1 1 1    4    0    7 o  187.112   2.3204  2225.25   77.921  2225.25   77.921  2225.25   77.921  187.112   3.2815  187.112   3.2815 -0.000000 0.000000 
1 1 1    4    0    9 o  185.381   2.3787  2184.44   79.135  2184.44   79.135  2184.44   79.135  185.381   3.3639  185.381   3.3639 -0.000000 0.000000 
1 1 1    4    0   10 f  396.930   3.5134 10010.28  250.366 10010.28  250.366 10010.28  250.366  396.930   4.9686  396.930   4.9686 -0.000000 0.000000 
1 1 1    4    0   11 o  1066.67   8.3824 72330.64  1605.36 72330.64  1605.36 72330.64  1605.36  1066.67   11.855  1066.67   11.855 -0.000000 0.000000 
1 1 1    4    0   12 o  165.623   2.4357  1744.14   72.380  1744.14   72.380  1744.14   72.380  165.623   3.4446  165.623   3.4446 -0.000000 0.000000 
1 1 1    4    0   13 o  117.076   2.8093  873.403   58.915  873.403   58.915  873.403   58.915  117.076   3.9730  117.076   3.9730 -0.000000 0.000000 
1 1 1    4    0   14 o  1307.01   10.207 108623.30  2395.21 108623.30  2395.21 108623.30  2395.21  1307.01   14.435  1307.01   14.435 -0.000000 0.000000 
1 1 1    4    0   16 o  1238.98   9.6965 97591.16  2157.00 97591.16  2157.00 97591.16  2157.00  1238.98   13.713  1238.98   13.713 -0.000000 0.000000 
1 1 1    4    0   17 o  235.114   3.0747  3513.90  129.728  3513.90  129.728  3513.90  129.728  235.114   4.3482  235.114   4.3482 -0.000000 0.000000 
1 1 1    4    0   18 o  482.707   4.1806 14804.30  362.297 14804.30  362.297 14804.30  362.297  482.707   5.9122  482.707   5.9122 -0.000000 0.000000 
1 1 1    4    0   19 o  452.997   3.9883 13038.63  324.354 13038.63  324.354 13038.63  324.354  452.997   5.6402  452.997   5.6402 -0.000000 0.000000 
1 1 1    4    0   20 o  280.673   3.0757  5006.82  154.952  5006.82  154.952  5006.82  154.952  280.673   4.3496  280.673   4.3496 -0.000000 0.000000 
1 1 1    4    0   21 o  131.383   3.4800  1101.18   81.850  1101.18   81.850  1101.18   81.850  131.383   4.9214  131.383   4.9214 -0.000000 0.000000 
1 1 1    4    0   22 o  244.270   3.1033  3794.14  136.042  3794.14  136.042  3794.14  136.042  244.270   4.3888  244.270   4.3888 -0.000000 0.000000 
1 1 1    4    0   23 o   16.034   7.7856 -50.8545   72.638 -50.8545   72.638 -50.8545   72.638   16.034   11.010   16.034   11.010 -0.000000 0.000000 
1 1 1    4    0   24 o   93.965   4.7580  570.056   79.348  570.056   79.348  570.056   79.348   93.965   6.7288   93.965   6.7288 -0.000000 0.000000 
1 1 1    4    0   25 o  138.006   3.9144  1216.62   96.664  1216.62   96.664  1216.62   96.664  138.006   5.5358  138.006   5.5358 -0.000000 0.000000 
1 1 1    4    0   26 o  452.428   4.1108 13024.86  333.895 13024.86  333.895 13024.86  333.895  452.428   5.8136  452.428   5.8136 -0.000000 0.000000 
1 1 1    4    0   27 o  332.388   3.6226  7030.58  216.139  7030.58  216.139  7030.58  216.139  332.388   5.1232  332.388   5.1232 -0.000000 0.000000 
1 1 1    4    0   28 o  200.872   3.9737  2573.33  143.098  2573.33  143.098  2573.33  143.098  200.872   5.6196  200.872   5.6196 -0.000000 0.000000 
1 1 1    4    0   29 o  225.257   3.5805  3233.06  144.682  3233.06  144.682  3233.06  144.682  225.257   5.0635  225.257   5.0635 -0.000000 0.000000 
1 1 1    4    0   30 o   57.364   17.123  307.998  178.124  307.998  178.124  307.998  178.124   57.364   24.215   57.364   24.215 -0.000000 0.000000 
1 1 1    4    0   31 o   30.824   13.929   25.324  172.232   25.324  172.232   25.324  172.232   30.824   19.698   30.824   19.698 -0.000000 0.000000 
1 1 1    4    0   32 o  143.671   7.4962  1359.49  190.999  1359.49  190.999  1359.49  190.999  143.671   10.601  143.671   10.601 -0.000000 0.000000 
1 1 1    4    0   33 o   21.322   10.543 -129.5955  149.629 -129.5955  149.629 -129.5955  149.629   21.322   14.911   21.322   14.911 -0.000000 0.000000 
1 1 1    4    0   34 o   49.013   15.034  243.739  136.749  243.739  136.749  243.739  136.749   49.013   21.262   49.013   21.262 -0.000000 0.000000 
1 1 1    4    2    0 f  787.800   7.6266 40078.98  738.943 42272.93  949.642 36711.83  1176.46  815.668   9.1679  759.933   12.191 55.73572 15.25321 
1 1 1    4    2    1 o  372.603   3.3196  8796.81  156.850  8459.69  214.848  9181.53  229.516  364.978   4.6354  380.229   4.7532 -15.25095 6.639287 
1 1 1    4    2    3 f  793.789   12.654 40063.43  1275.62 40063.43  1275.62   0.0000   0.0000  793.789   12.654  ?   ?       ?      ? 
1 1 1    4    2    4 o  598.727   6.9260 22770.25  526.416 23177.51  757.047 22388.97  732.489  603.904   9.8714  593.550   9.7178 10.35364 13.85202 
1 1 1    4    2    5 o  1039.62   16.359 68811.62  2159.76 68811.62  2159.76   0.0000   0.0000  1039.62   16.359  ?   ?       ?      ? 
1 1 1    4    2    6 o  877.954   9.8477 49051.53  1097.95 48930.13  1549.55 49173.93  1555.94  876.865   13.915  879.044   13.938 -2.178711 19.69539 
1 1 1    4    2    7 o  313.969   2.9689  6242.62  118.182  5948.28  161.605  6581.00  173.273  306.037   4.1582  321.901   4.2387 -15.86392 5.937764 
1 1 1    4    2    8 o  267.362   2.7099  4471.72   91.286  3988.55  120.338  5126.60  140.099  250.607   3.7812  284.117   3.8829 -33.51036 5.419855 
1 1 1    4    2    9 o  731.013   5.8770 33924.16  545.139 34851.28  790.512 33083.48  752.759  740.519   8.4061  721.508   8.2156 19.01068 11.75406 
1 1 1    4    2   10 o  582.596   4.7974 21539.86  354.665 20985.96  490.016 22149.27  513.986  574.742   6.7137  590.450   6.8547 -15.70807 9.594826 
1 1 1    4    2   11 o  397.055   3.5197 10012.75  177.470  9954.18  249.868 10072.37  252.108  395.884   4.9701  398.227   4.9852 -2.342865 7.039445 
1 1 1    4    2   12 o  123.089   2.5010  962.466   39.079  989.367   55.142  935.321   55.391  124.818   3.4788  121.360   3.5940 3.457611 5.001902 
1 1 1    4    2   13 o  890.525   7.0644 50396.50  798.765 49806.45  1116.85 51014.32  1142.84  885.196   9.9353  895.854   10.045 -10.65875 14.12874 
1 1 1    4    2   14 o  1052.06   8.2805 70372.05  1106.28 70614.63  1570.03 70132.85  1559.06  1053.85   11.731  1050.26   11.689 3.596069 16.56097 
1 1 1    4    2   15 o   93.789   4.1580  561.185   48.867  542.718   74.825  574.919   64.528   92.435   6.3743   95.143   5.3407 -2.707672 8.315906 
1 1 1    4    2   16 o  774.188   8.8120 38083.93  866.364   0.0000   0.0000 38083.93  866.364  ?   ?   774.188   8.8120      ?      ? 
1 1 1    4    2   17 o  523.192   4.4601 17380.61  296.256 17104.78  413.243 17672.29  424.941  518.924   6.2708  527.460   6.3440 -8.535950 8.920168 
1 1 1    4    2   18 o  693.628   5.6408 30563.40  496.801 30201.12  695.359 30941.13  710.035  689.433   7.9422  697.824   8.0123 -8.391235 11.28162 
1 1 1    4    2   19 o  271.650   3.0600  4686.52  105.558  4644.27  148.463  4729.71  150.112  270.412   4.3233  272.887   4.3317 -2.475647 6.119989 
1 1 1    4    2   20 o  224.789   2.9828  3207.17   85.102  3067.90  118.522  3355.39  122.270  219.755   4.2470  229.823   4.1894 -10.06747 5.965551 
1 1 1    4    2   21 o  261.420   3.0865  4342.70  102.434  4191.94  144.124  4496.59  145.614  256.833   4.4188  266.007   4.3105 -9.174347 6.173085 
1 1 1    4    2   22 o  224.190   3.7649  3211.92  102.294  3250.23  127.340  3142.21  171.762  226.134   4.4342  222.246   6.0858 3.888016 7.529881 
1 1 1    4    2   23 o  188.295   7.5149  2258.83  179.697  2258.83  179.697   0.0000   0.0000  188.295   7.5149  ?   ?       ?      ? 
1 1 1    4    2   24 o  386.590   4.4485  9515.13  192.191  9517.02  374.935  9514.46  223.835  386.363   7.6416  386.816   4.5567 -0.4529114 8.897003 
1 1 1    4    2   25 o  184.164   4.6730  2200.55   91.158  2090.01  189.847  2233.67  103.923  180.917   8.2632  187.411   4.3665 -6.493698 9.345941 
1 1 1    4    2   26 o  309.221   4.3429  6173.12  148.876  5931.55  290.989  6258.77  173.270  304.781   7.5181  313.661   4.3500 -8.880127 8.685884 
1 1 1    4    2   27 o  317.539   4.6312  6513.88  173.178  6216.98  305.673  6654.22  210.159  311.841   7.7188  323.237   5.1198 -11.39627 9.262349 
1 1 1    4    2   28 o   89.627   9.2913  447.846   91.222  679.013  198.771  386.168  102.673  101.827   15.371   77.428   10.442 24.39948 18.58265 
1 1 1    4    2   29 o  282.884   4.5883  5097.69  144.385  5151.23  284.217  5079.06  167.626  283.431   7.8963  282.337   4.6752 1.094177 9.176556 
1 1 1    4    2   30 o  197.119   5.3407  2553.71  115.750  2379.04  226.823  2615.21  134.595  191.862   9.3094  202.375   5.2371 -10.51318 10.68137 
1 1 1    4    2   31 f  125.392   7.9467  1162.96  100.008  812.876  202.864  1275.35  114.946  109.886   14.537  140.898   6.4241 -31.01131 15.89348 
1 1 1    4    2   32 o   61.619   12.670  145.279   98.898  583.278  224.052   39.287  110.217   87.364   20.540   35.873   14.840 51.49174 25.34031 
1 1 1    4    2   33 o   99.916   8.6160  580.331   94.799  919.116  205.356  488.583  106.867  114.313   14.146   85.519   9.8402 28.79428 17.23192 
1 1 1    4    2   34 o   57.568   17.949  268.379  145.406  268.379  145.406   0.0000   0.0000   57.568   17.949  ?   ?       ?      ? 
1 1 1    4    4    1 o  894.260   10.018 50846.16  1137.19 49915.32  1579.38 51848.27  1638.74  885.782   14.040  902.738   14.295 -16.95636 20.03667 
1 1 1    4    4    2 o  854.226   9.5949 46419.66  1040.85 46317.38  1469.11 46522.75  1474.87  853.283   13.558  855.170   13.581 -1.886902 19.18973 
1 1 1    4    4    4 o  1175.07   13.071 87851.91  1950.49 87851.91  1950.49   0.0000   0.0000  1175.07   13.071  ?   ?       ?      ? 
1 1 1    4    4    5 o  497.640   4.8818 15600.81  266.410 15471.82  306.571 15998.62  538.401  493.550   4.8913  501.730   8.4500 -8.180420 9.763590 
1 1 1    4    4    6 o  732.705   8.3384 34032.34  773.875 35755.39  1145.31 32584.80  1049.77  749.683   12.030  715.727   11.550 33.95618 16.67685 
1 1 1    4    4    7 o  438.998   5.4044 12197.40  300.495 12905.27  445.184 11604.96  407.270  450.645   7.7791  427.351   7.5045 23.29370 10.80883 
1 1 1    4    4    8 o  411.518   5.1531 10759.93  269.293 10796.49  382.193 10723.89  379.496  412.212   7.3010  410.825   7.2740 1.387207 10.30613 
1 1 1    4    4    9 o  410.216   7.2948 10691.76  380.017 10691.76  380.017   0.0000   0.0000  410.216   7.2948  ?   ?       ?      ? 
1 1 1    4    4   10 o  611.958   7.1086 23806.13  552.437 23773.88  780.763 23838.45  781.765  611.543   10.053  612.373   10.053 -0.8299561 14.21717 
1 1 1    4    4   11 o  655.472   6.1488 27668.07  452.963 26517.88  866.673 28100.33  531.304  645.844   10.567  665.100   6.2904 -19.25574 12.29755 
1 1 1    4    4   12 o  855.592   7.8862 46599.19  744.945 46432.16  1479.54 46655.91  862.209  854.279   13.638  856.904   7.9232 -2.624939 15.77248 
1 1 1    4    4   13 o  243.904   3.4284  3807.10   88.802  3725.55  185.844  3831.23  101.090  242.182   6.0427  245.625   3.2408 -3.442535 6.856874 
1 1 1    4    4   14 o  542.487   5.3157 18429.10  311.461 19203.95  646.190 18194.61  355.479  549.739   9.2561  535.235   5.2299 14.50330 10.63138 
1 1 1    4    4   15 f  786.729   7.3685 38801.09  626.542 40368.13  1298.00 38325.06  715.405  796.742   12.829  776.717   7.2529 20.02502 14.73696 
1 1 1    4    4   16 o  880.848   8.1805 48701.49  778.896 50528.96  1612.19 48145.05  889.609  891.199   14.245  870.497   8.0474 20.70160 16.36098 
1 1 1    4    4   17 o  426.554   4.5186 11550.31  211.371 11572.83  424.719 11542.90  243.694  426.785   7.8364  426.323   4.5012 0.4626160 9.037105 
1 1 1    4    4   18 o  341.409   4.0830  7398.77  151.151  7414.61  308.843  7393.79  173.327  341.612   7.1191  341.206   4.0001 0.4059143 8.165967 
1 1 1    4    4   19 o  279.681   3.8987  4904.47  115.713  5089.76  245.948  4851.79  131.132  282.979   6.8440  276.383   3.7361 6.596130 7.797369 
1 1 1    4    4   20 o   37.939   8.9781   91.241   54.089 -61.9701  121.524  129.092   60.402   31.755   14.304   44.123   10.854 -12.36786 17.95622 
1 1 1    4    4   21 o  243.528   3.8422  3667.92   99.698  3961.62  212.677  3585.21  112.868  249.515   6.7119  237.541   3.7416 11.97386 7.684340 
1 1 1    4    4   22 o  106.628   6.5895  745.790   64.397  695.976  161.044  755.271   70.258  104.270   12.162  108.986   5.0763 -4.715744 13.17896 
1 1 1    4    4   23 o  201.743   4.3510  2628.24   90.641  2525.98  196.186  2655.99  102.203  199.066   7.7606  204.419   3.9370 -5.353104 8.702072 
1 1 1    4    4   24 o   60.894   10.292  279.519   66.934  154.839  158.929  306.402   73.798   52.505   18.798   69.282   8.3877 -16.77740 20.58432 
1 1 1    4    4   25 o   65.578   9.9571  275.547   67.371  295.154  151.695  270.729   75.194   66.103   17.712   65.054   9.1020 1.048920 19.91423 
1 1 1    4    4   26 o  245.204   4.5169  3822.34  113.160  3854.88  251.396  3814.07  126.723  245.539   8.0623  244.869   4.0752 0.6703339 9.033716 
1 1 1    4    4   27 o  392.085   4.8150  9550.39  200.614 10309.06  429.189  9338.29  226.931  401.188   8.4241  382.983   4.6659 18.20557 9.629961 
1 1 1    4    4   28 o   41.084   11.541   71.421   84.317 -71.5633  188.974  106.962   94.215   39.993   17.941   42.176   14.522 -2.182835 23.08197 
1 1 1    4    4   29 o   46.869   11.175  146.447   85.688 -150.9438  206.454  208.338   94.183   38.409   17.799   55.329   13.519 -16.91959 22.35090 
1 1 1    4    4   30 o  333.301   4.7090  7140.19  166.829  7101.80  349.373  7151.54  189.875  331.779   8.2921  334.824   4.4655 -3.044800 9.418032 
1 1 1    4    4   31 o  204.491   5.3245  2708.43  113.688  2695.75  243.663  2711.96  128.536  203.124   9.4461  205.859   4.9167 -2.734863 10.64905 
1 1 1    4    4   32 o  247.742   5.7200  3863.63  161.073  4347.04  313.395  3690.09  187.772  256.434   9.6236  239.049   6.1854 17.38411 11.43998 
1 1 1    4    4   33 o  109.325   10.241  865.472  132.780  812.450  226.422  893.264  163.926  104.337   17.088  114.312   11.292 -9.975662 20.48240 
1 1 1    4    4   34 o  131.336   9.0045  1239.19  144.805  1217.62  235.147  1252.37  183.787  128.279   14.435  134.393   10.769 -6.114273 18.00902 
1 1 1    4    6    0 o  423.466   3.6874 11378.00  198.159 11718.33  286.844 11067.31  274.072  429.515   5.2588  417.417   5.1703 12.09875 7.374776 
1 1 1    4    6    1 o  188.735   2.4119  2256.53   57.713  2445.47   83.788  2085.97   79.608  196.234   3.3623  181.237   3.4589 14.99767 4.823750 
1 1 1    4    6    2 o  435.477   3.7699 12032.69  208.333 11707.61  288.048 12389.26  301.678  429.318   5.2833  441.636   5.3790 -12.31827 7.539710 
1 1 1    4    6    3 o  296.160   2.8947  5569.85  108.865  5499.96  152.954  5641.61  154.981  294.278   4.0929  298.043   4.0947 -3.765320 5.789474 
1 1 1    4    6    4 o  446.491   3.8436 12653.57  217.830 12366.57  302.370 12963.24  314.080  441.232   5.3963  451.749   5.4748 -10.51648 7.687180 
1 1 1    4    6    5 o  1115.33   12.404 78983.43  1751.45 83144.34  2603.01 75541.23  2367.55  1141.96   17.949  1088.70   17.124 53.26489 24.80759 
1 1 1    4    6    6 o  171.931   2.3536  1867.14   51.249  2034.48   75.810  1726.29   69.550  178.988   3.3352  164.874   3.3217 14.11368 4.707168 
1 1 1    4    6    7 o  1247.49   13.826 99231.02  2189.92 100450.60  3134.85 98068.59  3060.52  1254.94   19.670  1240.04   19.435 14.90222 27.65213 
1 1 1    4    6    8 o  974.784   10.899 60495.83  1349.17 60606.48  1912.39 60386.19  1903.69  975.668   15.435  973.901   15.392 1.767639 21.79792 
1 1 1    4    6    9 o  427.782   5.3518 11606.67  290.450 11169.94  400.092 12093.29  422.326  419.291   7.5139  436.273   7.6227 -16.98212 10.70352 
1 1 1    4    6   10 o  366.072   4.8799  8483.63  226.267  8912.03  334.935  8123.99  306.883  374.539   7.0418  357.605   6.7576 16.93463 9.759731 
1 1 1    4    6   11 o  1642.64   18.132 172410.00  3780.95 175308.09  5436.37 169694.80  5262.04  1655.91   25.852  1629.36   25.431 26.54651 36.26361 
1 1 1    4    6   12 o  876.962   9.8784 48917.19  1100.05 49242.58  1567.08 48601.07  1544.58  879.831   14.025  874.094   13.915 5.737244 19.75679 
1 1 1    4    6   13 o  666.116   7.7531 28162.40  655.085 29021.96  954.547 27397.15  900.660  675.699   11.124  656.533   10.803 19.16663 15.50618 
1 1 1    4    6   14 o  845.058   9.5921 45404.43  1029.18 44746.83  1438.17 46094.67  1473.44  838.795   13.501  851.321   13.629 -12.52600 19.18419 
1 1 1    4    6   15 o  716.936   8.2818 32678.59  753.986 32783.86  1071.88 32575.49  1060.80  718.075   11.754  715.796   11.670 2.278809 16.56355 
1 1 1    4    6   16 o  817.248   7.6385 42385.49  691.849 42614.73  1369.23 42306.90  801.723  818.486   13.173  816.010   7.7366 2.475708 15.27694 
1 1 1    4    6   17 o  532.188   5.2892 18121.03  310.261 17746.64  615.117 18248.78  359.318  528.377   9.1672  535.998   5.2788 -7.621338 10.57845 
1 1 1    4    6   18 o  176.519   4.2139  1980.10   65.745  1980.04  175.053  1980.11   70.939  176.466   7.8114  176.572   3.1636 -0.1055603 8.427737 
1 1 1    4    6   19 o  190.330   4.2580  2424.59   73.245  2133.28  183.640  2479.70   79.873  183.081   7.8986  197.580   3.1833 -14.49953 8.515909 
1 1 1    4    6   20 f  311.220   4.0095  6250.35  130.001  6000.72  277.967  6320.24  147.078  307.046   7.1287  315.394   3.6721 -8.348297 8.018935 
1 1 1    4    6   21 o  482.625   5.0262 14722.24  258.758 15031.55  543.583 14631.61  294.233  485.521   8.8162  479.729   4.8297 5.792480 10.05240 
1 1 1    4    6   22 o  215.593   4.1143  2905.57   85.706  3038.58  206.717  2877.96   94.182  218.371   7.4542  212.814   3.4849 5.557007 8.228615 
1 1 1    4    6   23 o  165.621   4.9954  1713.45   81.380  1803.48  192.079  1693.76   89.842  168.031   9.0015  163.212   4.3346 4.819351 9.990772 
1 1 1    4    6   24 o  130.695   5.8152  1134.73   66.075  1031.44  174.794  1151.95   71.371  126.801   10.855  134.590   4.1757 -7.789085 11.63038 
1 1 1    4    6   25 o  184.719   5.0191  2207.49   82.928  2136.16  215.578  2219.87   89.841  182.599   9.2967  186.839   3.7864 -4.239578 10.03819 
1 1 1    4    6   26 o  206.043   4.9986  2597.61  108.686  2919.23  236.995  2511.95  122.306  213.461   8.7427  198.624   4.8488 14.83638 9.997267 
1 1 1    4    6   27 o  200.066   5.1757  2557.40   94.333  2563.55  241.865  2556.30  102.446  199.705   9.5369  200.427   4.0250 -0.7221832 10.35146 
1 1 1    4    6   28 o   73.356   10.994  422.901   72.353  263.309  191.971  449.325   78.113   62.959   20.725   83.754   7.3442 -20.79478 21.98791 
1 1 1    4    6   29 o  186.490   5.6531  2252.53   93.164  2217.42  246.170  2258.40  100.651  184.738   10.493  188.241   4.2104 -3.503311 11.30625 
1 1 1    4    6   30 o   56.740   11.875  185.170   75.294  311.748  177.599  157.433   83.136   65.652   19.717   47.828   13.238 17.82439 23.74907 
1 1 1    4    6   31 o   83.332   13.437  513.520  136.791  554.487  217.343  486.647  176.029   85.212   20.363   81.452   17.537 3.760330 26.87311 
1 1 1    4    6   32 o   42.137   12.139   62.125  112.430 -102.8008  181.236  165.301  143.346   35.435   16.507   48.839   17.802 -13.40451 24.27749 
1 1 1    4    6   33 o   52.804   13.911  162.914  121.315  394.233  220.391   62.354  145.311   66.061   22.219   39.547   16.743 26.51365 27.82155 
1 1 1    4    8    0 o  217.670   2.6082  3001.90   72.010  3159.96  105.012  2861.60   98.934  223.065   3.7071  212.274   3.6701 10.79128 5.216479 
1 1 1    4    8    1 o   97.486   2.9002  604.340   35.853  584.366   51.546  623.061   49.902   95.923   4.2315   99.049   3.9672 -3.126205 5.800391 
1 1 1    4    8    2 o  672.860   5.4557 28763.40  466.126 28996.76  665.002 28538.02  653.551  675.540   7.7517  670.179   7.6791 5.360657 10.91132 
1 1 1    4    8    3 o  420.647   3.6922 11231.69  197.141 11460.45  284.088 11019.20  273.795  424.775   5.2664  416.520   5.1762 8.255341 7.384336 
1 1 1    4    8    4 o  669.842   5.4349 28485.68  462.061 27850.86  640.517 29174.51  667.205  662.070   7.6181  677.613   7.7535 -15.54248 10.86983 
1 1 1    4    8    5 o  282.557   2.8809  5066.30  103.332  4905.41  143.805  5238.05  148.578  277.923   4.0745  287.191   4.0739 -9.268463 5.761745 
1 1 1    4    8    6 o  156.051   2.5069  1545.32   49.641  1574.41   71.881  1518.79   68.638  157.454   3.5948  154.649   3.4950 2.805389 5.013742 
1 1 1    4    8    7 o  251.645   2.7701  4022.23   88.502  3922.87  125.185  4121.50  125.137  248.537   3.9663  254.753   3.8680 -6.215591 5.540105 
1 1 1    4    8    8 o  217.304   2.6743  2989.66   73.651  3138.91  108.444  2861.88  100.343  222.322   3.8410  212.286   3.7221 10.03612 5.348592 
1 1 1    4    8    9 o  680.421   5.5794 29406.11  482.004 29013.25  673.339 29819.00  690.291  675.764   7.8462  685.079   7.9344 -9.314697 11.15876 
1 1 1    4    8   10 f  127.427   4.0883  1020.95   53.677  1013.67   60.200  1049.17  118.563  126.342   3.7521  128.513   7.2648 -2.170952 8.176554 
1 1 1    4    8   11 o  545.432   6.5971 18881.87  456.494 19390.77  663.677 18424.92  628.887  552.393   9.4609  538.472   9.1967 13.92114 13.19421 
1 1 1    4    8   12 o  625.925   7.4102 24897.54  588.925 25093.68  841.885 24709.58  824.130  628.335   10.551  623.516   10.408 4.819031 14.82048 
1 1 1    4    8   13 o  716.845   8.3054 32639.05  755.497 33467.13  1094.58 31885.61  1044.08  725.509   11.880  708.180   11.609 17.32825 16.61085 
1 1 1    4    8   14 o  562.742   6.7975 20127.02  485.749 20124.73  690.352 20129.27  683.603  562.707   9.6607  562.776   9.5651 -0.6866455E-01 13.59492 
1 1 1    4    8   15 o  437.541   5.7089 12167.79  317.152 11975.77  450.410 12356.62  446.655  434.112   8.1701  440.970   7.9760 -6.857086 11.41786 
1 1 1    4    8   16 o  663.940   7.7848 28048.25  656.266 28247.81  937.998 27856.90  918.510  666.242   11.086  661.637   10.932 4.605469 15.56954 
1 1 1    4    8   17 o  348.116   5.1100  7708.29  225.851  7513.27  319.344  7903.45  319.460  343.703   7.3164  352.529   7.1358 -8.825928 10.22007 
1 1 1    4    8   18 o  623.509   7.4099 24804.49  586.711 24718.10  831.215 24890.27  828.261  622.417   10.516  624.602   10.442 -2.185242 14.81975 
1 1 1    4    8   19 o  247.589   4.8941  3905.72  153.433  3846.27  224.795  3957.58  209.940  245.799   7.2016  249.379   6.6291 -3.580658 9.788192 
1 1 1    4    8   20 o   47.765   12.208  123.632   94.886  106.890  144.099  136.448  126.077   47.125   17.725   48.405   16.792 -1.280331 24.41647 
1 1 1    4    8   21 o  203.598   4.9351  2639.08  127.446  2669.26  185.255  2611.96  175.604  204.688   7.1269  202.507   6.8284 2.180923 9.870108 
1 1 1    4    8   22 o  273.862   5.0902  4712.13  174.936  5219.20  273.806  4362.37  227.400  286.080   7.5366  261.644   6.8439 24.43549 10.18034 
1 1 1    4    8   23 o   44.117   12.598   60.808  108.548   24.875  171.251   84.940  140.342   43.610   18.304   44.625   17.314 -1.015141 25.19570 
1 1 1    4    8   24 o  239.462   5.0509  3644.98  152.251  3776.51  232.917  3546.85  201.184  243.143   7.5433  235.781   6.7190 7.362671 10.10182 
1 1 1    4    8   25 o  297.021   5.5201  5682.63  205.638  5356.32  311.199  5935.55  273.976  289.207   8.4733  304.834   7.0774 -15.62744 11.04018 
1 1 1    4    8   26 o  249.135   5.2922  3974.73  165.363  3948.39  254.155  3994.06  217.759  248.267   8.0612  250.003   6.8589 -1.735168 10.58431 
1 1 1    4    8   27 f   48.828   13.565  104.443  123.343   75.944  183.611  127.881  166.508   47.656   19.370   50.000   18.996 -2.343712 27.13063 
1 1 1    4    8   28 f   59.447   14.656  227.623  131.391  222.639  226.771  230.142  161.208   60.488   22.337   58.407   18.981 2.081841 29.31231 
1 1 1    4    8   29 f  144.129   7.4906  1370.54  134.126  1312.16  210.024  1410.74  174.297  141.015   11.728  147.243   9.3213 -6.228165 14.98111 
1 1 1    4    8   30 o  137.329   9.0601  1319.52  150.490  1076.35  237.027  1483.73  194.786  124.841   14.951  149.815   10.238 -24.97392 18.12026 
1 1 1    4    8   31 o   90.616   11.344  591.303  126.597  721.056  188.063  483.784  171.194  101.076   14.651   80.156   17.323 20.92006 22.68824 
1 1 1    4    8   32 o   49.685   14.185  146.858  136.351  269.458  220.968   71.471  173.274   57.004   21.829   42.366   18.121 14.63850 28.37034 
1 1 1    4   10    0 o  466.115   4.0234 13791.04  238.040 14071.41  343.210 13531.16  330.431  470.675   5.7420  461.554   5.6374 9.121124 8.046788 
1 1 1    4   10    1 o  277.915   2.9189  4903.02  102.995  4782.02  143.995  5029.77  147.379  274.406   4.1321  281.425   4.1238 -7.018646 5.837832 
1 1 1    4   10    2 o  301.013   3.0437  5753.90  116.307  5771.44  166.879  5737.34  162.188  301.458   4.3591  300.567   4.2491 0.8904419 6.087431 
1 1 1    4   10    3 o  311.242   3.0999  6145.09  122.411  6306.85  177.805  5999.34  168.779  315.130   4.4430  307.353   4.3242 7.777069 6.199882 
1 1 1    4   10    4 o  485.050   4.1579 14940.67  256.071 15101.65  366.385 14786.93  358.038  487.603   5.9169  482.497   5.8433 5.105591 8.315860 
1 1 1    4   10    5 o  855.985   6.8162 46562.54  740.925 46752.35  1052.38 46375.97  1043.33  857.713   9.6617  854.257   9.6174 3.456116 13.63238 
1 1 1    4   10    6 o  945.117   7.4886 56770.16  898.760 57065.54  1278.41 56481.50  1263.79  947.545   10.624  942.689   10.557 4.855469 14.97719 
1 1 1    4   10    7 o  627.630   5.1775 24998.81  412.340 25639.36  597.629 24416.85  569.649  635.291   7.4077  619.968   7.2354 15.32355 10.35491 
1 1 1    4   10    8 o  584.548   4.8845 21704.22  362.567 21829.55  516.439 21582.41  509.134  586.211   6.9372  582.885   6.8781 3.325745 9.769047 
1 1 1    4   10    9 o  976.727   7.7555 60642.56  961.966 60623.86  1360.77 60661.25  1360.08  976.576   10.972  976.878   10.963 -0.3021240 15.51096 
1 1 1    4   10   10 o  613.609   5.1073 23914.34  397.916 24179.12  568.867 23660.67  556.803  616.932   7.2610  610.285   7.1844 6.646667 10.21458 
1 1 1    4   10   11 o  895.877   7.2072 51001.48  819.793 50369.80  1145.29 51665.17  1173.96  890.196   10.131  901.558   10.254 -11.36255 14.41448 
1 1 1    4   10   12 o  475.332   5.2071 14508.98  302.592 14952.86  382.767 13769.34  494.097  485.170   6.2124  465.492   8.3584 19.67795 10.41427 
1 1 1    4   10   13 o  352.036   5.2096  7878.45  232.783  7607.10  329.789  8147.89  328.625  345.987   7.5058  358.085   7.2266 -12.09766 10.41929 
1 1 1    4   10   14 o  688.754   8.0217 30165.02  700.846 31067.77  1020.67 29359.65  964.044  698.463   11.507  679.046   11.179 19.41644 16.04346 
1 1 1    4   10   15 o  351.103   5.1018  7844.56  227.367  7593.19  322.436  8093.19  320.664  345.495   7.3489  356.712   7.0787 -11.21735 10.20368 
1 1 1    4   10   16 o  457.941   5.8765 13355.45  341.668 13422.59  489.051 13291.43  477.539  459.052   8.3891  456.830   8.2314 2.221680 11.75302 
1 1 1    4   10   17 o  282.395   4.8453  5074.66  173.705  5110.47  249.257  5040.85  242.206  283.357   6.9269  281.434   6.7769 1.922363 9.690590 
1 1 1    4   10   18 o  207.746   5.0565  2751.80  133.193  2671.33  192.041  2826.39  184.890  204.796   7.3840  210.696   6.9100 -5.900009 10.11297 
1 1 1    4   10   19 o  156.304   5.9670  1540.23  117.744  1749.68  178.283  1378.21  156.806  165.616   8.4768  146.993   8.4001 18.62244 11.93393 
1 1 1    4   10   20 o  107.050   7.8527  732.485  105.960  748.291  160.654  720.315  140.968  108.016   11.712  106.085   10.464 1.931831 15.70537 
1 1 1    4   10   21 o   55.399   12.055  149.363  102.521  355.936  164.989   19.435  130.849   72.483   18.005   38.315   16.036 34.16772 24.11075 
1 1 1    4   10   22 o  250.719   5.2035  4007.92  164.634  4057.14  247.760  3969.01  220.306  252.024   7.7413  249.415   6.9555 2.609146 10.40702 
1 1 1    4   10   23 o  393.461   5.5930  9899.98  279.305  9880.11  401.611  9918.59  388.698  393.030   8.0464  393.891   7.7707 -0.8610229 11.18606 
1 1 1    4   10   24 o   59.503   19.001  232.695  162.057   0.0000   0.0000  232.695  162.057  ?   ?    59.503   19.001      ?      ? 
1 1 1    4   10   25 o  201.321   5.9078  2571.48  146.299  2711.39  241.478  2490.35  183.889  205.370   9.2590  197.272   7.3403 8.098236 11.81558 
1 1 1    4   10   26 o  186.472   6.3966  2256.60  147.324  2166.12  234.951  2315.23  189.123  183.034   10.108  189.909   7.8419 -6.874939 12.79327 
1 1 1    4   10   27 o  179.151   6.1373  2030.19  137.542  2321.86  218.604  1839.07  176.959  189.434   9.0871  168.869   8.2517 20.56503 12.27460 
1 1 1    4   10   28 o  150.639   8.0617  1532.75  148.681  1346.33  234.949  1657.27  192.022  141.928   13.035  159.350   9.4890 -17.42206 16.12340 
1 1 1    4   10   29 o   63.222   16.043  300.397  165.102  252.186  238.642  344.659  228.657   59.895   22.745   66.548   22.631 -6.652737 32.08586 
1 1 1    4   10   30 o   42.566   13.162   29.118  132.264   74.530  210.264  -0.6162  170.142   46.183   19.863   38.949   17.276 7.233669 26.32479 
1 1 1    4   12    0 o  1135.73   8.9321 82000.47  1287.97 83066.68  1845.28 80987.55  1798.56  1142.91   12.714  1128.54   12.550 14.37219 17.86417 
1 1 1    4   12    1 o  512.838   5.4034 16979.61  339.551 17837.21  433.430 15617.04  546.329  529.914   6.4407  495.761   8.6777 34.15274 10.80673 
1 1 1    4   12    2 o  390.997   4.6735  9360.34  209.294 10522.93  403.461  8932.30  244.809  406.976   7.8065  375.019   5.1404 31.95679 9.346909 
1 1 1    4   12    3 o  439.739   3.9747 12282.46  221.950 12200.88  314.543 12363.35  313.231  438.284   5.6513  441.194   5.5906 -2.909851 7.949327 
1 1 1    4   12    4 o  605.388   5.0378 23279.01  387.275 23019.46  543.577 23546.55  551.896  601.962   7.1107  608.814   7.1383 -6.851563 10.07561 
1 1 1    4   12    5 o  709.548   5.7692 31973.77  519.698 31404.16  724.367 32577.97  746.040  703.042   8.1133  716.055   8.2042 -13.01337 11.53845 
1 1 1    4   12    6 o  148.259   3.4255  1394.97   64.347  1411.10   94.494  1381.02   87.867  149.056   4.9920  147.461   4.6921 1.595230 6.851015 
1 1 1    4   12    7 o  791.363   6.3675 39773.82  639.585 40557.29  922.421 39048.38  887.604  798.857   9.0925  783.869   8.9166 14.98804 12.73493 
1 1 1    4   12    8 o  473.593   4.1584 14235.68  249.916 14537.99  361.756 13959.66  345.664  478.397   5.9546  468.789   5.8063 9.607361 8.316833 
1 1 1    4   12    9 o  723.479   5.8824 33246.73  540.183 33893.88  778.929 32647.13  749.774  730.250   8.3994  716.707   8.2378 13.54309 11.76484 
1 1 1    4   12   10 o  249.580   3.0562  3961.08   96.753  3782.56  137.841  4134.47  135.841  244.027   4.4480  255.132   4.1926 -11.10442 6.112488 
1 1 1    4   12   11 o  432.736   3.8854 11900.50  213.503 11842.58  303.301 11957.40  300.595  431.690   5.5325  433.782   5.4567 -2.092438 7.770778 
1 1 1    4   12   12 o  292.927   3.1524  5451.66  117.149  5466.06  169.620  5438.52  161.990  293.292   4.5541  292.561   4.3601 0.7306213 6.304730 
1 1 1    4   12   13 o  247.156   2.9595  3883.27   92.831  3835.18  133.204  3928.68  129.441  245.664   4.2697  248.649   4.0993 -2.984451 5.919002 
1 1 1    4   12   14 o  171.486   5.4626  1871.15  118.865  1910.37  172.265  1835.52  164.224  173.192   7.8323  169.779   7.6168 3.412994 10.92526 
1 1 1    4   12   15 o  543.447   6.6753 18834.37  460.467 19121.08  663.441 18567.89  639.611  547.407   9.5436  539.487   9.3359 7.919312 13.35067 
1 1 1    4   12   16 o  549.084   6.7138 19240.37  468.049 18760.21  654.354 19743.40  669.757  542.069   9.5056  556.099   9.4839 -14.02997 13.42763 
1 1 1    4   12   17 o  185.738   5.5713  2208.31  129.411  2148.60  199.838  2251.45  169.832  183.495   8.5758  187.981   7.1142 -4.485718 11.14257 
1 1 1    4   12   18 o  211.628   5.3149  2847.37  141.395  2915.76  217.017  2796.92  186.385  213.770   7.9941  209.486   7.0062 4.283783 10.62978 
1 1 1    4   12   19 o  409.132   5.6426 10690.50  293.059 10572.46  418.915 10803.65  410.121  406.883   8.1074  411.380   7.8504 -4.497925 11.28528 
1 1 1    4   12   20 o   42.689   11.773   8.8570  111.576 -241.7809  175.237  179.743  144.696   31.651   15.174   53.728   18.004 -22.07719 23.54586 
1 1 1    4   12   21 o   77.545   12.105  399.334  115.737  505.658  177.258  320.323  152.804   86.528   16.737   68.561   17.493 17.96683 24.20984 
1 1 1    4   12   22 f  180.825   7.0237  2117.77  158.762  2006.94  243.471  2199.75  209.408  176.458   10.865  185.192   8.9041 -8.734680 14.04747 
1 1 1    4   12   23 o  199.337   6.0221  2550.29  152.361  2485.75  217.173  2612.85  213.807  196.811   8.6892  201.864   8.3404 -5.052811 12.04423 
1 1 1    4   12   24 o  138.221   8.0258  1245.38  139.665  1188.33  208.778  1291.59  187.900  135.123   12.167  141.320   10.470 -6.196884 16.05156 
1 1 1    4   12   25 o   35.832   11.619 -121.0055  124.341 -301.7039  204.852 -15.5977  156.459   33.066   15.991   38.598   16.862 -5.532715 23.23881 
1 1 1    4   12   26 o   56.667   21.050  199.413  201.976  199.413  201.976   0.0000   0.0000   56.667   21.050  ?   ?       ?      ? 
1 1 1    4   12   27 o  133.071   8.7368  1172.65  146.603  1377.91  221.245  1011.98  195.746  143.438   12.146  122.703   12.562 20.73447 17.47363 
1 1 1    4   14    0 o  158.005   4.2039  1568.66   81.280  1522.88  101.413  1650.89  135.911  154.830   5.1578  161.180   6.6399 -6.350830 8.407807 
1 1 1    4   14    1 o  344.034   3.4335  7515.18  149.961  7259.56  209.777  7782.33  214.455  338.053   4.8865  350.016   4.8247 -11.96228 6.866985 
1 1 1    4   14    2 o   74.019   6.8866  342.855   58.155  571.763   91.397  187.131   75.384   94.839   7.5887   53.199   11.494 41.64014 13.77321 
1 1 1    4   14    3 o  362.430   3.5277  8328.38  162.203  7913.40  223.716  8788.28  235.517  352.930   4.9915  371.929   4.9864 -18.99826 7.055418 
1 1 1    4   14    4 o  126.236   3.8843  1014.31   62.164  962.661   88.868  1063.80   86.988  123.080   5.6857  129.392   5.2939 -6.311066 7.768646 
1 1 1    4   14    5 o  108.640   4.3636  743.799   59.558  792.654   92.328  708.981   77.944  111.662   6.5110  105.617   5.8113 6.044914 8.727201 
1 1 1    4   14    6 o  188.663   3.2265  2261.38   77.210  2266.67  112.027  2256.60  106.561  188.870   4.6707  188.456   4.4526 0.4138031 6.452989 
1 1 1    4   14    7 o  247.151   3.1171  3886.36   97.664  3784.29  141.210  3979.95  135.221  244.030   4.5566  250.272   4.2546 -6.241989 6.234110 
1 1 1    4   14    8 o  567.603   4.7960 20498.38  345.690 20474.34  490.958 20522.01  486.827  567.268   6.8152  567.939   6.7499 -0.6710815 9.592062 
1 1 1    4   14    9 o  379.623   3.6188  9162.86  174.423  9113.63  248.877  9210.38  244.524  378.615   5.1762  380.630   5.0587 -2.015106 7.237640 
1 1 1    4   14   10 o  201.704   3.0460  2579.90   77.791  2658.00  115.213  2514.47  105.459  204.498   4.4364  198.911   4.1749 5.586975 6.091941 
1 1 1    4   14   11 f  184.612   2.9971  2164.25   70.135  2196.25  102.686  2136.27   96.020  185.885   4.3500  183.339   4.1241 2.546066 5.994227 
1 1 1    4   14   12 o  314.567   3.2656  6291.22  130.422  6278.35  186.340  6303.58  182.606  314.247   4.6694  314.887   4.5665 -0.6395264 6.531129 
1 1 1    4   14   13 o  179.407   4.2089  2046.08   95.894  2046.08   95.894   0.0000   0.0000  179.407   4.2089  ?   ?       ?      ? 
1 1 1    4   14   14 o   75.498   4.0065  364.640   38.129  344.631   56.555  381.312   51.626   73.578   6.0527   77.419   5.2510 -3.841133 8.012972 
1 1 1    4   14   15 o  312.275   4.0138  6292.62  137.443  6379.15  159.061  6037.60  273.063  316.771   3.9540  307.779   6.9863 8.991272 8.027610 
1 1 1    4   14   16 o  195.213   5.4913  2450.17  133.101  2343.64  209.145  2522.69  172.554  191.505   8.5998  198.920   6.8308 -7.415329 10.98254 
1 1 1    4   14   17 o  239.494   5.1200  3670.19  154.563  3578.77  231.574  3743.63  207.562  236.716   7.7034  242.271   6.7463 -5.555054 10.23990 
1 1 1    4   14   18 o  101.488   8.8504  642.467  112.097  812.858  178.913  532.352  143.827  112.182   12.559   90.795   12.474 21.38627 17.70071 
1 1 1    4   14   19 f  149.704   8.4110  1512.93  151.611  1187.70  239.686  1729.84  195.746  135.210   13.959  164.198   9.3875 -28.98793 16.82203 
1 1 1    4   14   20 o  173.821   6.5685  1953.09  142.218  1871.18  221.355  2010.66  185.591  170.489   10.224  177.152   8.2496 -6.662872 13.13708 
1 1 1    4   14   21 o   34.841   11.356 -118.0801  116.967 -185.4922  180.475 -69.2562  153.591   34.087   16.067   35.595   16.053 -1.507980 22.71262 
1 1 1    4   14   22 o  239.674   5.7464  3689.89  173.515  3695.40  262.412  3685.60  231.297  239.657   8.6222  239.691   7.5987 -0.3350830E-01 11.49271 
1 1 1    4   14   23 o  173.893   6.7110  1988.21  144.887  1789.46  222.976  2133.46  190.612  165.841   10.587  181.945   8.2496 -16.10329 13.42192 
1 1 1    4   14   24 o  131.456   10.271  1130.08  171.465   0.0000   0.0000  1130.08  171.465  ?   ?   131.456   10.271      ?      ? 
1 1 1    4   16    0 o  361.463   3.5531  8300.15  162.929  8452.88  236.753  8162.74  224.562  364.611   5.1132  358.315   4.9351 6.295288 7.106280 
1 1 1    4   16    1 o  174.525   3.4610  1949.67   76.178  1772.75  110.958  2107.43  104.772  166.968   5.2329  182.082   4.5311 -15.11319 6.922033 
1 1 1    4   16    2 o  711.000   5.8172 32200.45  525.031 32712.47  755.334 31721.79  730.310  716.442   8.3020  705.557   8.1507 10.88495 11.63431 
1 1 1    4   16    3 f  407.996   3.8030 10586.89  197.032 10477.87  279.025 10695.32  278.267  405.896   5.4132  410.095   5.3432 -4.198700 7.606036 
1 1 1    4   16    4 o   64.392   6.9852  262.050   56.764  288.641   86.376  241.837   75.310   67.230   10.117   61.555   9.6341 5.675255 13.97035 
1 1 1    4   16    5 o   48.240   8.2872  160.869   56.864   42.095   88.154  245.506   74.416   34.459   13.618   62.020   9.4482 -27.56137 16.57447 
1 1 1    4   16    6 o  295.540   3.3176  5551.06  124.417  5251.00  174.086  5864.33  177.878  287.374   4.7702  303.707   4.6120 -16.33344 6.635196 
1 1 1    4   16    7 o  274.610   3.2690  4795.56  113.676  4784.56  167.097  4805.04  155.098  274.302   4.7969  274.918   4.4425 -0.6152039 6.538035 
1 1 1    4   16    8 o  374.228   4.5012  9027.04  203.690  9295.58  254.163  8544.91  340.558  382.268   5.2356  366.188   7.3233 16.07971 9.002388 
1 1 1    4   16    9 o   65.961   6.7794  278.298   56.243  276.254   85.494  279.857   74.678   65.717   10.244   66.204   8.8824 -0.4876404 13.55883 
1 1 1    4   16   10 o  219.919   3.1925  3064.04   88.940  3237.40  131.560  2918.13  120.700  225.620   4.5917  214.218   4.4368 11.40248 6.385032 
1 1 1    4   16   11 o  130.669   3.6368  1089.17   60.155  1046.27   87.598  1127.46   82.754  128.214   5.3800  133.123   4.8950 -4.908325 7.273614 
1 1 1    4   16   12 o  172.019   3.2626  1884.90   71.139  1836.16  103.020  1929.33   98.353  169.880   4.7753  174.159   4.4470 -4.279724 6.525291 
1 1 1    4   16   13 o  295.852   3.2995  5571.37  123.914  5496.39  177.105  5643.27  173.434  293.891   4.7453  297.814   4.5858 -3.922546 6.599057 
1 1 1    4   16   14 f   63.956   5.9858  259.063   48.101  279.323   74.661  244.687   62.892   66.047   8.9016   61.866   8.0051 4.180702 11.97166 
1 1 1    4   16   15 o  175.359   3.2750  1961.63   72.759  1874.91  105.061  2041.55  100.860  171.609   4.8209  179.109   4.4343 -7.500443 6.550098 
1 1 1    4   16   16 o  377.342   5.0579  9408.05  232.553 10508.64  301.380  7788.40  365.607  405.947   5.8461  348.738   8.2554 57.20901 10.11576 
1 1 1    4   16   17 o  233.930   5.7478  3473.90  169.282  3740.52  260.390  3278.72  222.787  241.539   8.4890  226.320   7.7516 15.21950 11.49568 
1 1 1    4   16   18 o  261.139   5.5357  4376.77  183.075  4264.04  266.943  4476.89  251.556  257.858   8.1519  264.419   7.4914 -6.560760 11.07137 
1 1 1    4   16   19 o  102.936   10.556  701.945  136.323  678.897  207.350  719.493  180.920  101.112   16.148  104.760   13.599 -3.648422 21.11162 
1 1 1    4   16   20 o  151.195   7.8611  1522.68  146.762  1306.34  225.215  1682.35  193.484  141.118   12.567  161.272   9.4473 -20.15446 15.72216 
1 1 1    4   16   21 o  185.758   8.4104  2231.40  198.401   0.0000   0.0000  2231.40  198.401  ?   ?   185.758   8.4104      ?      ? 
1 1 1    4   18    0 o  250.780   3.4204  3985.32  108.332  4146.48  163.237  3858.48  144.819  255.272   5.0355  246.288   4.6303 8.984177 6.840701 
1 1 1    4   18    1 o  315.841   3.4907  6348.34  139.980  6208.10  198.252  6487.77  197.673  312.354   4.9980  319.328   4.8745 -6.974457 6.981441 
1 1 1    4   18    2 o  176.638   3.7624  1999.73   83.545  1874.50  125.085  2100.59  112.254  171.576   5.7408  181.700   4.8648 -10.12488 7.524830 
1 1 1    4   18    3 o  114.129   5.1218  838.952   73.410  761.639  109.033  903.060   99.286  109.226   7.8606  119.032   6.5682 -9.805923 10.24352 
1 1 1    4   18    4 o  242.203   3.4183  3736.88  104.818  3676.12  153.702  3789.71  143.313  240.339   5.0359  244.067   4.6238 -3.728638 6.836643 
1 1 1    4   18    5 o  364.081   3.7179  8424.16  171.481  8636.58  252.712  8242.89  233.454  368.301   5.4031  359.861   5.1084 8.439972 7.435722 
1 1 1    4   18    6 o  149.867   4.0882  1450.96   76.682  1264.04  113.530  1607.77  103.987  140.816   6.3486  158.919   5.1526 -18.10254 8.176453 
1 1 1    4   18    7 o   78.664   6.6516  397.730   65.202  389.752  102.027  403.237   84.771   77.924   10.310   79.404   8.4068 -1.479874 13.30317 
1 1 1    4   18    8 o  125.591   4.5651  1006.39   72.185  1003.01  109.372  1008.99   96.085  125.367   6.8698  125.814   6.0138 -0.4471283 9.130145 
1 1 1    4   18    9 o  224.832   3.5029  3224.47   99.825  3079.24  143.449  3360.83  139.003  219.891   5.1370  229.773   4.7637 -9.881973 7.005867 
1 1 1    4   18   10 o   97.863   6.2010  614.179   76.403  608.841  115.594  618.319  101.813   97.427   9.3429   98.300   8.1559 -0.8734360 12.40197 
1 1 1    4   18   12 o  278.001   4.8164  4922.30  170.037   0.0000   0.0000  4922.30  170.037  ?   ?   278.001   4.8164      ?      ? 
1 1 1    4   18   13 o  316.940   3.5189  6404.96  141.434  6305.87  204.584  6495.67  195.745  314.558   5.1215  319.322   4.8271 -4.764221 7.037743 
1 1 1    4   18   14 o  347.178   3.6400  7685.01  160.291  7675.94  232.403  7693.24  221.370  346.947   5.2747  347.409   5.0177 -0.4613647 7.280083 
1 1 1    4   18   15 o  224.262   3.3039  3200.87   93.648  3253.40  139.907  3158.23  126.051  225.889   4.8772  222.636   4.4583 3.252838 6.607829 
1 1 1    4   18   16 o  154.931   5.6695  1554.17   88.115  1560.98   98.297  1526.28  198.809  156.410   4.9488  153.452   10.202 2.957809 11.33892 
1 1 1    4   18   17 o  269.827   4.3235  4656.24  132.608  4646.44  155.966  4681.81  251.913  269.847   4.5513  269.807   7.3522 0.3930664E-01 8.646939 
1 1 1    4   20    0 o  375.138   3.8714  8962.50  184.339  8613.65  256.371  9335.92  265.244  367.583   5.4921  382.694   5.4578 -15.11053 7.742744 
1 1 1    4   20    1 o   62.444   10.882  264.247   85.472  276.301  126.881  254.232  115.649   63.700   15.769   61.188   14.999 2.512115 21.76318 
1 1 1    4   20    2 o   84.175   8.7523  472.016   88.834  353.409  125.290  591.918  125.972   72.483   14.119   95.868   10.347 -23.38441 17.50466 
1 1 1    4   20    3 o  275.516   3.7538  4845.22  131.145  4603.67  187.054  5078.76  183.921  268.718   5.4814  282.314   5.1300 -13.59625 7.507556 
1 1 1    4   20    4 o  243.138   3.8250  3773.05  117.947  3663.05  169.620  3876.02  164.119  239.673   5.5729  246.602   5.2406 -6.929733 7.649925 
1 1 1    4   20    5 f  332.059   3.7321  7030.84  157.309  6780.52  222.309  7281.88  222.628  326.115   5.3680  338.003   5.1866 -11.88745 7.464298 
1 1 1    4   20    6 o  143.796   4.7837  1310.89   86.596  1401.60  133.135  1244.37  114.009  148.026   7.0824  139.566   6.4325 8.459793 9.567494 
1 1 1    4   20    7 o  350.077   3.7578  7794.74  166.561  8075.31  246.937  7560.55  225.610  355.797   5.4652  344.357   5.1591 11.44040 7.515609 
1 1 1    4   20    8 f  206.676   4.4093  2736.78  111.849  2701.61  182.769  2757.84  141.423  205.439   7.0055  207.914   5.3562 -2.475143 8.818556 
1 1 1    4   20    9 o  124.112   5.1819  984.495   81.326  1019.00  121.558  956.537  109.423  126.031   7.5950  122.193   7.0515 3.837318 10.36376 
1 1 1    4   20   10 f   78.731   7.3094  399.446   72.711  424.275  109.593  379.923   97.181   80.850   10.674   76.611   9.9887 4.239037 14.61874 
1 1 1    4   20   11 o  205.114   3.7205  2695.10   96.556  2577.04  140.783  2799.97  132.679  200.798   5.5210  209.429   4.9887 -8.630859 7.440971 
1 1 1    4   20   12 o   73.139   7.7921  362.773   68.619  299.432  102.908  413.481   92.076   66.383   12.669   79.894   9.0751 -13.51108 15.58424 
1 1 1    4   20   13 o  158.424   5.8812  1568.19  101.931  1515.76  116.603  1738.10  209.899  153.736   5.9725  163.112   10.133 -9.376251 11.76233 
1 1 1    4   20   14 o  126.049   4.9354  1026.19   78.852  955.649  111.612  1096.48  111.416  121.648   7.2248  130.450   6.7255 -8.801521 9.870723 
1 1 1    4   22    0 o  117.350   6.5930  908.831   96.125  812.966  147.230  980.055  126.906  111.547   10.394  123.154   8.1144 -11.60710 13.18594 
1 1 1    4   22    1 o  264.682   3.9700  4500.92  132.098  4377.15  200.025  4596.66  175.918  261.273   6.0285  268.091   5.1671 -6.818359 7.939935 
1 1 1    4   22    2 o  244.848   3.9674  3833.51  122.152  3884.22  186.783  3795.62  161.468  246.119   5.9761  243.578   5.2200 2.541000 7.934845 
1 1 1    4   22    3 o  241.156   3.9582  3718.75  119.748  3770.19  184.814  3681.53  157.214  242.431   6.0030  239.882   5.1608 2.548889 7.916435 
1 1 1    4   22    4 o   69.984   10.208  339.019   86.220  347.356  136.751  333.518  111.080   70.208   15.728   69.761   13.017 0.4468079 20.41639 
1 1 1    4   22    5 f   59.381   11.170  252.423   85.027  228.489  135.410  268.003  109.251   56.841   17.250   61.922   14.196 -5.081417 22.34036 
1 1 1    4   22    6 o  143.348   5.0450  1314.39   90.310  1394.80  142.948  1260.97  116.506  146.776   7.6691  139.921   6.5567 6.855209 10.08992 
1 1 1    4   22    7 o  135.620   5.4765  1169.36   92.441  1310.51  149.220  1081.45  117.758  141.924   8.2793  129.315   7.1708 12.60884 10.95293 
1 1 1    4   22    8 o   36.719   11.098   9.6307   90.371   65.148  144.321 -26.1782  115.907   41.544   17.062   31.893   14.197 9.651188 22.19616 
1 1 1    4   22    9 o   33.474   14.788 -226.5748  104.971 -777.8343  199.466 -15.4275  123.448  ?   ?    33.474   14.788      ?      ? 
1 1 1    4   22   10 o  222.176   5.7442  3221.77  161.872  3421.83  235.653  3043.04  222.736  228.699   8.1139  215.654   8.1331 13.04430 11.48839 
1 1 1    4   22   11 o   72.494   12.189  396.987  113.335  273.395  157.267  530.527  163.473   59.686   18.676   85.302   15.668 -25.61592 24.37764 
1 1 1    4   24    0 o   41.761   11.663   99.565   86.168  120.479  154.744   90.165  103.739   44.698   17.918   38.824   14.936 5.873955 23.32648 
1 1 1    4   24    1 o   33.574   10.567  -3.7441   87.039 -20.3173  150.204   4.6344  106.798   35.303   15.902   31.845   13.921 3.457771 21.13490 
1 1 1    4   24    2 o   68.762   10.686  380.604   92.303  236.436  147.503  473.396  118.337   54.638   18.176   82.886   11.243 -28.24732 21.37160 
1 1 1    4   24    3 o  150.834   5.4112  1492.69   99.585  1540.73  166.410  1465.90  124.298  151.918   8.6257  149.749   6.5362 2.169144 10.82236 
1 1 1    4   24    4 o  105.491   7.3824  779.965   94.389  683.739  151.766  840.666  120.538   98.743   12.103  112.238   8.4568 -13.49537 14.76472 
1 1 1    4   24    5 f  129.139   8.2206  1156.93  133.946  1236.69  203.462  1095.91  177.947  132.564   12.086  125.713   11.146 6.851891 16.44116 
1 1 1    4   24    6 o  111.234   9.2808  877.713  130.098  1007.68  199.396  781.370  171.673  118.131   13.292  104.337   12.956 13.79399 18.56164 
1 1 1    4   24    7 o   47.258   19.505  153.910  189.782  153.910  189.782   0.0000   0.0000   47.258   19.505  ?   ?       ?      ? 
1 1 1    5    1    0 o  333.056   3.0491  6947.08  127.906  6311.72  168.236  7817.38  196.900  315.261   4.2021  350.852   4.4192 -35.59088 6.098146 
1 1 1    5    1    4 o  494.430   4.1476 15487.68  259.972 16176.22  381.583 14891.23  355.149  504.657   5.9541  484.203   5.7757 20.45453 8.295189 
1 1 1    5    1    6 o  601.595   4.9193 22983.96  375.717 22632.12  523.903 23356.53  539.111  596.859   6.9120  606.331   7.0015 -9.472656 9.838506 
1 1 1    5    1    7 o  314.695   2.9739  6274.49  118.687  6000.75  162.769  6585.27  173.434  307.384   4.1698  322.006   4.2412 -14.62183 5.947711 
1 1 1    5    1    8 o  709.958   5.7184 32005.45  515.241 31303.97  713.502 32769.88  744.828  701.842   8.0053  718.075   8.1679 -16.23224 11.43674 
1 1 1    5    1    9 o  436.576   3.7753 12091.04  209.133 11739.15  288.620 12480.04  303.455  429.898   5.2867  443.253   5.3909 -13.35532 7.550578 
1 1 1    5    1   10 o  733.320   5.8941 34120.20  548.252 35247.38  799.078 33117.66  753.609  744.736   8.4491  721.903   8.2203 22.83313 11.78817 
1 1 1    5    1   11 o  144.814   2.4224  1331.82   44.544  1351.18   63.009  1312.49   62.982  145.866   3.4015  143.762   3.4498 2.103546 4.844717 
1 1 1    5    1   12 o  665.748   5.3970 28139.81  456.038 27556.25  632.351 28772.25  658.302  658.565   7.5610  672.931   7.7033 -14.36566 10.79400 
1 1 1    5    1   13 o  190.901   3.1378  2284.93   71.546  2229.81   86.919  2400.74  125.994  187.383   3.6526  194.419   5.1031 -7.036179 6.275617 
1 1 1    5    1   14 o  604.934   4.9704 23230.55  381.642 22746.28  529.551 23753.92  550.506  598.381   6.9687  611.487   7.0892 -13.10522 9.940807 
1 1 1    5    1   15 o  817.853   9.2418 42502.95  959.867   0.0000   0.0000 42502.95  959.867  ?   ?   817.853   9.2418      ?      ? 
1 1 1    5    1   16 o  844.086   6.7403 45267.53  722.398 44790.75  1010.97 45764.95  1032.62  839.549   9.4823  848.623   9.5818 -9.073730 13.48059 
1 1 1    5    1   17 o  637.994   5.2492 25856.36  425.262 25658.67  597.183 26059.75  605.732  635.521   7.3995  640.467   7.4474 -4.945557 10.49838 
1 1 1    5    1   18 o  642.536   5.2732 26207.09  430.004 25616.67  595.378 26850.90  621.713  634.981   7.3834  650.091   7.5307 -15.10938 10.54638 
1 1 1    5    1   19 o  525.208   4.4612 17514.85  297.425 17176.73  413.441 17877.53  428.193  519.959   6.2613  530.456   6.3564 -10.49628 8.922348 
1 1 1    5    1   20 o  137.287   3.4647  1197.69   60.393  1204.66   84.681  1190.48   86.155  137.695   4.8428  136.880   4.9564 0.8149719 6.929494 
1 1 1    5    1   21 o  272.245   3.9361  4658.05  125.022  4850.11  229.497  4576.99  149.086  276.119   6.5449  268.371   4.3745 7.748413 7.872193 
1 1 1    5    1   22 o  260.957   3.0991  4320.28  102.606  4098.77  141.768  4563.96  148.694  253.944   4.3960  267.969   4.3695 -14.02495 6.198189 
1 1 1    5    1   23 o  219.590   3.0987  3064.62   86.400  3022.70  121.019  3108.22  123.391  218.059   4.3702  221.121   4.3942 -3.061859 6.197356 
1 1 1    5    1   24 o  216.430   3.1687  2977.48   87.064  2941.62  121.318  3015.56  125.020  215.090   4.4415  217.771   4.5207 -2.680756 6.337448 
1 1 1    5    1   25 o  417.498   3.8728 11092.10  205.301 10915.72  287.193 11276.42  293.591  414.108   5.4611  420.888   5.4929 -6.780090 7.745679 
1 1 1    5    1   26 o  177.714   3.5764  2011.83   80.600  1984.02  116.679  2037.21  111.470  176.526   5.2048  178.903   4.9064 -2.377701 7.152833 
1 1 1    5    1   27 f  218.073   3.8077  3027.86  105.349  3217.72  150.910  2847.38  147.135  224.750   5.2874  211.396   5.4808 13.35406 7.615470 
1 1 1    5    1   28 o  145.650   4.5659  1363.27   83.847  1258.36  123.081  1454.12  114.536  140.330   6.9066  150.971   5.9741 -10.64125 9.131834 
1 1 1    5    1   29 f  176.430   5.6008  2002.57  108.569  1983.72  216.524  2008.90  125.484  175.429   9.7191  177.430   5.5691 -2.001068 11.20157 
1 1 1    5    1   30 o  116.134   7.4043  795.749   97.597  1062.23  196.869  708.917  112.378  127.382   12.170  104.885   8.4370 22.49725 14.80852 
1 1 1    5    1   31 o  177.710   5.9304  2039.32  110.726  2058.07  236.035  2034.03  125.377  177.231   10.487  178.189   5.5407 -0.9578552 11.86087 
1 1 1    5    1   32 o  ?   ?  -757.4131  101.900 -1004.1150  251.325 -708.8785  111.474  ?   ?   ?   ?       ?      ? 
1 1 1    5    1   33 o   37.030   11.560   1.0119  105.936 -28.2299  165.296   21.395  138.004   37.040   16.684   37.019   16.006 0.2084732E-01 23.12044 
1 1 1    5    1   34 o   52.910   12.567  220.007  102.391  284.573  145.400  156.491  144.214   59.176   17.856   46.643   17.689 12.53274 25.13443 
1 1 1    5    3    0 f  1355.26   21.195 117079.30  3647.90 117079.30  3647.90   0.0000   0.0000  1355.26   21.195  ?   ?       ?      ? 
1 1 1    5    3    1 o  883.203   14.028 49615.82  1573.34 49615.82  1573.34   0.0000   0.0000  883.203   14.028  ?   ?       ?      ? 
1 1 1    5    3    2 o  501.015   4.2224 15666.94  265.428 14264.09  344.473 17716.99  416.421  473.896   5.7239  528.135   6.2088 -54.23853 8.444711 
1 1 1    5    3    3 o  309.042   2.9546  6053.08  115.837  6367.76  168.375  5770.31  159.612  316.652   4.1871  301.432   4.1696 15.22037 5.909145 
1 1 1    5    3    5 o  1085.63   17.066 75093.36  2352.81 75093.36  2352.81   0.0000   0.0000  1085.63   17.066  ?   ?       ?      ? 
1 1 1    5    3    6 o  476.317   4.0762 14411.85  246.560 14368.89  347.635 14455.33  349.752  475.603   5.7557  477.031   5.7734 -1.427979 8.152370 
1 1 1    5    3    7 o  870.302   9.7842 48179.29  1080.73 49264.48  1561.19 47180.75  1497.56  879.682   13.975  860.921   13.698 18.76068 19.56849 
1 1 1    5    3    8 o  524.466   4.4009 17446.47  292.796 16900.27  402.836 18058.18  426.311  515.781   6.1502  533.151   6.2965 -17.37000 8.801719 
1 1 1    5    3    9 o  929.660   9.0334 54902.76  1004.49 55236.86  1745.54 54737.34  1228.24  931.463   14.757  927.857   10.424 3.606384 18.06688 
1 1 1    5    3   10 o  849.542   6.7731 45863.10  730.581 46451.65  1045.71 45301.90  1021.12  854.860   9.6325  844.224   9.5245 10.63580 13.54626 
1 1 1    5    3   11 o  527.801   4.4227 17671.56  296.146 17172.51  407.945 18227.59  430.601  519.937   6.1784  535.666   6.3300 -15.72882 8.845397 
1 1 1    5    3   12 o  410.877   3.6285 10703.83  189.133 10322.58  260.331 11130.00  275.241  403.143   5.0850  418.611   5.1776 -15.46765 7.257007 
1 1 1    5    3   13 o  434.822   4.6208 11980.85  240.656 12099.57  417.512 11921.78  294.502  436.400   7.5337  433.244   5.3528 3.155548 9.241655 
1 1 1    5    3   14 o  1263.09   12.170 101026.10  1824.75 100039.50  2211.79 103128.70  3228.97  1254.09   13.888  1272.10   19.988 -18.00989 24.33909 
1 1 1    5    3   15 o  440.318   3.8992 12313.76  218.028 12352.42  309.579 12275.71  307.113  441.003   5.5278  439.632   5.5009 1.370850 7.798464 
1 1 1    5    3   16 o  1018.28   8.0465 65910.56  1040.42 65360.32  1459.24 66479.50  1483.83  1013.97   11.333  1022.60   11.426 -8.634033 16.09297 
1 1 1    5    3   17 o  605.201   7.0898 23268.23  544.891   0.0000   0.0000 23268.23  544.891  ?   ?   605.201   7.0898      ?      ? 
1 1 1    5    3   18 o  466.083   4.0753 13797.93  241.201 13703.07  339.152 13895.02  343.101  464.462   5.7500  467.703   5.7766 -3.240753 8.150565 
1 1 1    5    3   19 o  356.864   3.4352  8089.88  155.674  8100.37  221.232  8079.59  219.097  357.092   4.8785  356.635   4.8376 0.4569092 6.870440 
1 1 1    5    3   20 o  314.785   3.2350  6295.76  129.312  6350.50  184.088  6242.43  181.685  316.135   4.5854  313.434   4.5645 2.700439 6.469976 
1 1 1    5    3   21 o  131.313   3.5161  1091.36   58.417  1233.31   85.492  967.035   80.008  139.292   4.8330  123.334   5.1083 15.95782 7.032254 
1 1 1    5    3   22 o  483.249   5.0237 14822.31  267.585 14962.30  534.383 14775.46  309.132  484.442   8.6863  482.056   5.0497 2.385834 10.04744 
1 1 1    5    3   23 o  182.057   4.2937  2101.95   85.473  2124.34  172.810  2094.70   98.345  182.589   7.4527  181.525   4.2662 1.064087 8.587399 
1 1 1    5    3   24 o  120.116   6.2236  978.002   74.510  830.278  163.353  1016.81   83.727  113.814   11.302  126.418   5.2153 -12.60395 12.44721 
1 1 1    5    3   25 f  184.777   4.7688  2253.42   93.155  2037.63  191.982  2319.86  106.537  178.573   8.4658  190.980   4.3927 -12.40631 9.537570 
1 1 1    5    3   26 o  207.914   4.8177  2753.07  104.482  2767.49  225.485  2749.12  117.903  207.971   8.5376  207.857   4.4666 0.1130219 9.635459 
1 1 1    5    3   27 o  277.328   5.1584  4654.46  157.055  5440.54  326.176  4417.21  179.195  291.356   8.8156  263.300   5.3592 28.05670 10.31673 
1 1 1    5    3   28 o  294.168   4.7032  5413.26  146.712  5739.66  313.437  5321.69  166.022  299.246   8.2479  289.091   4.5222 10.15411 9.406332 
1 1 1    5    3   29 o   42.283   11.219   94.156   83.243 -102.7629  184.270  144.645   93.306   37.792   17.255   46.773   14.344 -8.981285 22.43896 
1 1 1    5    3   30 o  250.691   4.9360  3999.37  134.249  4103.38  275.128  3966.87  153.801  252.103   8.5937  249.280   4.8584 2.823364 9.871967 
1 1 1    5    3   31 o   45.160   12.323   76.111   89.185  200.585  180.822   36.096  102.523   55.352   20.022   34.968   14.373 20.38421 24.64676 
1 1 1    5    3   32 o  261.199   6.2766  4626.87  193.775  4038.89  329.363  4938.13  239.638  246.323   10.529  276.075   6.8352 -29.75246 12.55319 
1 1 1    5    3   33 o   80.644   13.188  514.448  127.274  496.550  219.879  523.466  156.079   76.805   21.625   84.483   15.102 -7.677979 26.37662 
1 1 1    5    3   34 o  163.972   7.5098  1820.72  154.128  2079.42  244.271  1649.60  198.668  172.802   11.131  155.142   10.084 17.65981 15.01958 
1 1 1    5    5    0 o  663.419   5.3718 27928.73  452.140 28780.74  657.078 27162.52  623.118  673.011   7.6881  653.828   7.5046 19.18292 10.74364 
1 1 1    5    5    1 o  912.257   10.221 52842.65  1181.77 55069.47  1737.81 50926.95  1611.84  930.048   14.714  894.466   14.190 35.58167 20.44124 
1 1 1    5    5    2 o  481.612   4.0751 14724.64  249.134 15050.23  358.766 14421.42  346.225  486.749   5.8040  476.475   5.7219 10.27390 8.150264 
1 1 1    5    5    3 o  675.862   5.4688 29025.87  469.372 29181.05  666.839 28873.49  660.786  677.652   7.7488  674.073   7.7193 3.578491 10.93762 
1 1 1    5    5    4 o  119.697   3.3074  1001.11   43.675  1128.23   52.492  715.172   78.728  133.290   3.1011  106.104   5.8428 27.18572 6.614791 
1 1 1    5    5    5 o  729.574   7.2375 33427.13  622.928 32740.53  748.974 34967.85  1121.96  717.751   8.2170  741.396   11.917 -23.64508 14.47495 
1 1 1    5    5    6 o  107.385   2.9657  659.683   30.353  626.397   32.944  846.648   78.077   99.319   2.6119  115.451   5.3254 -16.13207 5.931421 
1 1 1    5    5    7 o  504.118   6.0357 16074.46  385.134 17069.58  573.650 15257.83  519.667  518.245   8.7163  489.990   8.3514 28.25574 12.07148 
1 1 1    5    5    8 o  495.534   5.9563 15590.87  374.609 15210.13  519.175 16004.39  541.058  489.232   8.3564  501.836   8.4899 -12.60443 11.91254 
1 1 1    5    5    9 o  1241.96   13.766 98312.02  2170.38 100004.90  3121.75 96728.13  3019.58  1252.26   19.630  1231.66   19.305 20.59937 27.53251 
1 1 1    5    5   10 o  538.421   6.3901 18414.93  436.796 18068.90  608.630 18782.43  627.237  533.210   8.9883  543.631   9.0855 -10.42078 12.78029 
1 1 1    5    5   11 o  873.790   9.8357 48528.65  1090.52 49816.45  1581.55 47361.42  1505.69  884.807   14.075  862.773   13.742 22.03479 19.67143 
1 1 1    5    5   12 o  511.905   6.1637 16645.34  400.557 16881.79  575.462 16423.09  557.894  515.427   8.7917  508.383   8.6414 7.044037 12.32749 
1 1 1    5    5   13 o  559.588   5.4814 19700.92  335.189 20272.87  681.519 19518.43  384.967  564.817   9.5015  554.358   5.4683 10.45929 10.96273 
1 1 1    5    5   14 o  1428.49   13.742 129674.20  2350.09 131053.40  4080.57 128989.70  2874.71  1433.34   22.418  1423.64   15.901 9.703369 27.48438 
1 1 1    5    5   15 o  651.584   6.6546 26646.30  510.363 27865.95  923.104 26109.37  612.487  662.092   10.979  641.076   7.5233 21.01617 13.30918 
1 1 1    5    5   16 o  248.984   3.8113  3909.70   97.036  3984.29  216.101  3890.86  108.601  250.439   6.7948  247.527   3.4549 2.911987 7.622678 
1 1 1    5    5   17 o  268.662   3.8179  4677.42  107.541  4420.57  227.074  4751.69  122.103  263.785   6.7786  273.539   3.5150 -9.753601 7.635745 
1 1 1    5    5   18 f  369.109   4.1783  8662.72  166.425  8643.54  342.061  8668.67  190.492  368.781   7.3039  369.436   4.0603 -0.6551819 8.356653 
1 1 1    5    5   19 o  540.893   5.3092 18593.18  364.684   0.0000   0.0000 18593.18  364.684  ?   ?   540.893   5.3092      ?      ? 
1 1 1    5    5   20 o  254.617   3.9607  4238.50  104.811  3920.39  222.665  4329.05  118.795  248.200   7.0643  261.034   3.5836 -12.83374 7.921324 
1 1 1    5    5   21 o   94.888   7.3098  628.669   56.400  506.759  156.198  646.946   60.480   88.894   13.836  100.881   4.7209 -11.98652 14.61962 
1 1 1    5    5   22 o  245.070   3.9675  3815.14  100.785  3830.63  219.469  3811.00  113.456  245.250   7.0467  244.890   3.6482 0.3601837 7.935076 
1 1 1    5    5   23 o  238.564   4.0234  3577.38   98.847  3698.53  218.713  3546.28  110.809  240.915   7.1488  236.214   3.6940 4.700989 8.046801 
1 1 1    5    5   24 f  140.098   5.3084  1199.11   72.048  1335.56  175.708  1171.53   78.994  144.482   9.5764  135.714   4.5834 8.768036 10.61671 
1 1 1    5    5   25 o  145.555   5.4161  1363.84   76.049  1336.50  180.672  1369.73   83.838  144.385   9.8535  146.726   4.4994 -2.341125 10.83224 
1 1 1    5    5   26 o   67.459   11.324  323.490   78.380  248.816  190.303  338.746   86.015   62.238   20.642   72.680   9.3192 -10.44286 22.64813 
1 1 1    5    5   27 f  191.271   5.2177  2290.04   99.167  2420.27  231.046  2260.63  109.795  194.116   9.3726  188.426   4.5884 5.690002 10.43547 
1 1 1    5    5   28 o  176.682   5.5186  1954.48   92.180  2071.23  228.816  1931.86  100.714  179.215   10.054  174.148   4.5540 5.066727 11.03720 
1 1 1    5    5   29 o  271.634   4.5497  4739.54  127.216  4695.47  278.294  4751.18  143.036  270.183   8.1109  273.085   4.1245 -2.901337 9.099319 
1 1 1    5    5   30 o  141.925   6.6763  1304.61   94.368  1317.75  215.879  1301.51  104.923  141.326   12.028  142.524   5.7970 -1.197723 13.35251 
1 1 1    5    5   31 o  150.946   6.6104  1575.16  106.259  1338.28  211.418  1655.22  122.911  141.533   11.763  160.359   6.0356 -18.82532 13.22076 
1 1 1    5    5   32 o  137.029   8.2355  1314.45  132.296  1150.88  227.131  1398.43  162.754  128.480   13.921  145.578   8.8035 -17.09874 16.47094 
1 1 1    5    5   33 o   51.894   14.038  179.268  116.348  288.591  228.245  140.888  135.237   58.474   22.235   45.314   17.143 13.15968 28.07609 
1 1 1    5    7    0 o  662.859   5.3775 27892.89  452.348 28598.55  654.788 27248.66  625.640  670.866   7.6858  654.852   7.5232 16.01398 10.75499 
1 1 1    5    7    1 o  546.673   4.5451 18964.89  315.289 19489.17  457.043 18488.85  435.507  553.870   6.4979  539.475   6.3569 14.39532 9.090248 
1 1 1    5    7    2 o  359.776   3.2922  8188.79  150.071  7756.03  203.959  8699.65  221.602  349.454   4.5959  370.099   4.7150 -20.64520 6.584345 
1 1 1    5    7    3 o  1148.00   12.751 83997.77  1858.76 84811.89  2653.96 83213.96  2604.11  1153.44   18.118  1142.56   17.947 10.87512 25.50270 
1 1 1    5    7    4 o  920.172   7.2859 53825.21  851.326 53386.54  1194.99 54277.29  1213.12  916.369   10.269  923.974   10.339 -7.605225 14.57179 
1 1 1    5    7    5 o  164.452   2.3988  1716.11   50.055  1748.55   72.537  1686.63   69.160  165.934   3.4423  162.970   3.3417 2.963913 4.797537 
1 1 1    5    7    6 o  482.724   4.1128 14801.66  252.123 14785.71  356.727 14817.58  356.385  482.463   5.8223  482.983   5.8104 -0.5200806 8.225596 
1 1 1    5    7    7 o  1233.17   13.674 96954.86  2141.24 97514.76  3046.21 96408.02  3010.46  1236.67   19.397  1229.67   19.278 7.006714 27.34740 
1 1 1    5    7    8 o  617.407   5.8746 24405.38  406.194 24614.11  474.610 23833.89  785.331  622.490   6.0038  612.323   10.099 10.16681 11.74917 
1 1 1    5    7    9 o   88.153   6.6929  528.984   69.481  378.057  111.383  625.125   88.898   77.109   11.375   99.196   7.0570 -22.08678 13.38585 
1 1 1    5    7   10 o  900.493   10.132 51592.86  1158.60 51572.65  1639.03 51613.05  1637.98  900.315   14.336  900.670   14.321 -0.3544922 20.26303 
1 1 1    5    7   11 o  515.530   6.2392 16886.43  408.437 16954.97  581.856 16819.86  573.469  516.560   8.8699  514.501   8.7770 2.058472 12.47840 
1 1 1    5    7   12 o  648.446   7.5864 26708.41  624.336 27223.02  901.959 26235.01  865.084  654.431   10.853  642.461   10.603 11.96991 15.17271 
1 1 1    5    7   13 o  609.808   7.2672 23634.53  562.769 23431.51  794.971 23838.47  796.783  607.181   10.310  612.434   10.245 -5.253784 14.53445 
1 1 1    5    7   14 o  672.182   7.8546 28722.17  670.440 28802.06  954.356 28644.33  942.053  673.100   11.165  671.263   11.051 1.837524 15.70925 
1 1 1    5    7   15 o  123.212   6.8293  987.877  103.916  845.203  159.769  1092.49  136.807  115.301   10.911  131.123   8.2158 -15.82196 13.65863 
1 1 1    5    7   16 o  757.266   8.7001 36483.61  836.648 36560.08  1187.15 36408.16  1179.29  758.051   12.332  756.481   12.276 1.569885 17.40017 
1 1 1    5    7   17 o  577.886   6.9272 21226.64  507.919 21750.09  737.139 20753.47  700.846  584.645   9.9284  571.126   9.6630 13.51953 13.85449 
1 1 1    5    7   18 f  151.134   5.6262  1463.07  107.259  1338.38  156.470  1573.60  147.318  144.995   8.4977  157.272   7.3761 -12.27629 11.25243 
1 1 1    5    7   19 o  272.729   4.8181  4747.30  166.343  4489.39  240.648  4983.28  230.191  265.586   7.1351  279.872   6.4766 -14.28613 9.636180 
1 1 1    5    7   20 o  398.810   5.4194 10128.25  274.379 10219.09  393.776 10042.52  382.530  400.536   7.7416  397.085   7.5859 3.450287 10.83870 
1 1 1    5    7   21 o  541.503   5.4600 18652.93  375.464   0.0000   0.0000 18652.93  375.464  ?   ?   541.503   5.4600      ?      ? 
1 1 1    5    7   22 o  225.625   4.1881  3136.41   83.553  3387.47  226.498  3096.86   89.893  230.486   7.7382  220.764   3.2064 9.721725 8.376213 
1 1 1    5    7   23 o  249.126   4.1627  4073.32   98.876  3769.68  235.089  4138.58  108.985  243.072   7.6159  255.180   3.3631 -12.10899 8.325396 
1 1 1    5    7   24 o  126.357   5.4033  940.735   53.661  1124.18  170.702  920.619   56.527  132.384   10.154  120.329   3.6992 12.05446 10.80657 
1 1 1    5    7   25 o   65.538   10.477  284.045   52.842  274.754  179.322  284.928   55.298   64.249   19.916   66.827   6.5160 -2.577309 20.95467 
1 1 1    5    7   26 o  309.199   4.5657  6228.27  162.868  5799.63  296.035  6414.33  195.039  301.047   7.7434  317.351   4.8395 -16.30347 9.131316 
1 1 1    5    7   27 o  370.443   4.6298  8640.35  172.789  8984.04  393.864  8558.44  192.279  374.222   8.2878  366.663   4.1294 7.559204 9.259565 
1 1 1    5    7   28 o   71.997   11.738  366.118   64.166  316.423  224.770  370.527   66.952   67.952   22.429   76.042   6.9332 -8.089615 23.47573 
1 1 1    5    7   29 o   81.304   9.8693  399.629   65.493  517.398  193.702  384.428   69.591   85.291   18.422   77.318   7.0876 7.973015 19.73850 
1 1 1    5    7   30 o   35.921   11.552 -176.4958  116.068   82.309  193.682 -321.5208  144.986   47.243   19.618   24.598   12.202 22.64517 23.10357 
1 1 1    5    7   31 o   29.200   10.236 -413.7688  143.993 -499.4824  214.387 -343.3244  194.356   28.644   14.310   29.755   14.641 -1.111048 20.47282 
1 1 1    5    7   32 o  147.454   8.4463  1558.26  149.545  1278.36  238.789  1738.87  191.820  133.820   14.051  161.089   9.3767 -27.26906 16.89266 
1 1 1    5    7   33 o  134.962   11.179  1275.33  191.599   0.0000   0.0000  1275.33  191.599  ?   ?   134.962   11.179      ?      ? 
1 1 1    5    9    0 o  227.634   2.6660  3290.52   77.054  3300.51  110.113  3280.94  107.863  227.972   3.8035  227.296   3.7368 0.6762543 5.331997 
1 1 1    5    9    1 o  591.147   5.9929 21879.10  416.413 23066.99  756.476 21362.67  498.783  602.405   9.8885  579.889   6.7731 22.51648 11.98570 
1 1 1    5    9    2 o  542.202   4.5325 18587.50  311.101 17628.59  420.091 19752.06  462.951  526.794   6.2795  557.610   6.5377 -30.81586 9.064991 
1 1 1    5    9    3 o  478.972   4.0954 14565.74  249.025 14813.01  357.804 14333.43  346.803  482.911   5.8345  475.032   5.7489 7.879059 8.190862 
1 1 1    5    9    4 f  127.598   2.7412  1038.87   44.106  986.543   65.416  1082.49   59.722  124.636   4.1330  130.559   3.6021 -5.922913 5.482363 
1 1 1    5    9    5 o  406.016   3.6345 10442.31  187.043 10906.87  274.996 10042.37  255.153  414.395   5.2256  397.637   5.0529 16.75827 7.268983 
1 1 1    5    9    6 o  349.801   3.2916  7759.41  146.044  7999.98  212.896  7545.58  200.716  354.913   4.7235  344.688   4.5854 10.22479 6.583136 
1 1 1    5    9    7 o  450.638   3.9307 12859.76  224.482 13482.31  330.594 12327.13  305.786  460.726   5.6503  440.551   5.4657 20.17538 7.861301 
1 1 1    5    9    8 o  265.030   2.8951  4461.19   97.388  4444.62  139.876  4476.79  135.676  264.551   4.1635  265.508   4.0239 -0.9570618 5.790178 
1 1 1    5    9    9 o  155.003   3.8776  1525.76   76.327   0.0000   0.0000  1525.76   76.327  ?   ?   155.003   3.8776      ?      ? 
1 1 1    5    9   10 o  665.071   6.3583 28030.35  466.854 27953.47  539.776 28258.61  930.100  663.383   6.4072  666.758   10.985 -3.374512 12.71669 
1 1 1    5    9   11 f  322.954   5.1469  6634.24  210.818  6324.03  300.483  6934.97  295.854  315.505   7.4996  330.404   7.0511 -14.89883 10.29373 
1 1 1    5    9   12 o  287.511   5.0132  5234.06  182.468  5459.71  271.034  5047.02  246.766  293.156   7.2803  281.866   6.8939 11.28967 10.02640 
1 1 1    5    9   13 o   89.048   9.3083  494.287  103.942  569.363  163.593  443.461  134.603   94.599   13.618   83.498   12.694 11.10089 18.61667 
1 1 1    5    9   14 o  211.892   4.9297  2881.35  131.283  2575.30  193.112  3144.35  179.012  201.313   7.5537  222.471   6.3362 -21.15767 9.859307 
1 1 1    5    9   15 o  545.574   6.6293 18932.73  459.274 18673.83  645.565 19198.07  653.530  541.797   9.3827  549.351   9.3678 -7.554077 13.25858 
1 1 1    5    9   16 o  182.590   5.1375  2119.49  119.091  2188.22  170.613  2054.20  166.310  185.475   7.2435  179.704   7.2876 5.771484 10.27507 
1 1 1    5    9   17 o  457.815   5.9195 13350.38  344.121 13094.97  485.383 13608.50  487.947  453.402   8.4299  462.227   8.3126 -8.825195 11.83907 
1 1 1    5    9   18 o  556.320   6.7746 19740.22  478.571 19428.04  671.928 20061.63  681.782  551.855   9.5878  560.786   9.5735 -8.930359 13.54911 
1 1 1    5    9   19 o  129.372   6.6307  1080.93  107.612  927.243  156.476  1218.84  148.231  120.480   10.227  138.263   8.4422 -17.78333 13.26146 
1 1 1    5    9   20 o   90.552   9.4464  541.826  104.268  461.801  153.184  610.913  142.329   83.442   15.008   97.663   11.476 -14.22137 18.89270 
1 1 1    5    9   21 o  251.411   4.9597  4025.40  158.025  4074.73  231.615  3982.44  216.148  252.824   7.2139  249.998   6.8082 2.825729 9.919320 
1 1 1    5    9   22 o  396.492   5.5242 10025.14  277.574 10203.69  407.361  9870.38  379.243  399.724   8.0249  393.259   7.5938 6.465302 11.04833 
1 1 1    5    9   23 o  118.759   7.8012  882.403  111.981  986.387  194.771  831.060  136.863  123.647   12.404  113.872   9.4644 9.774666 15.60243 
1 1 1    5    9   24 o  169.542   6.0454  1861.18  126.281  1751.76  201.642  1931.79  161.980  165.207   9.6111  173.877   7.3357 -8.670609 12.09076 
1 1 1    5    9   25 o  152.131   6.5833  1500.08  125.952  1301.47  181.762  1683.56  174.694  142.208   10.065  162.054   8.4887 -19.84602 13.16651 
1 1 1    5    9   26 o  166.548   6.8997  1768.02  143.490  1892.46  227.564  1685.88  184.874  171.175   10.469  161.922   8.9907 9.253281 13.79937 
1 1 1    5    9   27 o  154.203   7.3193  1558.90  141.150  1422.57  213.206  1665.27  188.331  147.808   11.359  160.598   9.2343 -12.78993 14.63863 
1 1 1    5    9   28 o   96.019   12.455  703.580  134.597  480.668  231.370  817.609  165.480   80.553   21.998  111.484   11.688 -30.93124 24.91021 
1 1 1    5    9   29 o   50.123   12.758  120.437  127.543 -166.7587  206.704  297.007  162.076   36.717   17.273   63.529   18.780 -26.81202 25.51569 
1 1 1    5    9   30 o   34.276   11.660 -212.9794  141.885 -258.1766  241.119 -189.0397  175.483   36.634   17.625   31.917   15.271 4.716648 23.32033 
1 1 1    5    9   31 f   40.432   12.421   44.086  115.574 -54.8025  215.829   83.842  136.848   39.962   18.405   40.901   16.685 -0.9390488 24.84174 
1 1 1    5   11    0 o  423.907   4.7190 11118.22  232.565 12147.35  434.342 10704.58  275.364  437.272   7.8217  410.543   5.2817 26.72916 9.437972 
1 1 1    5   11    1 o  986.076   7.7948 61794.07  975.958 61121.02  1366.58 62494.67  1394.26  980.602   10.974  991.550   11.073 -10.94861 15.58950 
1 1 1    5   11    2 o  683.651   5.5753 29690.27  483.992 29892.96  690.069 29494.03  679.000  685.946   7.9218  681.357   7.8473 4.588989 11.15055 
1 1 1    5   11    3 o  140.944   3.5260  1246.85   62.656  1477.57   94.055  1062.77   84.012  152.529   4.8557  129.358   5.1141 23.17117 7.052042 
1 1 1    5   11    4 o  877.744   6.9945 48936.63  779.319 49832.13  1122.28 48102.68  1083.02  885.487   9.9802  870.000   9.8026 15.48730 13.98909 
1 1 1    5   11    5 o  556.359   4.6956 19644.88  331.591 19132.37  460.062 20198.97  478.354  548.815   6.6010  563.903   6.6799 -15.08777 9.391176 
1 1 1    5   11    6 o  613.649   7.1991 23921.96  561.015   0.0000   0.0000 23921.96  561.015  ?   ?   613.649   7.1991      ?      ? 
1 1 1    5   11    7 o  322.107   3.3592  6590.50  137.381  6444.81  194.537  6735.44  194.036  318.554   4.8089  325.659   4.6918 -7.105194 6.718496 
1 1 1    5   11    8 o  164.020   3.1507  1704.62   65.513  1772.58   96.119  1645.66   89.530  167.065   4.5305  160.974   4.3796 6.090836 6.301300 
1 1 1    5   11    9 o  358.256   3.4710  8148.47  157.812  8234.21  227.863  8069.43  218.774  360.065   4.9833  356.447   4.8331 3.618286 6.942012 
1 1 1    5   11   10 o  871.379   6.9779 48251.36  772.001 47574.54  1078.34 48962.99  1105.72  865.117   9.8153  877.641   9.9209 -12.52301 13.95581 
1 1 1    5   11   11 o  279.898   3.0805  4956.63  109.195  5226.09  161.885  4731.68  147.911  286.849   4.4440  272.947   4.2672 13.90256 6.161025 
1 1 1    5   11   12 o  282.131   3.7872  4987.77  114.272  4929.88  129.894  5185.97  240.335  278.602   3.6714  285.659   6.6251 -7.056458 7.574337 
1 1 1    5   11   13 o  133.773   6.2395  1136.33  105.672  1170.83  156.621  1107.51  143.168  135.622   9.0938  131.923   8.5457 3.699112 12.47900 
1 1 1    5   11   14 f  471.461   6.0061 14156.28  359.568 14090.44  511.074 14220.81  505.976  470.365   8.5560  472.556   8.4314 -2.191406 12.01222 
1 1 1    5   11   15 o  356.903   5.2040  8113.52  235.695  7963.17  337.863  8256.04  328.962  353.660   7.5228  360.146   7.1927 -6.486206 10.40799 
1 1 1    5   11   16 o  340.742   5.1023  7397.88  220.599  7225.26  316.131  7561.71  307.976  336.842   7.3903  344.642   7.0367 -7.799805 10.20452 
1 1 1    5   11   17 o  126.116   6.5253  1021.33  101.621  987.265  162.615  1043.15  130.168  124.302   10.302  127.930   8.0122 -3.628075 13.05065 
1 1 1    5   11   18 o  271.396   4.8517  4705.00  166.527  4519.91  243.984  4866.42  227.853  266.340   7.2135  276.452   6.4902 -10.11218 9.703477 
1 1 1    5   11   19 o  105.583   8.2909  727.113  108.649  649.248  167.051  784.199  143.036  100.468   13.093  110.699   10.175 -10.23054 16.58181 
1 1 1    5   11   20 o   39.552   11.940   2.9114  104.325   2.4539  164.270   3.2206  135.059   41.395   17.673   37.709   16.060 3.685493 23.88024 
1 1 1    5   11   21 o  139.218   7.3023  1250.62  125.511  1214.88  201.121  1273.43  160.628  137.396   11.527  141.040   8.9681 -3.643982 14.60456 
1 1 1    5   11   22 o   92.928   11.860  621.717  128.466  413.847  204.279  757.708  165.228   77.505   20.456  108.351   12.008 -30.84616 23.71983 
1 1 1    5   11   23 o  281.318   5.6929  5050.94  202.201  5214.35  304.758  4922.44  270.252  285.261   8.4127  277.374   7.6723 7.887451 11.38586 
1 1 1    5   11   24 o   72.007   13.188  369.824  126.893  219.492  191.932  486.557  169.129   59.397   20.712   84.617   16.331 -25.22011 26.37585 
1 1 1    5   11   25 o   44.609   18.990   21.355  188.682   21.355  188.682   0.0000   0.0000   44.609   18.990  ?   ?       ?      ? 
1 1 1    5   11   26 o   46.685   13.647   44.250  126.336  149.023  217.843  -8.8463  155.078   54.629   21.465   38.740   16.859 15.88870 27.29379 
1 1 1    5   11   27 o   62.789   13.917  278.281  121.132  311.735  194.599  257.119  154.773   65.494   20.811   60.084   18.482 5.410454 27.83348 
1 1 1    5   11   28 o  214.293   6.9853  3063.27  186.086  2851.60  288.086  3214.82  243.762  206.927   10.963  221.660   8.6597 -14.73277 13.97056 
1 1 1    5   11   29 o  168.952   10.308  1914.00  221.164   0.0000   0.0000  1914.00  221.164  ?   ?   168.952   10.308      ?      ? 
1 1 1    5   13    0 o  693.502   5.6557 30543.83  497.898 31074.34  716.370 30048.07  692.503  699.321   8.0665  687.684   7.9297 11.63702 11.31139 
1 1 1    5   13    1 o  455.214   4.0468 13162.30  233.929 13163.41  332.418 13161.21  329.255  455.233   5.7501  455.196   5.6958 0.3656006E-01 8.093573 
1 1 1    5   13    2 o  292.654   3.2694  5412.44  121.146  5790.90  180.006  5099.08  163.793  301.958   4.6942  283.350   4.5519 18.60864 6.538764 
1 1 1    5   13    3 o  202.968   3.1932  2619.98   82.175  2465.13  116.717  2772.19  115.717  197.012   4.6651  208.925   4.3614 -11.91324 6.386353 
1 1 1    5   13    4 o  287.289   3.2316  5238.87  117.830  4989.62  164.638  5500.60  168.709  280.288   4.6254  294.291   4.5142 -14.00397 6.463166 
1 1 1    5   13    5 o  421.684   3.8560 11291.53  206.427 11433.33  296.400 11157.97  287.661  424.253   5.5014  419.116   5.4047 5.136963 7.712080 
1 1 1    5   13    6 o   86.891   5.2252  490.997   56.312  406.042   84.208  559.723   75.739   79.924   8.2966   93.859   6.3543 -13.93491 10.45036 
1 1 1    5   13    7 o  307.451   3.2664  6002.18  127.433  6061.55  184.264  5947.75  176.427  308.905   4.6972  305.996   4.5402 2.909088 6.532719 
1 1 1    5   13    8 f  518.548   4.4483 17090.67  292.926 16976.03  413.863 17205.76  414.658  516.804   6.3060  520.292   6.2757 -3.487610 8.896655 
1 1 1    5   13    9 o  157.395   3.2145  1573.08   64.087  1587.44   94.250  1560.72   87.403  158.059   4.6955  156.730   4.3913 1.328751 6.428968 
1 1 1    5   13   10 o  171.872   3.0068  1881.84   65.443  1739.11   93.275  2020.22   91.843  165.431   4.4399  178.312   4.0559 -12.88161 6.013565 
1 1 1    5   13   11 f  280.205   3.1328  4991.60  111.388  4944.56  160.388  5035.43  154.812  278.924   4.5280  281.487   4.3308 -2.562744 6.265687 
1 1 1    5   13   12 o  236.180   2.9687  3538.71   88.852  3637.19  130.647  3453.95  121.197  239.227   4.3004  233.133   4.0936 6.093872 5.937315 
1 1 1    5   13   13 o  277.901   4.0381  4978.88  132.665  5100.44  161.621  4727.82  232.271  283.265   4.4929  272.538   6.7111 10.72650 8.076175 
1 1 1    5   13   14 o  202.208   3.7737  2554.98   77.362  2525.53   86.199  2676.93  175.399  199.367   3.4047  205.049   6.7359 -5.682007 7.547429 
1 1 1    5   13   15 o  246.215   4.9109  3842.28  152.935  4067.65  228.958  3660.72  205.503  252.680   7.1352  239.750   6.7497 12.92984 9.821895 
1 1 1    5   13   16 o  308.825   5.0858  6062.80  198.890  6280.73  294.515  5880.08  269.671  313.882   7.3886  303.769   6.9906 10.11288 10.17154 
1 1 1    5   13   17 o  393.132   5.5274  9843.27  275.339 10143.84  405.461  9586.05  375.086  398.641   8.0092  387.623   7.6198 11.01849 11.05480 
1 1 1    5   13   18 o  262.864   5.1181  4418.11  170.475  4224.53  245.788  4597.56  236.648  257.252   7.5236  268.476   6.9410 -11.22363 10.23625 
1 1 1    5   13   19 o  284.173   5.1929  5137.04  186.748  5386.86  278.268  4932.33  251.900  290.389   7.5458  277.957   7.1363 12.43231 10.38587 
1 1 1    5   13   20 o   84.537   12.377  485.719  128.312  442.158  201.428  515.466  166.455   80.095   19.893   88.980   14.731 -8.884621 24.75353 
1 1 1    5   13   21 o  116.035   9.1865  853.948  133.816  1035.32  208.112  726.105  174.724  126.303   12.975  105.768   13.008 20.53550 18.37299 
1 1 1    5   13   22 o   68.845   13.252  334.415  127.014  169.715  191.728  463.229  169.559   55.323   20.517   82.368   16.780 -27.04513 26.50492 
1 1 1    5   13   23 o  164.243   6.9426  1743.37  144.462  1724.29  211.025  1760.20  198.179  163.294   10.176  165.192   9.4469 -1.898132 13.88525 
1 1 1    5   13   24 o   82.082   12.163  457.480  125.358  611.491  187.117  332.067  168.853   95.654   15.404   68.511   18.827 27.14278 24.32538 
1 1 1    5   13   25 o  158.665   7.3873  1663.81  145.749  1566.18  226.434  1732.88  190.447  154.106   11.570  163.224   9.1878 -9.118576 14.77459 
1 1 1    5   15    0 o  292.669   3.2943  5435.08  122.230  5584.58  179.053  5304.61  167.268  296.426   4.7565  288.911   4.5590 7.514801 6.588538 
1 1 1    5   15    1 o  159.836   3.6678  1623.05   74.153  1634.79  110.070  1613.30  100.341  160.357   5.4051  159.315   4.9596 1.042038 7.335677 
1 1 1    5   15    2 o  321.330   3.3690  6560.98  137.390  6607.46  198.133  6517.94  190.679  322.421   4.8390  320.239   4.6887 2.181793 6.737933 
1 1 1    5   15    3 o  373.707   3.6212  8879.99  171.818  8702.56  243.693  9055.37  242.288  369.988   5.1865  377.425   5.0550 -7.436646 7.242482 
1 1 1    5   15    4 o  490.731   4.3007 15311.17  267.878 15493.47  385.941 15141.71  372.110  493.538   6.1578  487.924   6.0054 5.613983 8.601315 
1 1 1    5   15    5 f   44.151   8.9333  123.627   53.417  166.190   79.828   89.117   71.881   50.005   12.581   38.297   12.686 11.70819 17.86664 
1 1 1    5   15    6 o  399.194   4.6549 10180.92  223.074 10266.48  274.570 10014.78  382.612  401.813   5.3809  396.574   7.5973 5.239349 9.309772 
1 1 1    5   15    7 o   53.358   10.641  188.005   63.352  155.454  154.091  194.627   69.497   52.410   18.537   54.306   10.457 -1.896282 21.28250 
1 1 1    5   15    8 o  387.443   3.6678  9538.08  180.321  9723.56  261.239  9369.29  249.211  391.029   5.2608  383.856   5.1124 7.173462 7.335668 
1 1 1    5   15    9 f  483.173   4.2389 14852.73  260.076 14649.68  365.456 15061.09  370.196  479.827   5.9975  486.519   5.9918 -6.691895 8.477707 
1 1 1    5   15   10 o  348.690   3.4608  7732.82  153.174  7696.16  219.826  7767.42  213.551  347.878   4.9759  349.502   4.8114 -1.624329 6.921695 
1 1 1    5   15   11 o  401.775   3.7343 10267.99  190.516 10079.39  268.135 10460.28  270.746  398.046   5.3045  405.504   5.2576 -7.457886 7.468604 
1 1 1    5   15   12 f  154.470   3.1806  1518.92   62.251  1491.14   90.675  1543.68   85.616  153.124   4.6630  155.815   4.3268 -2.691299 6.361216 
1 1 1    5   15   13 o   82.359   4.2804  428.272   44.329  521.549   65.801  350.761   59.983   90.513   5.7246   74.205   6.3653 16.30754 8.560855 
1 1 1    5   15   14 o   35.987   9.6705   65.471   51.098   77.431   55.350  -3.5234  132.941   35.017   11.096   36.957   15.841 -1.939762 19.34106 
1 1 1    5   15   15 o  168.155   4.6454  1865.18   75.824  1901.41   84.059  1707.02  175.652  172.922   3.8279  163.388   8.4655 9.534241 9.290738 
1 1 1    5   15   16 f  390.912   5.6395  9773.52  279.687  9678.02  403.428  9861.89  388.092  389.008   8.1664  392.816   7.7798 -3.807770 11.27895 
1 1 1    5   15   17 o   44.710   13.403   21.697  130.150 -39.3825  215.191   56.927  163.429   44.711   19.647   44.709   18.235 0.1628876E-02 26.80561 
1 1 1    5   15   18 o  190.133   7.0553  2354.68  166.434  2171.00  258.954  2483.97  217.248  183.442   11.116  196.824   8.6916 -13.38213 14.11053 
1 1 1    5   15   19 o  143.396   7.7859  1312.35  140.448  1440.08  217.278  1220.67  184.074  149.217   11.466  137.575   10.536 11.64134 15.57182 
1 1 1    5   15   20 o  247.941   5.5250  3938.04  172.503  3976.03  261.961  3908.96  229.216  248.842   8.2896  247.041   7.3063 1.801361 11.04991 
1 1 1    5   15   21 o  160.937   6.8715  1656.16  138.628  1790.18  217.188  1564.03  180.084  166.191   10.291  155.683   9.1087 10.50800 13.74301 
1 1 1    5   15   22 o   50.326   13.614  130.730  116.053  166.001  200.547  112.972  142.300   54.481   20.812   46.170   17.556 8.310333 27.22802 
1 1 1    5   17    0 o  356.406   3.5660  8079.46  161.363  8072.11  230.686  8086.51  225.798  356.240   5.0992  356.571   4.9865 -0.3311768 7.132090 
1 1 1    5   17    1 o  246.412   3.3268  3864.40  103.957  3792.86  150.269  3930.06  143.967  244.212   4.8454  248.612   4.5600 -4.400116 6.653639 
1 1 1    5   17    2 o  328.443   3.4623  6851.04  144.122  7008.02  211.585  6715.17  196.851  331.934   5.0195  324.951   4.7703 6.982544 6.924614 
1 1 1    5   17    3 o  176.217   3.5409  1972.53   78.789  1999.13  118.238  1951.28  105.667  177.269   5.2523  175.165   4.7502 2.104111 7.081747 
1 1 1    5   17    4 o   69.344   8.1611  316.637   69.343  349.850   94.762  278.351  101.741   73.960   10.089   64.728   12.831 9.231949 16.32228 
1 1 1    5   17    5 o  361.151   3.6232  8261.46  165.581  8712.30  247.006  7893.52  223.144  370.042   5.2563  352.261   4.9882 17.78162 7.246403 
1 1 1    5   17    6 o   88.894   5.6535  507.343   63.000  483.032   95.849  525.835   83.593   86.969   8.6785   90.819   7.2480 -3.850388 11.30709 
1 1 1    5   17    7 o  140.940   4.0190  1268.55   70.747  1242.09  109.921  1287.27   92.439  139.647   6.1983  142.234   5.1177 -2.587234 8.037978 
1 1 1    5   17    8 o  316.819   3.4275  6389.44  137.809  6136.40  195.188  6640.95  194.597  310.548   4.9493  323.091   4.7428 -12.54227 6.854922 
1 1 1    5   17    9 f  197.129   4.3111  2338.45   99.467  2144.87  117.399  2830.93  187.251  183.579   5.0358  210.678   6.9988 -27.09918 8.622215 
1 1 1    5   17   10 o  171.973   3.5244  1865.77   76.556  2043.72  115.855  1727.84  101.998  179.178   5.0916  164.767   4.8746 14.41066 7.048852 
1 1 1    5   17   11 f  349.699   3.5745  7784.66  158.674  7823.86  228.026  7747.86  220.939  350.540   5.1223  348.858   4.9871 1.681793 7.149077 
1 1 1    5   17   12 o  214.322   3.4906  2922.22   94.702  2953.43  139.956  2895.86  128.620  215.355   5.1175  213.289   4.7486 2.065994 6.981246 
1 1 1    5   17   13 f  191.491   5.6948  2337.24  138.486  2337.24  138.486   0.0000   0.0000  191.491   5.6948  ?   ?       ?      ? 
1 1 1    5   17   14 o  228.714   3.4743  3325.47  100.300  3388.75  150.989  3275.50  134.185  230.622   5.1555  226.807   4.6588 3.815201 6.948602 
1 1 1    5   17   15 o  274.144   4.5053  4735.67  142.986  4647.78  169.525  4952.34  266.168  270.097   4.9424  278.190   7.5342 -8.092865 9.010608 
1 1 1    5   17   16 o  193.822   4.5017  2253.81   85.979  2174.10   94.475  2638.10  207.441  184.812   4.0254  202.833   8.0534 -18.02019 9.003410 
1 1 1    5   17   17 o   69.481   14.164  334.027  129.837  350.083  206.625  323.551  166.905   70.787   21.270   68.176   18.711 2.610596 28.32826 
1 1 1    5   17   18 o  200.192   6.3847  2588.28  161.415  2578.62  240.978  2596.14  217.392  199.676   9.5033  200.709   8.5290 -1.033035 12.76937 
1 1 1    5   17   19 o   99.313   12.856  652.196  162.143   0.0000   0.0000  652.196  162.143  ?   ?    99.313   12.856      ?      ? 
1 1 1    5   19    0 o  232.627   3.6408  3433.76  106.772  3544.91  162.147  3348.66  141.874  235.903   5.4125  229.350   4.8711 6.553452 7.281650 
1 1 1    5   19    1 o  260.689   3.5283  4313.57  116.563  4528.77  171.733  4129.73  158.726  266.688   5.0708  254.691   4.9075 11.99718 7.056607 
1 1 1    5   19    2 o  211.975   3.8338  2876.50  102.487  2493.85  145.224  3256.17  144.656  197.814   5.7810  226.136   5.0372 -28.32150 7.667677 
1 1 1    5   19    3 o  313.896   5.2161  6275.45  207.928  6275.45  207.928   0.0000   0.0000  313.896   5.2161  ?   ?       ?      ? 
1 1 1    5   19    4 o  265.612   3.6153  4491.03  121.378  4513.94  180.801  4472.23  163.768  266.192   5.3485  265.033   4.8657 1.158295 7.230603 
1 1 1    5   19    5 o  272.974   5.3678  4747.32  186.079  4747.32  186.079   0.0000   0.0000  272.974   5.3678  ?   ?       ?      ? 
1 1 1    5   19    6 o  405.909   5.6147 10501.63  289.423   0.0000   0.0000 10501.63  289.423  ?   ?   405.909   5.6147      ?      ? 
1 1 1    5   19    7 o  229.490   7.2264  3366.33  210.603   0.0000   0.0000  3366.33  210.603  ?   ?   229.490   7.2264      ?      ? 
1 1 1    5   19    8 o  223.918   3.8453  3212.79  108.731  2979.98  158.551  3419.49  149.396  216.164   5.7757  231.671   5.0780 -15.50726 7.690565 
1 1 1    5   19    9 o  196.502   3.6973  2466.15   92.059  2348.25  132.488  2576.21  128.010  191.922   5.4359  201.083   5.0129 -9.160355 7.394510 
1 1 1    5   19   10 o  421.152   4.0136 11300.31  214.436 11612.08  311.954 11021.03  295.251  426.623   5.7580  415.680   5.5931 10.94336 8.027285 
1 1 1    5   19   11 o   85.718   6.6443  486.647   70.141  394.330  106.073  558.377   93.501   78.112   10.693   93.324   7.8894 -15.21176 13.28865 
1 1 1    5   19   12 o   91.399   5.6589  531.864   65.082  568.083  100.240  505.470   85.570   94.017   8.3957   88.782   7.5896 5.234787 11.31770 
1 1 1    5   19   13 o  105.071   4.9993  716.290   65.191  663.611  101.535  753.237   85.033  101.624   7.8675  108.517   6.1704 -6.892731 9.998577 
1 1 1    5   19   14 o   79.938   8.9492  412.936   90.847  412.936   90.847   0.0000   0.0000   79.938   8.9492  ?   ?       ?      ? 
1 1 1    5   19   15 o   84.554   9.3035  525.110   75.538  557.856   85.454  408.073  161.552   93.104   7.2275   76.003   17.146 17.10109 18.60700 
1 1 1    5   19   16 o  145.736   5.3164  1360.31   98.392  1360.31   98.392   0.0000   0.0000  145.736   5.3164  ?   ?       ?      ? 
1 1 1    5   21    0 o  171.568   4.4495  1870.48   96.093  1968.13  147.423  1798.35  126.710  175.373   6.6195  167.764   5.9475 7.609558 8.898909 
1 1 1    5   21    1 o  148.168   5.0860  1410.75   94.355  1383.49  145.388  1430.58  124.020  146.808   7.7983  149.528   6.5312 -2.719681 10.17203 
1 1 1    5   21    2 o  195.182   4.1736  2431.52  103.009  2465.33  153.375  2403.73  139.033  196.363   6.1506  194.001   5.6434 2.362854 8.347279 
1 1 1    5   21    3 o  169.764   4.5930  1828.94   98.425  1983.17  149.471  1710.88  130.780  175.990   6.6880  163.539   6.2971 12.45042 9.186002 
1 1 1    5   21    4 f  236.200   3.9029  3566.16  116.761  3523.73  170.878  3603.31  159.916  234.828   5.7301  237.573   5.3005 -2.745270 7.805706 
1 1 1    5   21    5 o  239.561   3.8290  3649.50  115.909  3820.83  174.316  3513.71  155.186  244.526   5.6135  234.596   5.2090 9.930145 7.658018 
1 1 1    5   21    6 o  149.507   4.9884  1454.60   93.113  1297.53  140.395  1577.94  124.411  142.028   7.7840  156.985   6.2405 -14.95755 9.976707 
1 1 1    5   21    7 o  199.356   4.0050  2518.16  100.623  2732.43  154.145  2359.06  132.828  206.620   5.8746  192.092   5.4450 14.52742 8.009956 
1 1 1    5   21    8 o  203.416   3.9333  2642.49  101.068  2698.20  151.597  2597.91  135.600  205.269   5.8155  201.563   5.2975 3.706161 7.866622 
1 1 1    5   21    9 o  138.551   4.7322  1211.11   82.256  1382.13  129.161  1094.43  106.689  146.563   6.9396  130.540   6.4358 16.02298 9.464497 
1 1 1    5   21   10 o  103.469   6.2973  696.623   82.715  706.959  116.001  685.933  117.977  104.290   8.7587  102.648   9.0504 1.642868 12.59465 
1 1 1    5   21   11 o  110.418   6.8156  869.074   86.830  568.276  138.371  1064.46  111.519   92.399   11.792  128.438   6.8372 -36.03945 13.63115 
1 1 1    5   21   12 o   76.809   10.743  418.912  100.866  410.734  137.637  428.399  148.247   76.202   14.756   77.416   15.618 -1.213799 21.48626 
1 1 1    5   21   13 o  109.019   10.821  793.669  149.816  793.669  149.816   0.0000   0.0000  109.019   10.821  ?   ?       ?      ? 
1 1 1    5   23    0 o  319.026   4.5577  6629.61  182.976  5714.71  261.850  7502.65  255.791  296.893   6.9450  341.158   5.9041 -44.26447 9.115466 
1 1 1    5   23    1 o  185.638   8.9729  2265.62  211.531  2265.62  211.531   0.0000   0.0000  185.638   8.9729  ?   ?       ?      ? 
1 1 1    5   23    2 o  298.423   6.9940  5778.21  265.055  5778.21  265.055   0.0000   0.0000  298.423   6.9940  ?   ?       ?      ? 
1 1 1    5   23    3 o  146.104   7.5013  1283.69  123.899  2480.98  210.514  649.154  153.253  194.456   8.5248   97.753   12.345 96.70207 15.00260 
1 1 1    5   23    4 o  ?   ?  -725.5432  105.412 -1059.1720  179.585 -550.1704  130.203  ?   ?   ?   ?       ?      ? 
1 1 1    5   23    5 o   24.700   8.6144 -281.8095   98.674 -403.7995  148.732 -185.9014  131.877   22.990   11.547   26.411   12.787 -3.420893 17.22872 
1 1 1    5   23    6 o   23.784   8.2744 -223.7159   85.990 -223.2612  131.883 -224.0521  113.412   25.134   12.304   22.433   11.066 2.700268 16.54887 
1 1 1    5   23    7 o  114.468   8.4198  907.921  119.088  847.965  187.017  948.813  154.450  110.151   13.369  118.785   10.239 -8.633606 16.83968 
1 1 1    5   23    8 f   87.659   10.402  572.533  109.037  434.922  161.007  689.112  148.193   75.169   17.234  100.148   11.652 -24.97929 20.80380 
1 1 1    5   23    9 o   68.390   11.983  356.982  102.263  410.497  160.623  320.503  132.613   72.191   17.665   64.589   16.197 7.602386 23.96634 
1 1 1    6    0    0 o  651.551   7.4581 26988.31  872.189 26988.31  872.189 26988.31  872.189  651.551   10.547  651.551   10.547 -0.000000 0.000000 
1 1 1    6    0    2 o  383.122   3.3775  9325.34  232.312  9325.34  232.312  9325.34  232.312  383.122   4.7765  383.122   4.7765 -0.000000 0.000000 
1 1 1    6    0    3 o  261.996   2.6249  4361.37  123.453  4361.37  123.453  4361.37  123.453  261.996   3.7122  261.996   3.7122 -0.000000 0.000000 
1 1 1    6    0    4 o  258.071   2.6143  4231.75  121.110  4231.75  121.110  4231.75  121.110  258.071   3.6971  258.071   3.6971 -0.000000 0.000000 
1 1 1    6    0    5 o   42.565   3.4172  119.435   25.253  119.435   25.253  119.435   25.253   42.565   4.8327   42.565   4.8327 -0.000000 0.000000 
1 1 1    6    0    6 o  713.763   5.7396 32373.62  735.530 32373.62  735.530 32373.62  735.530  713.763   8.1170  713.763   8.1170 -0.000000 0.000000 
1 1 1    6    0    8 o  140.899   2.3092  1262.69   58.362  1262.69   58.362  1262.69   58.362  140.899   3.2657  140.899   3.2657 -0.000000 0.000000 
1 1 1    6    0    9 o  113.103   2.4479  814.609   49.618  814.609   49.618  814.609   49.618  113.103   3.4619  113.103   3.4619 -0.000000 0.000000 
1 1 1    6    0   10 o  952.724   7.5258 57695.16  1287.32 57695.16  1287.32 57695.16  1287.32  952.724   10.643  952.724   10.643 -0.000000 0.000000 
1 1 1    6    0   11 o  868.289   6.8934 47915.30  1074.66 47915.30  1074.66 47915.30  1074.66  868.289   9.7488  868.289   9.7488 -0.000000 0.000000 
1 1 1    6    0   12 o  173.899   2.5075  1922.71   78.238  1922.71   78.238  1922.71   78.238  173.899   3.5461  173.899   3.5461 -0.000000 0.000000 
1 1 1    6    0   13 o  562.458   4.6652 20100.52  471.110 20100.52  471.110 20100.52  471.110  562.458   6.5977  562.458   6.5977 -0.000000 0.000000 
1 1 1    6    0   14 o   48.113   6.5416  162.325   50.487  162.325   50.487  162.325   50.487   48.113   9.2512   48.113   9.2512 -0.000000 0.000000 
1 1 1    6    0   15 o  624.016   5.1308 24740.83  574.830 24740.83  574.830 24740.83  574.830  624.016   7.2560  624.016   7.2560 -0.000000 0.000000 
1 1 1    6    0   16 o   18.343   8.5714 -17.5414   73.308 -17.5414   73.308 -17.5414   73.308   18.343   12.122   18.343   12.122 -0.000000 0.000000 
1 1 1    6    0   17 o  737.315   5.9585 34543.90  788.774 34543.90  788.774 34543.90  788.774  737.315   8.4265  737.315   8.4265 -0.000000 0.000000 
1 1 1    6    0   18 o  518.886   4.4243 17106.98  412.164 17106.98  412.164 17106.98  412.164  518.886   6.2569  518.886   6.2569 -0.000000 0.000000 
1 1 1    6    0   20 f   21.250   9.1164   26.296   64.576   26.296   64.576   26.296   64.576   21.250   12.893   21.250   12.893 -0.000000 0.000000 
1 1 1    6    0   21 o  444.238   3.9532 12545.60  315.283 12545.60  315.283 12545.60  315.283  444.238   5.5906  444.238   5.5906 -0.000000 0.000000 
1 1 1    6    0   22 o   19.979   8.9469   9.0174   69.180   9.0174   69.180   9.0174   69.180   19.979   12.653   19.979   12.653 -0.000000 0.000000 
1 1 1    6    0   23 o  183.804   3.2309  2150.49  106.503  2150.49  106.503  2150.49  106.503  183.804   4.5692  183.804   4.5692 -0.000000 0.000000 
1 1 1    6    0   24 o  293.346   3.3124  5472.43  174.406  5472.43  174.406  5472.43  174.406  293.346   4.6844  293.346   4.6844 -0.000000 0.000000 
1 1 1    6    0   25 o   23.220   10.079   28.015   81.052   28.015   81.052   28.015   81.052   23.220   14.254   23.220   14.254 -0.000000 0.000000 
1 1 1    6    0   26 o  187.549   3.5669  2241.21  119.947  2241.21  119.947  2241.21  119.947  187.549   5.0444  187.549   5.0444 -0.000000 0.000000 
1 1 1    6    0   27 f  141.630   5.2178  1288.04  131.898  1288.04  131.898  1288.04  131.898  141.630   7.3791  141.630   7.3791 -0.000000 0.000000 
1 1 1    6    0   28 o  139.008   4.5065  1238.02  111.966  1238.02  111.966  1238.02  111.966  139.008   6.3731  139.008   6.3731 -0.000000 0.000000 
1 1 1    6    0   29 o   98.071   6.1324  628.576  106.067  628.576  106.067  628.576  106.067   98.071   8.6725   98.071   8.6725 -0.000000 0.000000 
1 1 1    6    0   30 o  246.886   3.6741  3886.76  162.746  3886.76  162.746  3886.76  162.746  246.886   5.1960  246.886   5.1960 -0.000000 0.000000 
1 1 1    6    0   31 o   27.549   11.696   54.426  104.119   54.426  104.119   54.426  104.119   27.549   16.541   27.549   16.541 -0.000000 0.000000 
1 1 1    6    0   32 o   20.289   10.346 -320.1057  190.463 -320.1057  190.463 -320.1057  190.463   20.289   14.632   20.289   14.632 -0.000000 0.000000 
1 1 1    6    0   33 o   54.758   16.598  302.216  166.945  302.216  166.945  302.216  166.945   54.758   23.473   54.758   23.473 -0.000000 0.000000 
1 1 1    6    0   34 o   44.012   15.119  210.135  140.081  210.135  140.081  210.135  140.081   44.012   21.382   44.012   21.382 -0.000000 0.000000 
1 1 1    6    2    1 o  915.263   10.235 53272.34  1189.45 53927.03  1701.33 52646.39  1663.57  920.754   14.550  909.772   14.399 10.98181 20.47037 
1 1 1    6    2    3 o  281.746   2.7546  5038.50   98.532  4925.52  137.423  5158.02  141.351  278.498   3.8856  284.995   3.9056 -6.497192 5.509217 
1 1 1    6    2    4 o  848.440   9.5326 45769.92  1026.74 46538.44  1475.59 45048.60  1429.57  855.330   13.585  841.551   13.377 13.77875 19.06523 
1 1 1    6    2    5 o  508.941   4.2600 16452.77  275.325 16549.15  391.323 16358.28  387.443  510.417   6.0372  507.466   6.0121 2.951141 8.520097 
1 1 1    6    2    6 o  1218.34   19.101 94680.28  2955.36 94680.28  2955.36   0.0000   0.0000  1218.34   19.101  ?   ?       ?      ? 
1 1 1    6    2    7 o  836.978   8.1762 44380.32  814.810 44046.34  990.849 45077.89  1431.99  832.390   9.3735  841.566   13.399 -9.176758 16.35234 
1 1 1    6    2    8 o  153.255   2.3015  1485.26   44.636  1320.69   61.159  1672.82   65.293  144.210   3.3396  162.301   3.1679 -18.09187 4.603069 
1 1 1    6    2    9 o  596.185   4.8952 22565.90  370.426 23068.42  534.435 22101.26  513.892  602.565   6.9842  589.804   6.8610 12.76044 9.790374 
1 1 1    6    2   10 o  420.849   3.6762 11249.05  196.469 11315.63  279.241 11183.79  276.478  422.082   5.2096  419.616   5.1884 2.465515 7.352495 
1 1 1    6    2   11 o  166.683   2.4098  1764.63   50.985  1697.14   71.903  1832.88   72.306  163.477   3.4635  169.889   3.3514 -6.412842 4.819531 
1 1 1    6    2   12 o  570.383   6.6719 20667.79  483.276   0.0000   0.0000 20667.79  483.276  ?   ?   570.383   6.6719      ?      ? 
1 1 1    6    2   13 o  357.750   3.3199  8128.17  150.824  8162.16  214.206  8094.76  212.401  358.491   4.7052  357.009   4.6849 1.482880 6.639793 
1 1 1    6    2   14 o  1278.54   10.001 103973.60  1623.69 104882.80  2316.27 103095.30  2276.72  1284.02   14.205  1273.05   14.083 10.96802 20.00257 
1 1 1    6    2   15 o  843.477   6.7400 45210.40  721.939 45044.20  1017.28 45379.05  1024.72  841.916   9.5146  845.037   9.5489 -3.121033 13.47993 
1 1 1    6    2   16 o  663.746   7.6988 27989.15  648.940   0.0000   0.0000 27989.15  648.940  ?   ?   663.746   7.6988      ?      ? 
1 1 1    6    2   17 o  129.753   3.5174  1066.63   57.887  1008.02   79.628  1132.32   84.301  125.982   4.9772  133.524   4.9716 -7.541756 7.034842 
1 1 1    6    2   18 o  364.955   3.4639  8444.83  160.361  8157.87  220.553  8766.69  233.577  358.390   4.8460  371.520   4.9507 -13.13037 6.927715 
1 1 1    6    2   19 f  874.328   6.9747 48608.82  774.213 47906.15  1079.82 49352.17  1110.64  867.839   9.7979  880.818   9.9291 -12.97949 13.94940 
1 1 1    6    2   20 o  129.131   3.6503  1059.38   59.823  1112.29   85.423  1008.46   83.804  132.296   5.0845  125.967   5.2388 6.328857 7.300519 
1 1 1    6    2   21 o   91.170   4.7339  525.051   54.187  423.105   73.504  646.412   80.198   81.535   7.0989  100.806   6.2647 -19.27109 9.467864 
1 1 1    6    2   22 o  232.972   3.0923  3450.06   91.483  3471.10  128.881  3428.70  129.878  233.690   4.3428  232.255   4.4034 1.435104 6.184689 
1 1 1    6    2   23 o   72.094   9.1980  359.173   67.248  306.125  141.764  374.577   76.389   67.531   16.639   76.658   7.8469 -9.126122 18.39605 
1 1 1    6    2   24 o  430.794   3.9389 11801.48  215.367 12075.07  310.989 11549.36  298.542  435.578   5.6221  426.009   5.5183 9.569275 7.877843 
1 1 1    6    2   25 f  183.954   3.3539  2153.09   78.343  2120.81  110.888  2185.25  110.699  182.575   4.7826  185.333   4.7034 -2.758789 6.707860 
1 1 1    6    2   26 o  284.962   3.3729  5168.25  122.052  5187.02  173.705  5149.95  171.532  285.470   4.7915  284.454   4.7485 1.015778 6.745885 
1 1 1    6    2   27 o  285.477   5.0316  5063.66  162.133  5518.97  317.688  4903.30  188.535  293.542   8.5222  277.412   5.3517 16.12985 10.06325 
1 1 1    6    2   28 o   78.691   10.849  452.820   88.482  340.420  182.562  487.329  101.157   70.278   19.676   87.103   9.1450 -16.82520 21.69728 
1 1 1    6    2   29 o  295.189   4.5542  5535.85  151.959  5652.60  292.482  5492.69  177.847  296.835   7.7590  293.543   4.7709 3.292938 9.108418 
1 1 1    6    2   30 o  144.982   6.3458  1206.57   97.210  1649.09  219.933  1099.13  108.370  159.027   10.890  130.937   6.5173 28.08926 12.69153 
1 1 1    6    2   31 o   37.170   11.583  -7.1372   91.784   9.8573  188.566 -12.4137  105.071   42.853   18.619   31.487   13.785 11.36545 23.16691 
1 1 1    6    2   32 o  304.440   5.6586  5937.14  193.905  6297.11  378.000  5808.58  225.890  308.716   9.6417  300.164   5.9260 8.552612 11.31725 
1 1 1    6    2   33 o   89.586   10.082  512.938   93.449  703.793  206.252  463.638  104.825   96.107   17.546   83.065   9.9374 13.04207 20.16446 
1 1 1    6    2   34 o   97.894   11.718  716.860  140.249  913.512  224.653  591.268  179.533  109.261   16.191   86.526   16.945 22.73507 23.43663 
1 1 1    6    4    0 o  387.354   4.2105  9608.20  196.582  9783.21  243.599  9281.41  332.872  392.476   4.8875  382.232   6.8576 10.24368 8.421056 
1 1 1    6    4    1 o  490.889   4.7773 15461.32  261.388 15631.55  304.803 14988.13  508.164  496.105   4.8380  485.673   8.2392 10.43207 9.554590 
1 1 1    6    4    2 o  876.859   8.4422 49636.74  909.849 52118.55  1166.48 45781.06  1453.93  905.465   10.144  848.253   13.497 57.21161 16.88436 
1 1 1    6    4    4 o  672.321   6.2640 29054.70  470.798 29424.41  550.154 28043.24  909.973  680.563   6.3656  664.079   10.790 16.48413 12.52796 
1 1 1    6    4    5 o  350.062   3.9478  7973.76  169.498  8652.66  219.091  6961.66  267.505  369.095   4.6742  331.029   6.3634 38.06586 7.895629 
1 1 1    6    4    6 o  131.650   2.3039  1046.74   37.558  824.196   47.523  1417.01   61.299  113.923   3.2848  149.376   3.2314 -35.45369 4.607858 
1 1 1    6    4    7 o  695.547   7.0180 30178.45  576.977 32331.00  1041.12 29224.31  693.157  712.958   11.499  678.135   8.0489 34.82318 14.03609 
1 1 1    6    4    8 o  558.967   4.8004 19726.38  339.105 18672.02  453.453 21064.20  510.784  542.135   6.5864  575.798   6.9854 -33.66278 9.600824 
1 1 1    6    4    9 o  535.246   4.5535 18036.09  307.529 16840.67  407.855 19611.30  468.182  514.883   6.2376  555.609   6.6354 -40.72601 9.106953 
1 1 1    6    4   10 o  534.963   5.5229 18001.27  350.220 18691.01  624.137 17684.29  423.108  542.304   9.0627  527.622   6.3147 14.68188 11.04574 
1 1 1    6    4   11 o  829.993   8.1970 43821.22  813.380 43762.21  1412.21 43850.51  994.988  829.368   13.408  830.618   9.4328 -1.249695 16.39393 
1 1 1    6    4   12 o  247.167   3.2398  3873.36   97.839  3855.95  122.518  3904.00  162.551  246.409   3.9153  247.925   5.1629 -1.515701 6.479567 
1 1 1    6    4   13 o  807.727   6.4771 41427.59  664.008 40576.16  920.374 42351.81  958.909  799.085   9.0697  816.369   9.2494 -17.28448 12.95419 
1 1 1    6    4   14 o  632.409   5.2077 25404.44  418.203 25596.07  595.833 25218.38  587.119  634.758   7.3916  630.060   7.3378 4.698425 10.41534 
1 1 1    6    4   15 o  669.336   5.4833 28449.22  465.929 28948.54  669.504 27980.26  648.828  675.026   7.8101  663.646   7.6987 11.38013 10.96662 
1 1 1    6    4   16 o  266.810   4.2766  4520.92  144.904   0.0000   0.0000  4520.92  144.904  ?   ?   266.810   4.2766      ?      ? 
1 1 1    6    4   17 o  364.952   3.4507  8441.36  159.732  8101.26  219.406  8824.90  232.996  357.148   4.8375  372.756   4.9220 -15.60818 6.901316 
1 1 1    6    4   18 o  552.974   5.4709 19162.08  327.360 19952.63  677.179 18920.99  373.959  560.187   9.5190  545.763   5.3956 14.42395 10.94189 
1 1 1    6    4   19 o  312.251   3.9289  6242.80  134.785  6102.95  268.398  6289.96  155.864  309.828   6.8215  314.673   3.9004 -4.845642 7.857875 
1 1 1    6    4   20 o  569.242   5.5934 20699.99  352.103 20487.32  696.221 20773.07  408.146  566.895   9.6709  571.588   5.6228 -4.693420 11.18670 
1 1 1    6    4   21 o  120.202   5.4841  859.512   64.330  1017.48  157.667  827.961   70.462  126.280   9.8317  114.123   4.8619 12.15732 10.96815 
1 1 1    6    4   22 o  403.132   4.5302 10300.53  197.618 10426.71  405.858 10261.31  226.250  404.492   7.9011  401.771   4.4344 2.721405 9.060394 
1 1 1    6    4   23 o  106.918   6.2928  746.196   67.360  703.015  151.033  756.918   75.260  104.764   11.352  109.072   5.4334 -4.308357 12.58553 
1 1 1    6    4   24 o   82.088   8.4312  373.621   67.097  530.460  172.005  345.471   72.870   90.594   14.951   73.583   7.7982 17.01085 16.86234 
1 1 1    6    4   25 o   87.625   8.7690  484.705   70.810  528.593  174.506  476.055   77.474   88.871   16.053   86.380   7.0627 2.490891 17.53805 
1 1 1    6    4   26 o   37.915   11.161   38.572   75.015 -13.7882  172.908   50.713   83.259   41.302   17.887   34.528   13.353 6.773563 22.32172 
1 1 1    6    4   27 o  172.028   6.4541  1773.77  127.553  2198.98  249.124  1622.70  148.493  184.750   10.618  159.307   7.3400 25.44366 12.90823 
1 1 1    6    4   28 o  104.668   8.1140  720.529   87.128  689.760  189.251  728.804   98.149  102.618   14.522  106.717   7.2422 -4.098511 16.22799 
1 1 1    6    4   29 o   66.255   12.115  272.614   83.727  354.894  201.506  255.444   92.049   70.962   20.930   61.549   12.208 9.413521 24.23013 
1 1 1    6    4   30 o  260.207   4.8441  4313.02  132.147  4419.70  284.111  4283.56  149.277  261.368   8.5597  259.046   4.5377 2.321625 9.688119 
1 1 1    6    4   31 f   36.339   11.222   12.502   89.326 -158.2629  203.852   53.083   99.375   36.712   17.233   35.967   14.380 0.7450027 22.44426 
1 1 1    6    4   32 o   25.229   9.0591 -449.0207  116.979 -501.1782  222.228 -429.0288  137.584   29.343   14.645   21.115   10.668 8.227951 18.11823 
1 1 1    6    4   33 o   44.799   13.431   93.732  131.710   38.491  218.985  125.042  164.864   43.988   19.551   45.610   18.420 -1.621441 26.86148 
1 1 1    6    6    0 o  382.209   3.4160  9244.88  165.441  9783.38  244.089  8787.28  225.010  392.465   4.8975  371.953   4.7636 20.51239 6.832059 
1 1 1    6    6    1 o  207.508   2.4792  2729.98   65.276  2591.45   90.305  2881.56   94.464  202.005   3.5202  213.012   3.4921 -11.00746 4.958498 
1 1 1    6    6    2 o  1150.19   11.022 84717.93  1530.06 85729.63  1895.91 82828.27  2591.10  1160.68   12.863  1139.70   17.903 20.98328 22.04420 
1 1 1    6    6    3 f  351.352   3.2245  7804.70  143.486  7365.23  194.382  8330.88  212.693  340.535   4.4949  362.168   4.6245 -21.63354 6.449020 
1 1 1    6    6    4 o  1150.69   12.781 84313.25  1865.69 82105.48  2568.93 86777.47  2714.02  1134.83   17.825  1166.54   18.320 -31.70789 25.56141 
1 1 1    6    6    5 o  648.710   6.0581 27248.15  444.519 27882.31  524.446 25630.16  837.706  662.503   6.2335  634.917   10.390 27.58630 12.11611 
1 1 1    6    6    6 o  991.876   9.6080 62538.29  1141.14 62405.13  1397.17 62805.09  1977.71  990.650   11.106  993.102   15.682 -2.452271 19.21598 
1 1 1    6    6    7 o  587.118   5.9881 21830.97  421.818 21679.77  516.856 22132.56  729.942  584.162   6.9672  590.074   9.7410 -5.912598 11.97620 
1 1 1    6    6    8 o  460.444   8.0138 13471.39  468.589 13471.39  468.589   0.0000   0.0000  460.444   8.0138  ?   ?       ?      ? 
1 1 1    6    6    9 o  566.318   6.6809 20384.12  480.474 20399.86  680.920 20368.51  678.075  566.534   9.4644  566.101   9.4320 0.4336548 13.36181 
1 1 1    6    6   10 o  273.338   4.2902  4741.28  148.683  4823.85  217.273  4668.56  203.901  275.572   6.2086  271.105   5.9225 4.466980 8.580379 
1 1 1    6    6   11 o  1652.74   18.234 174496.00  3825.78 171774.70  5327.22 177394.41  5497.77  1639.52   25.586  1665.95   25.986 -26.43567 36.46842 
1 1 1    6    6   12 o  827.703   9.3810 43540.55  985.601 42672.46  1368.90 44474.95  1420.22  819.153   13.159  836.253   13.373 -17.10046 18.76193 
1 1 1    6    6   13 o  603.086   7.1448 22978.22  544.797 24542.28  818.235 21732.69  730.180  621.396   10.369  584.776   9.8325 36.62000 14.28956 
1 1 1    6    6   14 o  764.893   8.7826 37129.20  851.949 35859.87  1168.42 38570.12  1244.89  750.977   12.252  778.809   12.587 -27.83197 17.56517 
1 1 1    6    6   15 o  565.363   6.8096 20307.30  488.736 20555.18  702.094 20074.26  680.753  568.704   9.7215  562.021   9.5380 6.682556 13.61914 
1 1 1    6    6   16 o  415.653   5.5070 10921.91  289.532 11578.81  433.358 10392.26  389.125  426.878   7.9940  404.429   7.5765 22.44873 11.01398 
1 1 1    6    6   17 o  449.823   4.7454 12879.12  232.552 12814.49  471.027 12899.96  267.416  448.992   8.2609  450.655   4.6727 -1.662933 9.490891 
1 1 1    6    6   18 o  383.789   4.3441  9432.70  177.789  9233.34  369.856  9492.61  202.750  381.021   7.6438  386.558   4.1302 -5.537048 8.688226 
1 1 1    6    6   19 o  156.760   4.5663  1527.85   58.991  1609.99  172.709  1517.00   62.766  158.986   8.5542  154.534   3.1983 4.451752 9.132560 
1 1 1    6    6   20 o  444.762   4.7430 12806.68  229.751 12163.55  459.872 13020.60  265.222  436.928   8.2880  452.595   4.6145 -15.66690 9.485991 
1 1 1    6    6   21 o  246.639   4.1445  3916.69   98.170  3799.10  234.181  3941.76  108.130  244.205   7.5513  249.072   3.4186 -4.866989 8.289037 
1 1 1    6    6   22 o  214.552   4.0222  3012.64   85.058  2797.48  194.069  3063.80   94.631  209.526   7.2936  219.578   3.3937 -10.05211 8.044428 
1 1 1    6    6   23 o  132.012   5.1166  1087.46   61.934  1145.58  159.639  1077.17   67.197  133.860   9.3910  130.163   4.0653 3.697021 10.23311 
1 1 1    6    6   24 o  325.957   4.3173  6704.78  142.622  6878.29  321.717  6662.34  159.112  328.219   7.7185  323.695   3.8707 4.523743 8.634666 
1 1 1    6    6   25 o  122.093   6.7838  960.716   68.251  949.715  196.158  962.231   72.800  121.230   12.741  122.956   4.6623 -1.726295 13.56763 
1 1 1    6    6   26 o  371.826   8.3673  8855.57  395.094  8855.57  395.094   0.0000   0.0000  371.826   8.3673  ?   ?       ?      ? 
1 1 1    6    6   27 o  325.775   4.5127  6737.57  148.709  6844.81  335.297  6711.31  165.921  326.814   8.0789  324.736   4.0234 2.077545 9.025305 
1 1 1    6    6   28 o  211.239   4.8521  2880.98   97.532  2820.35  235.504  2893.53  107.154  209.302   8.8603  213.176   3.9581 -3.873306 9.704177 
1 1 1    6    6   29 o   77.908   10.593  325.920   72.717  555.380  208.740  294.228   77.576   88.386   19.150   67.430   9.0594 20.95612 21.18517 
1 1 1    6    6   30 o  144.648   5.8613  1237.76   77.533  1540.61  207.529  1188.63   83.585  152.985   10.682  136.310   4.8286 16.67522 11.72263 
1 1 1    6    6   31 o  205.386   7.0736  2836.50  179.379  2592.31  281.178  3004.10  232.938  196.673   11.258  214.099   8.5674 -17.42674 14.14715 
1 1 1    6    6   32 o  103.696   10.348  818.973  121.956  558.106  187.606  1009.89  160.493   85.051   17.934  122.341   10.330 -37.28996 20.69660 
1 1 1    6    6   33 o   53.332   14.242  205.099  121.912  342.126  227.178  149.678  144.477   60.889   22.378   45.775   17.621 15.11341 28.48312 
1 1 1    6    8    0 o  366.371   3.3463  8506.64  155.477  8870.73  227.284  8186.42  213.150  373.722   4.7890  359.020   4.6751 14.70190 6.692579 
1 1 1    6    8    1 o  576.916   4.7655 21144.46  349.134 21153.38  494.575 21135.59  492.931  577.037   6.7492  576.795   6.7296 0.2419434 9.530916 
1 1 1    6    8    2 o  414.772   3.6548 10926.47  192.500 10968.39  273.811 10885.49  270.687  415.558   5.1885  413.986   5.1488 1.572418 7.309624 
1 1 1    6    8    3 o  466.283   3.9995 13738.57  235.974 14632.02  352.403 13012.34  317.720  479.951   5.7818  452.616   5.5276 27.33548 7.999002 
1 1 1    6    8    4 o  903.657   8.8006 51565.11  943.157 50905.56  1141.31 52985.58  1674.92  894.881   10.043  912.433   14.455 -17.55200 17.60123 
1 1 1    6    8    5 o  748.053   6.0124 35532.80  570.847 34788.73  791.600 36338.97  823.973  739.905   8.4246  756.200   8.5802 -16.29504 12.02476 
1 1 1    6    8    6 o  447.373   3.8859 12712.48  220.767 12709.28  313.097 12715.64  311.334  447.316   5.5117  447.429   5.4793 -0.1127930 7.771843 
1 1 1    6    8    7 o  312.213   3.0667  6161.83  121.288  5779.04  164.614  6616.44  179.392  301.656   4.2971  322.771   4.3765 -21.11511 6.133459 
1 1 1    6    8    8 o  274.186   3.4579  4681.65  101.716  4603.48  115.636  4948.97  213.838  269.243   3.3820  279.129   6.0326 -9.885986 6.915896 
1 1 1    6    8    9 o  286.231   3.5342  5162.09  108.729  5126.39  123.997  5280.87  226.177  284.124   3.4366  288.338   6.1769 -4.214111 7.068498 
1 1 1    6    8   10 o  484.498   6.0105 14888.27  369.269 15373.81  540.047 14461.92  506.058  491.899   8.6453  477.098   8.3525 14.80103 12.02100 
1 1 1    6    8   11 o  577.445   6.9180 21148.25  506.448 21888.02  742.568 20504.87  692.502  586.858   9.9638  568.031   9.6000 18.82660 13.83610 
1 1 1    6    8   12 o  1205.93   13.417 92641.05  2054.57 93450.88  2932.55 91860.32  2879.39  1211.09   19.067  1200.78   18.883 10.31128 26.83501 
1 1 1    6    8   13 o  445.254   5.8233 12569.70  328.918 11976.54  452.839 13232.12  478.546  434.159   8.2133  456.349   8.2575 -22.18918 11.64665 
1 1 1    6    8   14 o  408.143   5.4933 10577.16  284.590 10139.84  397.300 11038.00  407.849  399.482   7.8315  416.804   7.7053 -17.32147 10.98653 
1 1 1    6    8   15 o  552.244   6.7163 19380.65  470.803 19652.69  678.037 19127.38  654.233  555.977   9.6033  548.511   9.3922 7.465271 13.43268 
1 1 1    6    8   16 o  674.705   7.8749 28966.37  674.322 29586.44  974.467 28396.63  934.085  681.607   11.258  667.803   11.014 13.80402 15.74978 
1 1 1    6    8   17 o  767.040   8.8347 37501.75  859.353 38823.91  1256.42 36339.53  1177.98  779.651   12.690  754.429   12.295 25.22241 17.66948 
1 1 1    6    8   18 o  544.432   6.6463 18820.40  458.111 19858.59  680.875 17961.68  619.236  558.044   9.6077  530.821   9.1861 27.22375 13.29259 
1 1 1    6    8   19 o  270.164   4.7071  4629.08  161.014  4847.50  239.010  4447.58  217.871  275.963   6.8200  264.366   6.4896 11.59778 9.414232 
1 1 1    6    8   20 o  153.310   5.6849  1507.44  109.998  1360.17  158.881  1643.00  152.439  146.034   8.5672  160.586   7.4750 -14.55191 11.36984 
1 1 1    6    8   21 o   45.332   12.234   95.448   96.625   50.295  163.236  119.802  119.885   44.570   18.207   46.093   16.345 -1.523289 24.46725 
1 1 1    6    8   22 f  233.608   7.9053  3482.71  234.522  3482.71  234.522   0.0000   0.0000  233.608   7.9053  ?   ?       ?      ? 
1 1 1    6    8   23 o  114.013   7.9990  842.558  112.325  805.379  180.271  866.154  143.610  111.759   12.702  116.267   9.7264 -4.508148 15.99808 
1 1 1    6    8   24 o  269.133   5.0331  4630.11  171.365  4563.64  252.628  4686.77  233.228  267.272   7.4430  270.995   6.7771 -3.722778 10.06616 
1 1 1    6    8   25 o  198.042   6.6168  2576.08  161.460  2233.79  250.768  2818.46  211.019  186.235   10.603  209.848   7.9184 -23.61328 13.23358 
1 1 1    6    8   26 o  285.014   5.4649  5176.91  195.304  5358.39  303.360  5048.44  255.234  289.086   8.2633  280.942   7.1539 8.143829 10.92982 
1 1 1    6    8   27 o  175.463   6.5802  1966.03  143.096  2071.03  231.402  1901.01  182.086  178.957   10.182  171.968   8.3378 6.988968 13.16035 
1 1 1    6    8   28 o   58.632   14.623  215.624  132.084  263.292  216.509  187.366  166.697   62.829   21.993   54.435   19.277 8.393505 29.24557 
1 1 1    6    8   29 o   96.501   11.168  680.817  125.867  473.267  191.442  838.844  167.048   80.463   19.033  112.539   11.689 -32.07577 22.33585 
1 1 1    6    8   30 o   46.384   13.617   17.928  156.123 -363.0976  264.019  222.802  193.598   36.421   17.738   56.348   20.666 -19.92738 27.23452 
1 1 1    6    8   31 o  163.544   6.9026  1777.96  141.433  1865.53  220.638  1716.88  184.271  166.329   10.446  160.758   9.0263 5.572006 13.80521 
1 1 1    6    8   32 o   39.711   12.418 -26.4654  117.300  175.063  208.672 -119.5639  141.830   49.924   20.511   29.499   14.005 20.42467 24.83659 
1 1 1    6   10    0 o  642.031   5.2468 26183.40  427.726 26437.28  610.979 25939.38  598.990  645.081   7.4582  638.981   7.3817 6.099792 10.49351 
1 1 1    6   10    1 o  445.848   3.8913 12593.61  219.936 13145.56  322.928 12116.07  300.368  454.934   5.5896  436.761   5.4154 18.17294 7.782689 
1 1 1    6   10    2 o  576.297   4.7834 21079.06  349.839 21582.57  506.090 20618.28  484.134  582.880   6.8371  569.715   6.6916 13.16455 9.566781 
1 1 1    6   10    3 f  442.445   3.8769 12370.46  217.085 13175.91  323.744 11712.43  292.620  455.462   5.5972  429.428   5.3658 26.03381 7.753759 
1 1 1    6   10    4 o  508.456   4.3221 16420.70  279.065 16471.46  396.603 16370.91  392.741  509.234   6.1328  507.678   6.0917 1.555511 8.644116 
1 1 1    6   10    5 o  1205.12   9.4440 92341.09  1445.08 91333.48  2021.84 93393.40  2066.19  1198.41   13.285  1211.83   13.426 -13.41907 18.88800 
1 1 1    6   10    6 o   85.737   6.3507  466.913   69.145  466.913   69.145   0.0000   0.0000   85.737   6.3507  ?   ?       ?      ? 
1 1 1    6   10    7 o  816.172   6.5453 42323.39  678.311 42745.91  968.951 41917.34  949.886  820.163   9.3030  812.182   9.2096 7.981384 13.09056 
1 1 1    6   10    8 o  443.426   5.6538 12488.65  318.378 12488.65  318.378   0.0000   0.0000  443.426   5.6538  ?   ?       ?      ? 
1 1 1    6   10    9 o  941.534   7.5005 56333.05  896.617 55626.27  1252.26 57076.54  1284.37  935.482   10.541  947.585   10.673 -12.10358 15.00096 
1 1 1    6   10   10 o  301.483   4.1515  5805.45  147.578  5861.06  178.662  5686.02  261.828  303.787   4.6311  299.178   6.8914 4.608521 8.302935 
1 1 1    6   10   11 o  696.340   6.6274 30858.69  516.786 30905.33  602.722 30729.21  1004.22  697.487   6.8046  695.192   11.375 2.295715 13.25479 
1 1 1    6   10   12 o  662.692   7.7712 27897.22  653.572 27145.84  904.438 28718.38  945.511  653.371   10.900  672.013   11.079 -18.64203 15.54247 
1 1 1    6   10   13 o  146.985   5.8958  1371.64  109.882  1404.67  160.644  1342.60  150.631  148.642   8.5103  145.328   8.1618 3.313782 11.79156 
1 1 1    6   10   14 o  199.682   5.0205  2551.84  126.049  2401.00  188.822  2673.10  169.294  194.302   7.6524  205.062   6.5010 -10.76003 10.04100 
1 1 1    6   10   15 o  449.260   5.8273 12837.18  332.288 12323.23  462.100 13387.48  478.164  439.954   8.2709  458.567   8.2110 -18.61295 11.65453 
1 1 1    6   10   16 o  501.275   6.2735 15995.01  398.954 16419.00  580.068 15614.42  549.578  507.545   8.9997  495.006   8.7426 12.53903 12.54701 
1 1 1    6   10   17 o  211.605   5.0138  2853.56  134.595  2750.27  192.240  2952.89  188.508  207.830   7.2838  215.381   6.8920 -7.550888 10.02762 
1 1 1    6   10   18 o   71.607   11.111  335.906   98.118  422.147  149.151  270.111  130.276   79.693   15.294   63.521   16.122 16.17264 22.22235 
1 1 1    6   10   19 o  187.616   5.3184  2259.54  124.960  2138.88  190.464  2350.73  165.577  183.121   8.1903  192.111   6.7869 -8.990494 10.63683 
1 1 1    6   10   20 o  201.453   5.1516  2605.92  130.683  2409.54  193.193  2771.58  177.438  194.342   7.8279  208.564   6.6993 -14.22131 10.30327 
1 1 1    6   10   21 o   44.266   12.482   65.339  105.451   96.437  157.783   40.237  141.760   47.316   18.359   41.216   16.917 6.099682 24.96422 
1 1 1    6   10   22 o  136.789   7.2453  1194.15  125.233  1269.28  188.694  1135.01  167.421  140.564   10.571  133.015   9.9113 7.548767 14.49056 
1 1 1    6   10   23 o  157.897   7.3791  1596.12  146.396  1650.98  225.565  1556.19  192.430  160.101   11.094  155.692   9.7326 4.409286 14.75827 
1 1 1    6   10   24 o   40.587   12.202   8.2333  108.745   36.998  167.836 -12.5803  142.767   43.706   18.215   37.468   16.240 6.237526 24.40379 
1 1 1    6   10   25 o  106.560   9.3018  742.940  123.207  726.200  193.876  754.280  159.574  105.250   14.505  107.869   11.649 -2.618721 18.60369 
1 1 1    6   10   26 f  181.599   6.5307  2131.11  146.023  2117.15  236.947  2139.66  185.417  180.752   10.323  182.445   8.0028 -1.692795 13.06142 
1 1 1    6   10   27 o  177.598   6.7263  2085.60  145.755  1901.84  235.652  2199.45  185.493  170.534   10.881  184.662   7.9099 -14.12773 13.45256 
1 1 1    6   10   28 o  106.815   11.053  756.357  142.282  1064.44  227.457  558.315  182.366  125.168   14.310   88.462   16.849 36.70637 22.10529 
1 1 1    6   10   29 f  247.542   7.0167  3964.72  217.568  4699.04  344.077  3475.52  280.841  265.887   10.190  229.197   9.6488 36.68999 14.03348 
1 1 1    6   10   30 o   50.652   13.726  179.711  123.711  190.606  174.130  168.608  175.790   51.478   19.458   49.827   19.365 1.651169 27.45228 
1 1 1    6   12    0 o  621.073   5.1726 24497.92  407.864 24802.52  584.795 24209.41  569.136  624.829   7.3700  617.318   7.2599 7.511230 10.34516 
1 1 1    6   12    1 o  481.619   5.1898 14806.94  302.156 14971.33  374.940 14502.40  510.329  485.489   6.0814  477.748   8.4115 7.740875 10.37963 
1 1 1    6   12    2 o  566.506   4.7761 20326.90  342.871 21271.59  505.248 19520.47  466.814  578.666   6.8754  554.345   6.6311 24.32117 9.552112 
1 1 1    6   12    3 o  311.618   3.3167  6167.67  131.224  6014.88  185.330  6321.28  185.829  307.746   4.7421  315.489   4.6382 -7.742401 6.633326 
1 1 1    6   12    4 o  352.342   3.4592  7855.46  154.385  8280.40  228.481  7498.45  209.427  361.077   4.9828  343.608   4.7994 17.46875 6.918305 
1 1 1    6   12    5 f  375.651   3.5960  8950.34  171.384  9234.42  249.006  8694.63  236.245  381.306   5.1423  369.996   5.0279 11.30997 7.191902 
1 1 1    6   12    6 o  271.240   3.1666  4673.69  109.005  4635.87  156.632  4709.22  151.794  270.174   4.5652  272.306   4.3896 -2.131317 6.333179 
1 1 1    6   12    7 f  574.315   4.8257 20941.38  351.760 21328.48  507.607 20583.75  487.904  579.415   6.8986  569.216   6.7496 10.19916 9.651321 
1 1 1    6   12    8 o  285.178   3.1540  5168.27  114.146  5061.79  163.390  5269.78  159.534  282.306   4.5575  288.051   4.3612 -5.744873 6.308017 
1 1 1    6   12    9 o  421.236   3.8312 11269.20  204.921 11050.59  287.170 11496.00  292.506  417.075   5.4218  425.398   5.4146 -8.322693 7.662493 
1 1 1    6   12   10 o  132.940   3.0641  1118.98   51.571  1167.65   76.558  1078.55   69.778  135.576   4.4466  130.304   4.2168 5.272507 6.128104 
1 1 1    6   12   11 o  148.944   4.5172  1468.46   72.356  1524.19   83.531  1300.99  144.806  154.889   4.2467  142.998   7.9740 11.89142 9.034330 
1 1 1    6   12   12 o  384.742   4.2807  9696.29  185.499 10053.30  219.138  8793.76  348.425  397.753   4.3384  371.732   7.3808 26.02097 8.561378 
1 1 1    6   12   13 o  193.715   5.2146  2377.04  127.457  2488.30  193.216  2291.32  169.589  197.686   7.6964  189.743   7.0381 7.943039 10.42926 
1 1 1    6   12   14 o  307.418   4.9625  6015.14  193.658  6044.48  278.158  5987.54  269.781  308.135   7.1084  306.701   6.9266 1.434631 9.925062 
1 1 1    6   12   15 o  235.402   4.9227  3527.49  146.523  3536.54  217.706  3519.99  198.107  235.648   7.2749  235.156   6.6339 0.4927521 9.845433 
1 1 1    6   12   16 f  288.327   4.9393  5300.97  179.525  5244.34  270.011  5345.83  240.345  286.889   7.4112  289.764   6.5315 -2.875366 9.878593 
1 1 1    6   12   17 o   76.948   10.597  384.497   97.525  405.939  164.057  372.779  121.281   77.697   17.091   76.198   12.533 1.498177 21.19439 
1 1 1    6   12   18 o  228.557   5.0980  3350.23  146.584  3170.18  219.452  3495.27  196.968  222.906   7.7525  234.209   6.6224 -11.30269 10.19593 
1 1 1    6   12   19 o  132.065   7.1192  1114.94  118.669  1143.51  178.903  1092.49  158.576  133.511   10.552  130.618   9.5600 2.893219 14.23836 
1 1 1    6   12   20 o   46.551   12.598   49.995  110.886  210.411  173.720 -60.3010  144.048   58.146   19.726   34.957   15.674 23.18932 25.19509 
1 1 1    6   12   21 o   85.132   12.449  510.769  128.754  381.432  205.101  594.887  165.407   74.499   20.854   95.765   13.601 -21.26605 24.89753 
1 1 1    6   12   22 o   38.611   12.360 -95.2470  131.580 -187.5091  204.102 -29.6324  172.122   37.040   17.341   40.183   17.617 -3.143387 24.71938 
1 1 1    6   12   23 o  266.738   5.5170  4561.42  186.755  4461.83  267.157  4656.60  261.166  263.836   7.9736  269.640   7.6270 -5.804749 11.03404 
1 1 1    6   12   24 o  111.030   9.8466  827.966  135.567  676.735  200.666  954.948  183.875  100.999   15.645  121.060   11.960 -20.06172 19.69315 
1 1 1    6   12   25 o   50.571   18.710  148.138  159.258   0.0000   0.0000  148.138  159.258  ?   ?    50.571   18.710      ?      ? 
1 1 1    6   12   26 o   77.409   13.762  449.303  138.727  315.831  204.737  562.602  188.630   65.863   21.390   88.955   17.321 -23.09151 27.52338 
1 1 1    6   12   27 o   36.362   17.017 -138.2484  196.244   0.0000   0.0000 -138.2484  196.244  ?   ?    36.362   17.017      ?      ? 
1 1 1    6   14    0 o  342.744   3.4107  7460.76  148.426  7560.04  212.390  7365.99  207.507  344.971   4.8481  340.517   4.7986 4.454407 6.821370 
1 1 1    6   14    1 o  442.762   3.9697 12456.63  223.189 12401.92  317.198 12510.28  314.099  441.797   5.6537  443.727   5.5741 -1.930023 7.939412 
1 1 1    6   14    2 o   86.838   5.2066  479.592   57.131  477.653   85.064  481.185   77.112   86.673   7.7283   87.004   6.9792 -0.3309402 10.41321 
1 1 1    6   14    3 o  292.245   3.2479  5428.38  120.421  5134.78  169.864  5725.02  170.742  284.293   4.7050  300.196   4.4788 -15.90335 6.495849 
1 1 1    6   14    4 o  331.006   3.3921  6955.42  142.432  7085.19  207.075  6838.90  196.222  333.930   4.8831  328.082   4.7096 5.847534 6.784182 
1 1 1    6   14    5 o  470.114   5.1406 14161.07  289.012 13745.35  497.799 14372.44  354.963  464.731   8.4348  475.496   5.8784 -10.76547 10.28112 
1 1 1    6   14    6 o  565.536   4.7732 20333.93  342.662 20630.31  493.058 20057.06  476.559  569.511   6.8174  561.562   6.6825 7.949158 9.546365 
1 1 1    6   14    7 o  442.069   3.9702 12426.16  222.869 12312.79  315.941 12538.44  314.432  440.057   5.6535  444.080   5.5756 -4.022339 7.940355 
1 1 1    6   14    8 o  445.172   3.9982 12602.72  225.993 12562.45  322.299 12641.67  316.973  444.465   5.7101  445.878   5.5979 -1.412262 7.996384 
1 1 1    6   14    9 o  289.832   3.2081  5342.88  117.937  5255.57  170.224  5423.48  163.553  287.545   4.6616  292.118   4.4088 -4.573547 6.416266 
1 1 1    6   14   10 o  248.043   3.0290  3914.15   95.265  3833.84  137.800  3987.67  131.846  245.596   4.4182  250.490   4.1448 -4.894226 6.058038 
1 1 1    6   14   11 o  201.791   2.9733  2581.43   75.847  2655.36  113.463  2521.71  101.981  204.388   4.3714  199.194   4.0315 5.194275 5.946605 
1 1 1    6   14   12 o  341.358   3.3843  7406.21  146.613  7491.77  211.684  7327.32  203.258  343.245   4.8563  339.471   4.7148 3.774139 6.768568 
1 1 1    6   14   13 o  278.892   3.8273  4980.60  117.697  5013.82  136.330  4883.39  233.223  280.866   3.8222  276.918   6.6320 3.948364 7.654570 
1 1 1    6   14   14 o  215.990   3.7896  2965.38   84.644  2963.18   95.213  2973.65  184.844  215.930   3.4722  216.049   6.7371 -0.1184387 7.579257 
1 1 1    6   14   15 o   80.750   10.781  450.859  104.599  330.513  161.134  538.504  137.510   69.926   18.030   91.573   11.825 -21.64691 21.56134 
1 1 1    6   14   16 o  366.387   5.3278  8557.75  247.527  8748.36  361.562  8389.61  339.584  370.183   7.6911  362.592   7.3748 7.591003 10.65556 
1 1 1    6   14   17 o  225.810   5.3344  3252.58  152.253  3298.23  227.271  3215.40  205.072  227.187   7.8774  224.434   7.1952 2.752716 10.66882 
1 1 1    6   14   18 o   85.071   12.028  489.014  126.299  438.880  190.045  528.671  169.024   79.999   18.991   90.143   14.765 -10.14461 24.05522 
1 1 1    6   14   19 o  586.021   7.3427 22095.05  546.127 22296.47  787.355 21908.29  758.153  588.479   10.536  583.563   10.230 4.915405 14.68539 
1 1 1    6   14   20 o   66.111   13.452  278.342  121.650  424.800  189.905  176.417  158.423   78.342   19.230   53.879   18.816 24.46263 26.90435 
1 1 1    6   14   21 o  158.897   6.9666  1646.24  138.794  1470.69  205.982  1792.23  187.839  150.819   10.755  166.974   8.8585 -16.15518 13.93320 
1 1 1    6   14   22 o  290.172   5.4306  5408.80  199.851  5364.71  289.517  5448.94  276.216  288.952   7.8899  291.392   7.4644 -2.439972 10.86128 
1 1 1    6   14   23 o  114.794   8.9095  845.454  128.014  1016.99  202.981  732.166  164.955  124.109   12.879  105.478   12.315 18.63083 17.81890 
1 1 1    6   14   24 o   26.962   13.135 -239.3864  145.018   0.0000   0.0000 -239.3864  145.018  ?   ?    26.962   13.135      ?      ? 
1 1 1    6   16    0 f  409.418   3.8177 10651.36  198.293 10846.54  288.028 10475.51  273.401  412.969   5.4921  405.867   5.3044 7.102386 7.635455 
1 1 1    6   16    1 o  274.835   3.2790  4806.46  114.330  4629.64  163.177  4976.96  160.239  269.856   4.7616  279.813   4.5094 -9.957428 6.557996 
1 1 1    6   16    2 o  467.925   4.1487 13908.05  246.329 13394.80  340.173 14473.88  357.171  458.867   5.8376  476.983   5.8965 -18.11615 8.297394 
1 1 1    6   16    3 o  283.989   3.2466  5130.33  116.965  5045.13  168.493  5209.57  162.496  281.703   4.7099  286.275   4.4697 -4.571747 6.493210 
1 1 1    6   16    4 o  302.854   3.3330  5820.71  127.912  5987.36  188.170  5677.54  174.403  306.867   4.8286  298.841   4.5955 8.026001 6.665912 
1 1 1    6   16    5 o  282.505   3.2965  5076.38  118.017  5039.88  172.262  5108.66  162.010  281.535   4.8181  283.475   4.5004 -1.939667 6.593029 
1 1 1    6   16    6 o   63.489   7.3186  263.410   56.182  253.379   88.645  270.144   72.632   61.908   11.704   65.069   8.7898 -3.160503 14.63718 
1 1 1    6   16    7 o  195.654   3.2550  2443.00   80.576  2274.05  116.211  2599.43  111.821  189.101   4.8392  202.207   4.3546 -13.10609 6.510049 
1 1 1    6   16    8 f  302.369   3.3121  5811.69  126.948  5852.84  185.517  5775.45  174.090  303.362   4.8155  301.376   4.5487 1.986176 6.624187 
1 1 1    6   16    9 o  170.594   3.4277  1862.17   73.804  1705.88  107.369  2002.17  101.618  163.748   5.1633  177.440   4.5096 -13.69218 6.855359 
1 1 1    6   16   10 o  109.916   4.2283  772.251   58.580  742.680   87.428  796.341   78.913  107.978   6.3759  111.854   5.5555 -3.875763 8.456663 
1 1 1    6   16   11 o  227.650   3.1346  3295.09   90.526  3319.07  131.281  3273.35  124.995  228.432   4.5255  226.869   4.3385 1.562729 6.269210 
1 1 1    6   16   12 o  146.140   3.4006  1350.34   62.885  1464.21   93.899  1257.72   84.681  151.687   4.8745  140.592   4.7429 11.09416 6.801197 
1 1 1    6   16   13 o  336.226   5.0233  7196.62  214.487  7196.62  214.487   0.0000   0.0000  336.226   5.0233  ?   ?       ?      ? 
1 1 1    6   16   14 o   58.693   9.7145  292.392   61.727  333.484   67.281   73.893  155.146   72.257   7.3322   45.130   17.992 27.12701 19.42907 
1 1 1    6   16   15 o   36.787   17.040 -443.3799   78.066 -504.2076   85.722 -147.7613  188.977  ?   ?    36.787   17.040      ?      ? 
1 1 1    6   16   16 o   27.427   9.7476 -604.0599  148.441 -802.6644  243.765 -487.0074  187.140   27.989   14.147   26.865   13.413 1.123182 19.49526 
1 1 1    6   16   17 o  296.422   5.4804  5628.90  205.085  5599.44  306.676  5652.74  275.838  295.582   8.1700  297.261   7.3070 -1.678925 10.96089 
1 1 1    6   16   18 o  141.083   7.7641  1282.43  138.442  1343.37  207.941  1233.92  185.541  143.984   11.372  138.182   10.573 5.801712 15.52817 
1 1 1    6   16   19 o  139.793   7.9784  1272.00  140.514  1258.39  211.729  1282.71  187.842  138.908   12.003  140.677   10.515 -1.768036 15.95676 
1 1 1    6   16   20 o   96.683   11.309  620.136  132.596  849.306  203.993  452.473  174.484  113.092   14.204   80.274   17.601 32.81847 22.61736 
1 1 1    6   18    0 o  363.357   3.6735  8387.24  169.178  8641.31  248.507  8167.78  230.964  368.457   5.3110  358.257   5.0766 10.19995 7.346991 
1 1 1    6   18    1 o  475.772   4.2695 14419.66  257.937 14318.54  366.344 14519.08  363.233  474.105   6.0847  477.438   5.9909 -3.332092 8.538956 
1 1 1    6   18    2 o  136.963   4.3427  1175.30   74.902  1372.43  114.995  1030.03   98.714  146.771   6.1697  127.155   6.1132 19.61600 8.685362 
1 1 1    6   18    3 o  215.385   3.4052  2955.33   93.027  2819.23  132.537  3087.49  130.604  210.478   4.9585  220.293   4.6685 -9.814331 6.810444 
1 1 1    6   18    4 o   35.567   9.6485   52.669   62.824   9.6580   95.841   85.074   83.189   32.472   13.664   38.662   13.626 -6.189709 19.29706 
1 1 1    6   18    5 o  365.053   3.6580  8481.39  169.490  8552.52  244.131  8415.22  235.492  366.517   5.2451  363.589   5.1002 2.927460 7.315932 
1 1 1    6   18    6 o  162.392   3.8273  1679.54   78.424  1678.34  117.727  1680.50  105.152  162.312   5.7114  162.471   5.0964 -0.1589050 7.654656 
1 1 1    6   18    7 o  307.823   3.5030  6024.02  136.570  6139.74  201.430  5925.57  185.795  310.530   5.1079  305.116   4.7950 5.414459 7.005923 
1 1 1    6   18    8 o  202.853   3.5685  2605.94   91.512  2763.79  137.475  2480.35  122.629  208.322   5.1965  197.384   4.8922 10.93797 7.137051 
1 1 1    6   18    9 o  145.863   4.3038  1342.37   79.255  1493.85  120.283  1226.15  105.361  153.048   6.1887  138.678   5.9826 14.37032 8.607672 
1 1 1    6   18   10 o  382.038   8.2401  9343.18  399.778   0.0000   0.0000  9343.18  399.778  ?   ?   382.038   8.2401      ?      ? 
1 1 1    6   18   11 o  222.601   3.7224  3144.95  104.932  3321.67  155.639  2997.68  142.079  228.295   5.3684  216.907   5.1580 11.38866 7.444774 
1 1 1    6   18   12 f  158.111   3.8239  1559.82   75.455  1772.96  120.928  1423.94   96.557  166.732   5.7113  149.490   5.0862 17.24161 7.647735 
1 1 1    6   18   13 o  434.927   4.0773 12065.42  225.033 12167.39  325.138 11971.65  311.773  436.654   5.8634  433.199   5.6673 3.455383 8.154620 
1 1 1    6   18   14 o  172.531   5.2386  1896.28   98.955  1885.96  113.918  1928.01  199.738  171.963   5.2165  173.098   9.0863 -1.134918 10.47729 
1 1 1    6   18   15 o   69.281   10.305  304.398   67.533  295.885   73.483  350.670  171.318   67.805   8.5338   70.757   18.761 -2.952209 20.61047 
1 1 1    6   18   16 o  192.729   4.9645  2549.89   90.347  2642.75   99.963  2135.67  211.124  203.685   3.8646  181.773   9.1460 21.91199 9.928966 
1 1 1    6   18   17 o  155.125   9.2933  1561.83  183.075   0.0000   0.0000  1561.83  183.075  ?   ?   155.125   9.2933      ?      ? 
1 1 1    6   20    0 o  241.538   3.8156  3730.26  116.510  3580.46  171.054  3859.92  159.133  236.949   5.6846  246.128   5.0912 -9.178452 7.631191 
1 1 1    6   20    1 o  114.593   5.9554  841.968   86.642  832.807  123.560  850.831  121.527  113.965   8.5374  115.222   8.3054 -1.256775 11.91082 
1 1 1    6   20    2 o  203.847   4.1244  2656.16  106.325  2585.62  156.492  2716.63  144.907  201.281   6.1223  206.414   5.5280 -5.133408 8.248724 
1 1 1    6   20    3 o  279.817   3.7485  4996.20  133.054  4828.86  190.482  5155.65  185.933  275.206   5.4503  284.428   5.1476 -9.222412 7.496914 
1 1 1    6   20    4 o  385.611   3.9313  9466.49  192.330  8942.02  266.142 10039.79  278.253  374.440   5.5970  396.782   5.5222 -22.34219 7.862606 
1 1 1    6   20    5 o  256.759   3.7322  4212.21  121.394  4032.56  175.495  4377.03  168.097  251.454   5.4958  262.063   5.0510 -10.60933 7.464300 
1 1 1    6   20    6 o   43.768   10.887  105.539   74.339  151.292  118.422   75.784   95.500   48.890   16.287   38.646   14.451 10.24431 21.77338 
1 1 1    6   20    7 o  352.725   3.7733  7894.09  168.318  8383.05  252.258  7501.71  225.978  362.473   5.4801  342.976   5.1883 19.49719 7.546544 
1 1 1    6   20    8 o  222.591   3.9102  3166.17  110.085  3122.85  162.568  3202.85  149.606  221.127   5.7892  224.055   5.2579 -2.928055 7.820491 
1 1 1    6   20    9 o  125.681   5.0642  1006.67   80.563  1088.94  120.007  939.188  108.697  130.312   7.2518  121.050   7.0709 9.262146 10.12846 
1 1 1    6   20   10 o  202.992   3.7021  2626.42   95.264  2706.34  139.716  2556.98  130.231  205.849   5.3447  200.135   5.1241 5.713882 7.404143 
1 1 1    6   20   11 o   88.675   6.2426  516.158   68.938  457.942  104.544  560.950   91.701   84.000   9.8003   93.350   7.7353 -9.350174 12.48525 
1 1 1    6   20   12 o  185.400   3.7353  2189.30   87.569  2293.59  131.155  2105.41  117.629  189.322   5.4551  181.477   5.1041 7.845520 7.470613 
1 1 1    6   20   13 o  181.283   4.9611  2102.16  114.213   0.0000   0.0000  2102.16  114.213  ?   ?   181.283   4.9611      ?      ? 
1 1 1    6   20   14 o   47.500   14.870  155.280   99.690  155.280   99.690   0.0000   0.0000   47.500   14.870  ?   ?       ?      ? 
1 1 1    6   22    0 o  137.742   5.6204  1234.33   95.605  1188.28  152.616  1264.08  122.654  135.316   8.8813  140.168   6.8905 -4.852554 11.24082 
1 1 1    6   22    1 o   73.929   9.8962  365.637   87.773  432.364  142.171  324.539  111.576   79.072   14.699   68.786   13.254 10.28606 19.79231 
1 1 1    6   22    2 o  278.711   3.8499  4962.94  134.897  5056.62  206.714  4893.46  178.030  280.838   5.7961  276.583   5.0686 4.254791 7.699716 
1 1 1    6   22    3 o  106.661   6.7264  776.031   85.374  627.268  139.696  864.714  107.860   97.554   11.276  115.769   7.3365 -18.21542 13.45281 
1 1 1    6   22    4 o  172.211   4.6404  1911.13  100.193  1890.96  153.986  1925.93  131.943  171.234   7.0813  173.188   5.9992 -1.953430 9.280893 
1 1 1    6   22    5 o   77.880   8.3821  391.512   81.581  471.821  130.303  339.737  104.624   84.162   12.192   71.599   11.507 12.56228 16.76412 
1 1 1    6   22    6 o   39.411   10.988   39.811   82.552  151.657  135.611 -26.0369  104.053   48.539   17.366   30.283   13.467 18.25635 21.97588 
1 1 1    6   22    7 o  104.893   10.865  729.959  144.724  729.959  144.724   0.0000   0.0000  104.893   10.865  ?   ?       ?      ? 
1 1 1    6   22    8 f   28.460   9.7831 -251.2074  102.300 -95.1644  170.424 -339.1053  127.908   35.184   16.257   21.737   10.888 13.44687 19.56627 
1 1 1    6   22    9 o  208.313   5.8479  2837.83  154.177  2853.04  227.755  2824.96  209.470  208.580   8.5984  208.046   7.9284 0.5337067 11.69581 
1 1 1    6   22   10 o   24.080   8.5712 -476.1339  119.260 -523.8079  170.037 -429.9744  167.314   23.405   11.829   24.756   12.407 -1.350920 17.14238 
1 1 1    6   22   11 o   91.467   13.653  584.711  158.589  584.711  158.589   0.0000   0.0000   91.467   13.653  ?   ?       ?      ? 
1 1 1    6   24    0 o   34.202   10.561 -54.9435   85.848  126.321  150.594 -142.2081  104.489   44.779   17.766   23.625   11.424 21.15433 21.12234 
1 1 1    6   24    1 o   36.167   10.989   35.100   88.919   8.3934  149.206   49.810  110.731   36.670   16.226   35.663   14.824 1.007076 21.97778 
1 1 1    6   24    2 o  226.873   4.2601  3352.22  121.097  3343.45  186.833  3358.56  159.022  226.152   6.5054  227.594   5.5020 -1.442154 8.520131 
1 1 1    6   24    3 o   45.905   12.066  150.881   93.069  144.759  146.835  154.993  120.327   45.849   17.732   45.960   16.367 -0.1102982 24.13115 
1 1 1    6   24    4 o   41.348   12.708   50.463  123.825  107.527  187.267   6.1311  165.058   44.975   19.023   37.720   16.855 7.255779 25.41547 
1 1 1    6   24    5 o  197.137   6.3713  2622.89  157.808  2613.72  240.572  2629.82  209.076  195.958   9.6672  198.317   8.3017 -2.358200 12.74261 
1 1 1    6   24    6 f  111.166   9.4787  910.764  127.292  841.657  208.085  952.089  160.913  105.295   15.562  117.038   10.826 -11.74303 18.95732 
1 1 1    7    1    1 o  255.272   2.5960  4137.79   84.152  4179.26  119.625  4097.17  118.403  256.538   3.6719  254.006   3.6706 2.531723 5.191959 
1 1 1    7    1    2 o  772.956   7.6421 36743.80  678.768 35194.84  796.268 40861.38  1298.25  744.274   8.4246  801.638   12.753 -57.36401 15.28418 
1 1 1    7    1    3 o  460.507   3.9109 13463.68  228.652 13245.56  318.827 13694.66  328.097  456.669   5.4976  464.345   5.5640 -7.675629 7.821867 
1 1 1    7    1    4 f  456.479   3.8869 13234.44  225.317 13170.48  317.438 13299.38  319.868  455.368   5.4893  457.590   5.5045 -2.222534 7.773803 
1 1 1    7    1    5 o  694.973   5.6003 30666.32  493.987 31353.14  713.177 30032.92  684.887  702.443   7.9948  687.504   7.8445 14.93903 11.20060 
1 1 1    7    1    6 o  528.467   4.4011 17722.92  295.146 17273.86  408.045 18215.65  427.428  521.456   6.1619  535.477   6.2856 -14.02130 8.802103 
1 1 1    7    1    7 o  282.112   2.7974  5045.02  100.118  4838.16  137.897  5275.62  145.594  276.008   3.9342  288.215   3.9778 -12.20731 5.594747 
1 1 1    7    1    8 o  612.223   5.0062 23811.32  389.175 24061.27  555.587 23570.54  545.310  615.375   7.1094  609.070   7.0501 6.304199 10.01242 
1 1 1    7    1    9 o  771.471   6.1732 37822.46  604.745 37521.74  848.820 38132.46  861.804  768.360   8.6991  774.583   8.7612 -6.222534 12.34635 
1 1 1    7    1   10 o  785.365   6.2792 39199.76  626.257 39310.19  888.035 39090.49  883.306  786.465   8.8915  784.266   8.8689 2.198975 12.55850 
1 1 1    7    1   11 o  551.352   4.5785 19292.84  320.361 19797.63  463.428 18830.84  443.355  558.250   6.5370  544.454   6.4123 13.79639 9.156925 
1 1 1    7    1   12 o  244.026   2.6753  3775.97   82.837  3922.38  120.214  3643.60  114.306  248.523   3.8090  239.529   3.7578 8.994064 5.350666 
1 1 1    7    1   13 o  524.503   5.4023 17487.24  339.175 17452.65  587.414 17504.54  415.423  524.061   8.8264  524.946   6.2316 -0.8845215 10.80455 
1 1 1    7    1   14 o  677.239   5.5002 29120.12  472.822 28553.94  656.622 29729.84  681.409  670.409   7.7125  684.068   7.8439 -13.65857 11.00045 
1 1 1    7    1   15 o  1084.57   10.500 74254.42  1348.15 73245.51  1628.51 76451.73  2403.30  1073.34   11.948  1095.81   17.270 -22.46960 21.00004 
1 1 1    7    1   16 o  1126.29   8.8584 80659.65  1266.96 81133.66  1803.00 80197.29  1780.71  1129.56   12.569  1123.03   12.486 6.526123 17.71686 
1 1 1    7    1   17 o  611.284   5.0633 23606.15  391.523 22324.90  526.171 25195.60  586.051  592.810   6.9893  629.757   7.3280 -36.94647 10.12669 
1 1 1    7    1   18 o  338.064   3.3187  7258.24  142.472  7311.96  202.527  7205.60  200.460  339.302   4.7002  336.826   4.6865 2.476532 6.637401 
1 1 1    7    1   19 o  576.838   4.8167 21143.81  352.812 21334.61  503.210 20959.34  494.798  579.395   6.8391  574.280   6.7846 5.114380 9.633492 
1 1 1    7    1   20 f  435.702   4.7674 12046.24  248.275 11994.11  303.262 12152.18  432.347  434.392   5.4974  437.013   7.7904 -2.621033 9.534794 
1 1 1    7    1   21 o  395.942   4.5687  9824.22  212.190 10362.58  386.907  9592.64  253.755  403.442   7.5518  388.442   5.1441 14.99954 9.137347 
1 1 1    7    1   22 o  337.978   3.3990  7261.55  145.870  7300.95  208.217  7223.57  204.419  338.875   4.8384  337.081   4.7754 1.794952 6.798091 
1 1 1    7    1   23 o  208.642   3.1338  2767.26   83.030  2741.16  116.681  2794.04  118.176  207.645   4.4249  209.638   4.4390 -1.992691 6.267685 
1 1 1    7    1   24 o  186.721   4.6984  2217.41  111.409   0.0000   0.0000  2217.41  111.409  ?   ?   186.721   4.6984      ?      ? 
1 1 1    7    1   25 o  179.338   3.3990  2045.24   77.389  1984.51  108.049  2109.22  110.895  176.605   4.8177  182.071   4.7961 -5.466232 6.798047 
1 1 1    7    1   26 o  173.034   3.7543  1906.05   82.472  1876.75  114.908  1937.18  118.439  171.667   5.2709  174.401   5.3477 -2.734467 7.508666 
1 1 1    7    1   27 o  347.962   5.5664  7717.01  245.972   0.0000   0.0000  7717.01  245.972  ?   ?   347.962   5.5664      ?      ? 
1 1 1    7    1   28 o  109.974   5.5566  774.775   77.525  730.886  109.090  819.556  110.192  106.804   8.0430  113.144   7.6691 -6.339493 11.11327 
1 1 1    7    1   29 o  158.150   4.2662  1598.93   85.594  1582.51  123.510  1614.09  118.728  157.344   6.1812  158.956   5.8816 -1.612198 8.532379 
1 1 1    7    1   30 o  255.967   3.5807  4184.26  116.347  4020.79  163.330  4352.67  165.778  250.874   5.1266  261.061   5.0004 -10.18706 7.161462 
1 1 1    7    1   31 o  144.155   6.3471  1265.43  102.909  1550.88  207.399  1172.20  118.529  153.486   10.640  134.825   6.9227 18.66078 12.69426 
1 1 1    7    1   32 o  273.166   5.4790  4554.74  156.556  5433.25  348.950  4333.35  175.176  286.719   9.5836  259.613   5.3134 27.10611 10.95798 
1 1 1    7    1   33 o   66.586   12.583  303.895   93.195  441.747  204.137  267.599  104.748   72.707   20.959   60.466   13.928 12.24061 25.16510 
1 1 1    7    1   34 o   45.705   13.579  118.709  125.691  178.788  222.945   90.715  152.182   49.957   20.922   41.453   17.317 8.503628 27.15860 
1 1 1    7    3    0 o  850.600   8.3297 45551.36  836.406 44802.38  1007.16 47215.89  1501.43  839.641   9.4455  861.558   13.723 -21.91693 16.65933 
1 1 1    7    3    2 o  831.362   6.6145 43917.14  698.236 43487.27  977.435 44365.09  997.788  827.213   9.3045  835.512   9.4039 -8.299316 13.22902 
1 1 1    7    3    3 o  676.134   5.4658 29043.02  469.270 28798.21  658.200 29296.12  669.233  673.238   7.6986  679.030   7.7609 -5.791565 10.93159 
1 1 1    7    3    4 o  797.456   6.3657 40370.73  644.087 41507.19  934.968 39344.29  888.557  808.115   9.1106  786.797   8.8929 21.31842 12.73133 
1 1 1    7    3    6 o  780.877   8.8414 38695.31  875.001 40374.97  1287.76 37254.72  1192.59  796.547   12.730  765.208   12.273 31.33954 17.68279 
1 1 1    7    3    7 o  177.405   2.3302  1998.58   52.495  2008.81   74.672  1988.58   73.813  177.854   3.3061  176.956   3.2847 0.8978424 4.660386 
1 1 1    7    3    8 o  655.885   5.3391 27327.47  444.623 27679.02  636.362 26992.16  621.485  660.003   7.5924  651.767   7.5086 8.235474 10.67822 
1 1 1    7    3    9 o  320.302   3.0389  6510.34  123.547  6681.71  178.210  6351.76  171.430  324.356   4.3265  316.247   4.2686 8.108856 6.077753 
1 1 1    7    3   10 o  161.727   2.3699  1657.26   48.592  1799.49   70.430  1528.06   67.128  168.335   3.2946  155.120   3.4077 13.21492 4.739895 
1 1 1    7    3   11 o  271.749   2.7802  4688.58   95.931  4769.19  137.045  4611.13  134.331  274.038   3.9380  269.459   3.9256 4.579224 5.560385 
1 1 1    7    3   12 o  420.210   3.6978 11207.78  197.236 11445.57  284.322 10987.20  273.841  424.503   5.2741  415.918   5.1846 8.584991 7.395700 
1 1 1    7    3   13 o  1284.44   12.341 104705.00  1888.71 106103.60  3312.35 104031.20  2299.09  1290.13   20.217  1278.75   14.158 11.37537 24.68166 
1 1 1    7    3   14 o  426.735   3.7855 11565.67  205.145 11567.83  290.183 11563.52  290.056  426.775   5.3542  426.695   5.3529 0.7943726E-01 7.571043 
1 1 1    7    3   15 o   32.514   7.3682   33.319   41.938 -39.3622   55.474  130.264   64.068   20.606   9.4309   44.421   11.323 -23.81549 14.73635 
1 1 1    7    3   16 o  380.629   3.5794  9199.77  173.001  9071.06  242.628  9332.89  246.746  377.922   5.0555  383.337   5.0686 -5.415253 7.158833 
1 1 1    7    3   17 o  680.660   6.8322 29040.56  547.432 28389.50  656.706 30523.36  991.066  668.449   7.7362  692.871   11.263 -24.42194 13.66434 
1 1 1    7    3   18 o  610.289   5.0491 23655.88  391.203 23266.03  545.262 24069.43  561.589  605.112   7.0956  615.465   7.1852 -10.35352 10.09826 
1 1 1    7    3   19 o  323.657   3.2683  6649.78  134.279  6430.55  186.955  6883.38  192.986  318.151   4.6273  329.163   4.6168 -11.01175 6.536529 
1 1 1    7    3   20 o  335.989   3.3268  7169.01  141.894  6943.57  197.567  7409.19  203.921  330.537   4.7067  341.440   4.7029 -10.90308 6.653616 
1 1 1    7    3   21 o  155.525   3.2393  1536.59   63.959  1575.93   91.771  1499.44   89.188  157.460   4.5894  153.591   4.5726 3.868347 6.478542 
1 1 1    7    3   22 o  178.317   3.1861  2023.82   72.055  1920.77  102.506  2124.47  101.306  173.818   4.6438  182.816   4.3636 -8.998047 6.372283 
1 1 1    7    3   23 o  196.345   3.1015  2450.94   77.309  2454.32  110.812  2447.73  107.907  196.474   4.4413  196.216   4.3305 0.2577209 6.203051 
1 1 1    7    3   24 o  157.737   3.4703  1582.80   69.514  1572.45   98.016  1593.28   98.603  157.218   4.9093  158.256   4.9063 -1.038269 6.940623 
1 1 1    7    3   25 o  234.404   4.4598  3627.76  114.830  3249.00  223.300  3763.93  133.889  225.554   7.7958  243.254   4.3342 -17.69946 8.919611 
1 1 1    7    3   26 o   69.829   10.952  375.808   80.213  219.203  179.869  414.684   89.618   59.186   20.072   80.471   8.7696 -21.28472 21.90434 
1 1 1    7    3   27 o  191.478   11.048  2364.57  268.637  2364.57  268.637   0.0000   0.0000  191.478   11.048  ?   ?       ?      ? 
1 1 1    7    3   28 o  229.205   4.8808  3481.79  120.037  3127.97  241.615  3597.73  138.314  220.743   8.6190  237.667   4.5827 -16.92348 9.761594 
1 1 1    7    3   29 o  131.700   7.0238  1106.51   97.339  1149.65  208.647  1094.51  110.049  132.650   12.386  130.750   6.6277 1.899902 14.04762 
1 1 1    7    3   30 o  131.790   6.9588  1121.48   98.395  1145.73  204.156  1114.14  112.298  131.867   12.191  131.713   6.7137 0.1536102 13.91763 
1 1 1    7    3   31 o   42.657   12.882   35.257  123.295   24.363  181.992   44.499  167.624   42.737   18.430   42.578   18.002 0.1596413 25.76327 
1 1 1    7    3   32 o   34.108   16.632 -672.4642  104.189 -330.5616  234.119 -756.8996  116.345   34.108   16.632  ?   ?       ?      ? 
1 1 1    7    3   33 o  165.870   6.5860  1781.51  133.198  2076.24  228.403  1629.62  163.966  174.941   10.281  156.798   8.2345 18.14325 13.17208 
1 1 1    7    5    0 o  890.897   8.6290 50736.81  926.692 51279.52  1146.28 49712.93  1574.45  898.082   10.051  883.713   14.029 14.36896 17.25808 
1 1 1    7    5    1 o  473.391   4.6796 14184.16  243.241 14131.63  280.396 14343.90  488.972  471.694   4.6810  475.088   8.1046 -3.394012 9.359276 
1 1 1    7    5    2 o  1037.71   10.074 67698.57  1230.67 66311.03  1477.16 70847.15  2225.16  1021.05   11.392  1054.38   16.618 -33.32660 20.14816 
1 1 1    7    5    3 o  367.897   3.8971  8411.11  154.248  8252.54  175.488  8949.81  323.448  360.477   3.8335  375.318   6.7862 -14.84103 7.794127 
1 1 1    7    5    4 o  462.681   4.6050 13456.74  230.959 13326.96  264.230 13876.96  475.447  458.070   4.5423  467.291   8.0119 -9.221252 9.209944 
1 1 1    7    5    5 o  441.090   4.4255 12309.32  213.229 12260.85  245.164 12459.87  432.067  439.371   4.3939  442.808   7.6835 -3.437073 8.851095 
1 1 1    7    5    6 o  558.582   5.4033 19380.12  323.228 19010.34  366.990 20659.16  682.531  547.074   5.2824  570.091   9.4276 -23.01642 10.80663 
1 1 1    7    5    7 o  1302.01   14.418 108115.60  2382.92 106299.10  3312.83 110062.90  3430.13  1290.74   20.211  1313.28   20.567 -22.53906 28.83554 
1 1 1    7    5    8 o  740.142   8.4276 34839.80  792.122 34937.01  1123.68 34743.77  1116.81  741.167   11.939  739.118   11.898 2.048462 16.85523 
1 1 1    7    5    9 o  796.575   9.0202 40256.24  910.635 41983.41  1340.28 38775.26  1241.09  812.377   12.992  780.774   12.517 31.60309 18.04042 
1 1 1    7    5   10 o  560.805   6.6317 19976.38  472.095 19582.67  656.029 20399.27  679.897  555.081   9.3066  566.528   9.4503 -11.44684 13.26346 
1 1 1    7    5   11 o  264.942   4.2641  4437.62  142.959  4701.21  213.323  4222.73  192.611  272.047   6.1747  257.837   5.8824 14.21075 8.528174 
1 1 1    7    5   12 o  725.080   8.3005 33426.18  764.303 33443.79  1081.61 33408.63  1080.17  725.271   11.743  724.890   11.734 0.3806763 16.60092 
1 1 1    7    5   13 o  633.887   6.0913 25499.95  428.501 25592.20  846.038 25468.11  496.955  634.558   10.499  633.217   6.1800 1.341614 12.18267 
1 1 1    7    5   14 o  655.629   6.2935 27032.45  449.376 27859.38  918.578 26772.28  515.241  662.036   10.926  649.222   6.2494 12.81342 12.58691 
1 1 1    7    5   15 o  1427.64   13.719 129800.20  2349.71 130128.60  4054.53 129634.20  2883.24  1428.16   22.356  1427.12   15.909 1.040527 27.43838 
1 1 1    7    5   16 o  453.569   4.7446 13229.88  235.941 12749.65  469.596 13392.05  272.886  447.940   8.2552  459.198   4.6795 -11.25748 9.489253 
1 1 1    7    5   17 o   74.463   8.0423  408.413   48.446  296.312  126.919  427.533   52.415   66.884   15.278   82.042   5.0308 -15.15856 16.08455 
1 1 1    7    5   18 o   89.146   6.5349  544.234   52.709  451.669  129.869  562.490   57.673   84.197   12.146   94.095   4.8265 -9.897705 13.06972 
1 1 1    7    5   19 o   52.002   9.6556  162.774   51.811  197.606  128.574  156.022   56.610   55.349   16.811   48.655   9.5028 6.693954 19.31120 
1 1 1    7    5   20 o  292.853   3.9661  5337.08  120.078  5656.09  265.925  5255.38  134.579  298.107   7.0244  287.599   3.6848 10.50812 7.932217 
1 1 1    7    5   21 o  158.039   4.8515  1602.51   70.191  1571.96  178.169  1608.12   76.367  156.998   8.9364  159.080   3.7802 -2.081802 9.703007 
1 1 1    7    5   22 o  210.714   4.3270  2849.50   90.636  2788.32  207.295  2863.96  100.780  209.146   7.8048  212.283   3.7384 -3.136963 8.653919 
1 1 1    7    5   23 o  128.701   5.7093  987.207   68.480  1162.43  177.583  956.598   74.220  134.764   10.377  122.638   4.7657 12.12640 11.41854 
1 1 1    7    5   24 o  199.923   4.3081  2586.51   86.992  2479.81  193.786  2613.44   97.353  197.098   7.7421  202.748   3.7811 -5.649918 8.616105 
1 1 1    7    5   25 o  125.735   6.4147  1032.17   75.759  983.229  184.592  1042.08   83.078  123.539   11.766  127.932   5.1137 -4.392998 12.82931 
1 1 1    7    5   26 o  128.878   7.8029  1082.69  105.588  1046.85  223.093  1093.03  119.863  126.958   13.837  130.797   7.2162 -3.838348 15.60580 
1 1 1    7    5   27 o  166.924   5.6437  1809.62   90.889  1746.10  214.871  1823.46  100.304  164.639   10.277  169.210   4.6678 -4.571289 11.28746 
1 1 1    7    5   28 o  117.002   7.5677  848.294   83.439  943.852  209.886  830.357   90.934  120.026   13.770  113.979   6.2824 6.046753 15.13536 
1 1 1    7    5   29 o  201.931   4.9030  2540.68   99.417  2742.26  229.456  2494.10  110.309  206.089   8.7673  197.773   4.3920 8.315567 9.805918 
1 1 1    7    5   30 o  155.888   5.9045  1499.29   92.121  1703.46  215.651  1453.71  101.885  161.111   10.540  150.665   5.3250 10.44559 11.80897 
1 1 1    7    5   31 o   25.436   9.0782 -525.1374  131.391 -687.8080  224.441 -440.3217  162.064   26.802   13.551   24.071   12.084 2.731277 18.15642 
1 1 1    7    5   32 o  120.567   8.6468  969.044  128.663  1134.81  213.950  875.131  161.037  127.623   13.201  113.511   11.171 14.11205 17.29352 
1 1 1    7    5   33 o   65.220   13.984  345.809  117.771  414.402  220.417  318.403  139.326   67.277   22.211   63.163   16.996 4.114845 27.96752 
1 1 1    7    7    0 f  630.679   5.1467 25231.29  411.730 24468.61  565.945 26088.81  600.102  620.576   7.1813  640.781   7.3746 -20.20575 10.29346 
1 1 1    7    7    1 o  428.879   3.7391 11679.89  203.608 11847.38  291.474 11520.27  284.541  431.880   5.3145  425.877   5.2612 6.002472 7.478197 
1 1 1    7    7    2 o  369.178   3.3567  8636.20  157.166  8263.46  215.652  9058.46  229.529  360.703   4.7079  377.653   4.7859 -16.95084 6.713374 
1 1 1    7    7    3 o  443.976   3.8385 12519.72  216.416 12594.00  307.659 12446.97  304.482  445.279   5.4408  442.673   5.4163 2.606110 7.677099 
1 1 1    7    7    4 o  918.349   7.2735 53573.25  847.753 52459.52  1174.62 54784.10  1224.76  908.406   10.182  928.292   10.389 -19.88580 14.54699 
1 1 1    7    7    5 o  206.195   3.0515  2483.26   67.530  2315.09   75.989  3114.97  147.277  190.935   3.1339  221.455   5.2369 -30.52025 6.102963 
1 1 1    7    7    6 f  313.697   3.7769  6262.33  141.383  6285.53  172.755  6215.29  246.033  314.595   4.3241  312.798   6.1937 1.797058 7.553844 
1 1 1    7    7    7 o  313.276   3.5802  6309.02  123.566  6387.45  143.266  6081.18  244.174  317.147   3.5572  309.406   6.2143 7.740845 7.160396 
1 1 1    7    7    8 o  362.594   3.9258  8282.61  154.816  8219.56  177.476  8483.31  316.643  359.762   3.8846  365.427   6.8233 -5.664795 7.851555 
1 1 1    7    7    9 o  624.384   7.2886 24780.33  577.915 24624.75  814.474 24938.09  820.146  622.410   10.304  626.357   10.311 -3.946899 14.57713 
1 1 1    7    7   10 o  1220.96   13.547 94940.27  2099.76 93447.73  2924.73 96527.81  3016.39  1211.09   19.017  1230.83   19.298 -19.73535 27.09323 
1 1 1    7    7   11 o  308.448   4.7382  6041.69  185.519  5797.88  260.150  6293.99  264.636  302.116   6.7807  314.780   6.6201 -12.66348 9.476439 
1 1 1    7    7   12 o  232.229   4.8265  3431.45  142.041  3321.01  205.634  3532.23  196.434  228.645   7.0820  235.812   6.5596 -7.166489 9.653090 
1 1 1    7    7   13 o  967.995   10.890 59628.54  1338.67 59910.25  1904.03 59353.18  1882.47  970.248   15.453  965.741   15.349 4.506592 21.78067 
1 1 1    7    7   14 o  444.889   5.7824 12566.21  326.456 12816.96  472.475 12337.14  451.591  449.129   8.2838  440.649   8.0700 8.479431 11.56489 
1 1 1    7    7   15 o  924.470   10.421 54375.27  1222.99 55254.90  1758.64 53551.49  1701.89  931.687   14.864  917.253   14.611 14.43488 20.84225 
1 1 1    7    7   16 o  547.645   6.6574 19061.13  462.754 19349.01  667.384 18794.55  642.209  551.617   9.5271  543.674   9.3016 7.942261 13.31489 
1 1 1    7    7   17 o  657.692   7.6991 27554.52  642.976 27644.77  916.703 27467.13  902.084  658.738   10.958  656.645   10.818 2.092224 15.39826 
1 1 1    7    7   18 o  797.930   9.1656 40705.52  928.620 41043.32  1326.68 40381.04  1300.25  801.141   13.040  794.718   12.884 6.423096 18.33113 
1 1 1    7    7   19 o  328.222   5.0147  6856.35  208.554  6872.36  305.467  6842.38  285.431  328.554   7.3212  327.890   6.8548 0.6642456 10.02935 
1 1 1    7    7   20 o  182.625   5.4218  2107.92  124.464  2238.42  192.409  2014.03  163.210  187.413   8.0844  177.837   7.2268 9.576065 10.84364 
1 1 1    7    7   21 o  371.273   5.3525  8792.07  252.161  8461.88  358.739  9114.53  354.517  364.344   7.7533  378.203   7.3813 -13.85867 10.70507 
1 1 1    7    7   22 o  189.548   5.2096  2271.09  124.506  2448.76  190.166  2137.79  164.718  195.951   7.6420  183.144   7.0822 12.80766 10.41914 
1 1 1    7    7   23 o  261.727   4.1544  4421.95  104.960  4271.99  248.427  4454.53  115.803  258.726   7.5610  264.727   3.4446 -6.000854 8.308702 
1 1 1    7    7   24 o  125.759   5.9261  1058.49   67.539  945.098  169.108  1080.01   73.670  121.235   10.984  130.283   4.4527 -9.047623 11.85214 
1 1 1    7    7   25 o  273.501   4.7042  4838.75  138.654  4652.17  282.562  4897.92  159.130  269.599   8.2531  277.403   4.5171 -7.803864 9.408422 
1 1 1    7    7   26 o  403.690   4.8799 10317.91  228.861 10654.33  422.132 10177.86  272.363  407.796   8.1513  399.584   5.3674 8.211548 9.759764 
1 1 1    7    7   27 o  244.637   4.6646  3794.29  103.192  3873.75  268.202  3780.48  111.799  245.527   8.6017  243.747   3.6118 1.779358 9.329212 
1 1 1    7    7   28 o  173.587   6.0465  1990.04   79.340  1882.41  248.206  2002.29   83.733  169.851   11.507  177.322   3.7184 -7.471527 12.09300 
1 1 1    7    7   29 o   95.167   10.859  651.080  118.868  521.884  195.644  726.681  149.659   85.213   18.601  105.122   11.211 -19.90884 21.71840 
1 1 1    7    7   30 o   95.585   11.775  660.273  136.518  582.678  207.056  719.945  181.575   88.511   18.990  102.658   13.928 -14.14718 23.54989 
1 1 1    7    7   31 o   79.470   13.243  495.358  131.857  423.269  197.173  553.678  177.347   72.635   20.488   86.306   16.785 -13.67065 26.48575 
1 1 1    7    7   32 o   63.673   13.360  362.563  129.911  147.923  227.988  465.763  158.087   49.650   20.994   77.696   16.530 -28.04677 26.72036 
1 1 1    7    9    0 o  222.995   3.7449  3157.95  106.052   0.0000   0.0000  3157.95  106.052  ?   ?   222.995   3.7449      ?      ? 
1 1 1    7    9    1 o  789.735   7.6946 40017.17  738.380 40952.98  924.904 38372.61  1226.10  802.739   9.0729  776.732   12.430 26.00629 15.38915 
1 1 1    7    9    2 o  293.572   2.9647  5450.99  110.269  5806.14  162.886  5150.53  149.819  302.362   4.2421  284.781   4.1426 17.58075 5.929304 
1 1 1    7    9    3 o  629.997   5.1599 25215.26  412.811 25121.15  582.090 25310.47  585.530  628.815   7.2894  631.179   7.3050 -2.364258 10.31976 
1 1 1    7    9    4 o  557.043   4.6461 19710.68  328.660 19568.30  462.965 19855.32  466.648  555.015   6.5685  559.071   6.5727 -4.055298 9.292238 
1 1 1    7    9    5 f  726.746   5.8647 33546.26  541.119 33018.81  754.667 34104.39  776.307  720.872   8.2437  732.620   8.3440 -11.74823 11.72949 
1 1 1    7    9    6 o  330.533   3.1883  6927.53  133.662  7145.54  195.007  6734.36  183.565  335.429   4.5780  325.637   4.4389 9.791840 6.376671 
1 1 1    7    9    7 o  632.638   6.3791 25448.32  483.433 25481.83  592.599 25381.66  835.875  633.338   7.3680  631.938   10.416 1.399780 12.75829 
1 1 1    7    9    8 o  162.182   3.8662  1599.74   66.561  1545.23   75.041  1800.85  144.136  155.990   3.7881  168.375   6.7409 -12.38574 7.732349 
1 1 1    7    9    9 o  454.043   4.7362 12956.38  232.624 12832.32  265.885 13361.28  480.335  449.506   4.6578  458.580   8.2481 -9.073669 9.472363 
1 1 1    7    9   10 o  949.064   9.3316 57508.21  1077.13 58074.16  1345.87 56499.84  1796.50  955.809   11.088  942.319   15.012 13.48981 18.66327 
1 1 1    7    9   11 f  218.252   5.2166  3025.51  144.390  3038.39  209.938  3013.95  198.904  218.690   7.5594  217.815   7.1908 0.8756714 10.43320 
1 1 1    7    9   12 o  647.193   7.6116 26626.90  625.579 26432.56  881.932 26823.69  887.498  644.816   10.770  649.570   10.759 -4.754089 15.22326 
1 1 1    7    9   13 o  434.291   5.6892 11900.03  312.208 12817.07  470.963 11181.08  417.003  449.103   8.2578  419.479   7.8280 29.62308 11.37844 
1 1 1    7    9   14 o  691.397   8.0416 30415.76  705.986 30563.89  1007.26 30272.71  989.800  693.042   11.445  689.752   11.300 3.290405 16.08321 
1 1 1    7    9   15 o  415.390   5.5280 10973.69  291.566 10711.34  410.685 11240.29  414.008  410.379   7.8804  420.401   7.7547 -10.02182 11.05604 
1 1 1    7    9   16 o  568.528   6.8769 20600.15  496.466 20659.93  707.134 20542.03  697.188  569.330   9.7805  567.727   9.6701 1.602722 13.75389 
1 1 1    7    9   17 o  176.533   5.2474  1981.94  116.430  1998.17  178.195  1969.85  153.799  177.131   7.9218  175.935   6.8837 1.195358 10.49478 
1 1 1    7    9   18 o  289.102   4.8923  5320.47  179.454  5325.16  259.342  5316.17  248.574  289.209   7.0613  288.996   6.7731 0.2133179 9.784499 
1 1 1    7    9   19 o  337.134   5.1169  7238.57  219.006  6989.95  307.404  7494.83  312.093  331.246   7.3077  343.022   7.1645 -11.77615 10.23387 
1 1 1    7    9   20 o  203.286   5.1187  2644.04  131.283  2530.65  194.702  2738.57  177.776  199.225   7.6957  207.347   6.7515 -8.121490 10.23746 
1 1 1    7    9   21 o  231.342   5.1059  3411.48  149.663  3428.87  219.435  3396.36  204.650  231.862   7.4524  230.823   6.9816 1.038742 10.21183 
1 1 1    7    9   22 o  391.924   5.5546  9782.15  275.558 10148.37  409.397  9478.81  372.594  398.541   8.0890  385.306   7.6147 13.23557 11.10923 
1 1 1    7    9   23 o  308.000   5.1892  6041.06  201.822  6223.31  303.838  5897.16  269.990  312.062   7.6669  303.938   6.9949 8.124237 10.37841 
1 1 1    7    9   24 o  503.956   6.4746 16296.28  414.216 16226.39  593.162 16362.81  578.685  502.825   9.2892  505.087   9.0219 -2.261505 12.94930 
1 1 1    7    9   25 o  104.928   9.0092  718.436  118.764  688.579  179.354  741.750  158.489  102.787   13.740  107.069   11.656 -4.282005 18.01847 
1 1 1    7    9   26 o  184.455   6.6390  2203.19  152.191  2139.71  239.380  2246.26  197.169  181.918   10.362  186.993   8.3030 -5.075195 13.27806 
1 1 1    7    9   27 o  197.589   6.6150  2525.91  163.370  2528.02  254.448  2524.42  213.094  197.330   10.154  197.848   8.4813 -0.5176086 13.22995 
1 1 1    7    9   28 o   41.174   12.712 -19.7676  123.276   66.371  198.544 -73.8085  157.261   47.196   19.753   35.152   16.008 12.04353 25.42483 
1 1 1    7    9   29 o   94.586   13.711  716.257  153.229  499.075  258.784  833.507  190.144   78.585   23.846  110.586   13.540 -32.00099 27.42189 
1 1 1    7    9   30 f   95.512   12.233  737.903  132.673  488.563  219.904  880.604  166.361   77.156   21.592  113.868   11.505 -36.71216 24.46587 
1 1 1    7    9   31 o   57.887   14.076  240.378  127.928  438.622  209.774  122.997  161.417   70.759   21.469   45.015   18.210 25.74365 28.15206 
1 1 1    7   11    0 o  760.794   7.5344 36740.34  684.083 36933.52  1193.94 36645.93  834.675  762.148   12.336  759.439   8.6546 2.709473 15.06890 
1 1 1    7   11    1 f  329.378   3.3307  6867.13  138.985  7211.48  205.336  6575.98  188.811  336.971   4.7984  321.784   4.6205 15.18735 6.661304 
1 1 1    7   11    2 o  661.596   5.4225 27808.00  455.582 27804.61  645.737 27811.37  642.854  661.555   7.6862  661.638   7.6509 -0.8215332E-01 10.84502 
1 1 1    7   11    3 o  500.910   6.0968 15937.31  387.830   0.0000   0.0000 15937.31  387.830  ?   ?   500.910   6.0968      ?      ? 
1 1 1    7   11    4 o  1174.92   9.2234 87775.73  1376.07 88475.40  1961.33 87097.45  1931.13  1179.52   13.094  1170.32   12.994 9.207642 18.44672 
1 1 1    7   11    6 o  408.401   3.7633 10554.96  194.685 11118.46  288.070 10081.20  264.136  418.396   5.4217  398.406   5.2207 19.99008 7.526603 
1 1 1    7   11    7 o  616.841   5.1141 24163.04  400.524 23746.71  559.355 24601.11  573.774  611.392   7.2043  622.291   7.2606 -10.89923 10.22826 
1 1 1    7   11    8 o  841.807   6.7409 45026.19  720.481 45573.49  1031.38 44504.57  1006.89  846.797   9.5909  836.817   9.4749 9.980286 13.48182 
1 1 1    7   11    9 o  315.734   4.1605  6405.80  157.023  6557.29  193.202  6111.02  269.510  321.318   4.7348  310.150   6.8427 11.16800 8.321054 
1 1 1    7   11   10 o  428.341   4.5742 11263.36  209.222 10947.93  236.776 12386.94  446.877  415.180   4.4908  441.502   7.9704 -26.32220 9.148431 
1 1 1    7   11   11 o  324.859   3.9776  6682.78  138.300  6664.14  157.595  6745.22  288.453  323.924   3.8311  325.794   6.9719 -1.869843 7.955198 
1 1 1    7   11   12 o  254.835   4.8322  4110.26  155.648  4307.53  233.736  3953.09  208.636  260.294   7.0710  249.376   6.5880 10.91780 9.664453 
1 1 1    7   11   13 o  426.972   5.6309 11595.17  305.107 11779.08  441.141 11426.51  422.439  430.202   8.0747  423.742   7.8503 6.460175 11.26178 
1 1 1    7   11   14 o  463.724   5.9526 13695.20  350.422 13793.30  503.027 13602.70  488.440  465.320   8.5126  462.128   8.3228 3.192902 11.90519 
1 1 1    7   11   15 o  404.206   5.4628 10403.90  280.240 10440.13  403.782 10370.23  389.254  404.865   7.8534  403.547   7.5956 1.317627 10.92562 
1 1 1    7   11   16 o  486.643   6.1599 15100.32  380.656 14851.84  536.841 15351.58  539.830  482.606   8.7594  490.681   8.6632 -8.074951 12.31988 
1 1 1    7   11   17 o  177.762   5.4475  1990.87  121.047  2140.38  191.483  1891.36  156.222  183.210   8.2301  172.314   7.1391 10.89658 10.89499 
1 1 1    7   11   18 o  382.791   5.4021  9328.04  261.935  9533.50  386.215  9153.04  356.437  386.641   7.8658  378.941   7.4069 7.700378 10.80429 
1 1 1    7   11   19 o  111.478   7.9043  790.057  110.335  837.625  173.042  757.469  143.227  114.204   11.931  108.753   10.371 5.451172 15.80860 
1 1 1    7   11   20 f  135.497   6.9467  1183.58  116.488  1142.42  185.161  1210.55  149.861  133.391   10.931  137.604   8.5760 -4.212280 13.89335 
1 1 1    7   11   21 o  270.674   5.1791  4655.74  176.134  4832.75  271.661  4527.36  231.349  274.992   7.7791  266.357   6.8395 8.635468 10.35826 
1 1 1    7   11   22 o  188.825   6.8864  2339.58  161.257  1973.82  243.047  2627.20  215.529  175.079   10.931  202.572   8.3782 -27.49242 13.77284 
1 1 1    7   11   23 o  198.526   6.2947  2529.54  157.723  2525.21  236.346  2533.03  211.778  198.256   9.3874  198.797   8.3887 -0.5405426 12.58940 
1 1 1    7   11   24 o  173.984   9.4175  1948.55  208.078   0.0000   0.0000  1948.55  208.078  ?   ?   173.984   9.4175      ?      ? 
1 1 1    7   11   25 o  126.232   8.4609  1030.95  133.555  1089.56  210.209  991.279  172.948  128.959   12.836  123.505   11.027 5.454071 16.92183 
1 1 1    7   11   26 o   91.126   11.458  573.438  126.059  552.467  200.017  587.256  162.364   88.236   18.444   94.016   13.599 -5.780342 22.91552 
1 1 1    7   11   27 o   77.130   13.221  464.566  138.717  228.465  219.982  620.419  178.730   58.837   21.946   95.423   14.749 -36.58619 26.44154 
1 1 1    7   11   28 o  263.311   6.8320  4408.44  223.308  5461.80  366.282  3785.31  281.719  286.954   10.051  239.668   9.2561 47.28629 13.66402 
1 1 1    7   13    0 o  697.400   5.6837 30904.60  503.365 30936.96  713.724 30872.57  710.021  697.762   8.0546  697.038   8.0212 0.7243652 11.36732 
1 1 1    7   13    1 o  647.058   5.3299 26594.77  437.866 26918.28  627.421 26287.61  611.362  650.891   7.5906  643.226   7.4844 7.664185 10.65986 
1 1 1    7   13    2 o  198.066   3.1400  2484.43   78.868  2648.19  115.137  2339.66  108.253  204.197   4.4400  191.934   4.4413 12.26321 6.280040 
1 1 1    7   13    3 f  319.319   3.3309  6476.85  135.021  6256.33  190.436  6699.77  191.467  313.852   4.7780  324.787   4.6421 -10.93484 6.661735 
1 1 1    7   13    4 o  555.796   4.7095 19613.24  332.216 19991.75  479.621 19264.15  460.604  560.943   6.7329  550.648   6.5868 10.29517 9.419030 
1 1 1    7   13    5 o  448.855   4.0112 12792.51  228.584 12483.52  319.051 13118.38  327.655  443.289   5.6676  454.421   5.6778 -11.13181 8.022386 
1 1 1    7   13    6 o  404.047   3.7366 10370.52  191.716 10208.63  269.864 10535.47  272.408  400.864   5.3012  407.231   5.2675 -6.367889 7.473181 
1 1 1    7   13    7 o  482.310   4.2064 14768.59  257.442 15138.75  372.984 14431.79  355.782  488.072   6.0177  476.549   5.8789 11.52295 8.412746 
1 1 1    7   13    8 o  445.378   3.9878 12597.61  225.460 12217.05  313.791 13003.74  324.159  438.431   5.6359  452.326   5.6433 -13.89502 7.975553 
1 1 1    7   13    9 o  386.584   3.6325  9494.74  178.242  9617.06  256.848  9381.12  247.552  388.980   5.1996  384.188   5.0739 4.791687 7.265046 
1 1 1    7   13   10 o  353.866   3.4429  7927.32  154.253  8359.53  229.140  7569.14  208.596  362.643   4.9756  345.090   4.7599 17.55341 6.885709 
1 1 1    7   13   11 o  394.487   4.5899  9860.00  215.459  9783.97  261.850 10019.40  379.142  392.280   5.2563  396.695   7.5260 -4.415741 9.179864 
1 1 1    7   13   12 o  198.460   3.8093  2525.48   81.542  2544.42   93.482  2465.19  166.747  200.110   3.6786  196.811   6.6716 3.298874 7.618583 
1 1 1    7   13   13 o  522.675   5.2519 17413.93  304.763 17428.02  353.767 17373.37  600.174  523.482   5.3215  521.868   9.0561 1.614075 10.50386 
1 1 1    7   13   14 o  193.335   5.1654  2356.75  124.209  2500.00  199.203  2265.63  158.875  198.035   7.9209  188.635   6.6322 9.400024 10.33089 
1 1 1    7   13   15 o   67.239   10.922  325.643   93.379  176.304  153.684  413.045  117.571   54.192   18.553   80.285   11.531 -26.09315 21.84453 
1 1 1    7   13   16 f  196.846   5.4523  2474.18  135.046  2452.48  204.856  2490.86  179.595  196.019   8.2295  197.672   7.1544 -1.653275 10.90456 
1 1 1    7   13   17 o   81.268   11.312  507.438  112.420  185.208  177.426  723.577  145.312   56.323   19.894  106.213   10.773 -49.88979 22.62362 
1 1 1    7   13   18 f  104.628   9.1683  730.721  117.179  594.006  181.422  828.581  153.491   95.663   14.934  113.594   10.640 -17.93095 18.33660 
1 1 1    7   13   19 o  115.767   8.2425  867.170  119.952  838.170  181.275  889.760  159.988  113.904   12.532  117.629   10.710 -3.725159 16.48510 
1 1 1    7   13   20 o  451.856   6.1816 13083.06  354.565 12560.44  497.449 13622.75  505.510  442.634   8.8496  461.078   8.6333 -18.44446 12.36326 
1 1 1    7   13   21 o  179.329   6.3635  2062.73  144.571  2089.22  212.520  2039.91  197.243  180.338   9.2797  178.321   8.7101 2.017807 12.72705 
1 1 1    7   13   22 o  189.458   6.4358  2305.17  154.128  2345.77  230.129  2272.14  207.553  190.861   9.4946  188.055   8.6910 2.806351 12.87168 
1 1 1    7   13   23 o  168.285   7.0754  1861.95  148.397  1635.40  223.538  2040.46  198.429  158.621   11.097  177.950   8.7807 -19.32892 14.15089 
1 1 1    7   13   24 o  216.147   5.8881  2991.39  159.841  3182.49  247.978  2855.55  209.069  221.791   8.8042  210.502   7.8209 11.28889 11.77627 
1 1 1    7   13   25 o  123.977   8.6181  1024.78  133.589  1006.44  206.461  1037.98  175.208  122.498   13.272  125.455   10.997 -2.956276 17.23611 
1 1 1    7   15    0 o  213.232   4.0930  2921.00  102.257  2813.67  182.706  2969.96  123.393  210.287   6.8417  216.176   4.4947 -5.888611 8.186046 
1 1 1    7   15    1 o  541.802   4.6330 18674.14  318.763 18465.39  449.107 18886.06  452.512  538.750   6.5643  544.856   6.5399 -6.106079 9.266046 
1 1 1    7   15    2 o  441.424   3.9784 12389.14  222.980 12453.30  318.771 12327.66  312.021  442.538   5.6722  440.310   5.5802 2.227600 7.956892 
1 1 1    7   15    3 o  351.408   3.5062  7849.10  156.303  7868.61  226.421  7831.34  216.035  351.816   5.0679  351.000   4.8466 0.8161926 7.012343 
1 1 1    7   15    4 o  462.829   4.1160 13594.88  241.496 14085.64  354.377 13169.36  329.980  470.597   5.9298  455.061   5.7101 15.53568 8.232079 
1 1 1    7   15    5 o  166.747   3.4070  1788.39   71.261  1584.38  105.325  1960.61   96.773  157.855   5.2541  175.638   4.3387 -17.78337 6.813905 
1 1 1    7   15    6 o  219.715   3.1914  3075.92   88.819  2925.53  128.173  3214.86  123.192  214.526   4.7048  224.905   4.3133 -10.37859 6.382747 
1 1 1    7   15    7 o  169.457   3.3213  1823.92   70.993  1839.07  106.982  1812.00   94.898  170.074   4.9533  168.840   4.4259 1.233505 6.642605 
1 1 1    7   15    8 o  508.653   4.4065 16451.89  284.513 16032.89  395.308 16902.18  409.807  501.945   6.2016  515.362   6.2617 -13.41684 8.812942 
1 1 1    7   15    9 o  376.784   3.5975  9009.25  171.865  9360.82  251.756  8702.42  235.195  383.644   5.1674  369.925   5.0065 13.71924 7.194972 
1 1 1    7   15   10 o  307.689   3.2960  6022.63  128.723  5906.63  183.842  6134.19  180.294  304.773   4.7500  310.605   4.5708 -5.832184 6.592024 
1 1 1    7   15   11 o  161.874   3.2089  1675.46   65.563  1486.52   93.778  1856.11   91.696  152.882   4.8302  170.866   4.2259 -17.98448 6.417868 
1 1 1    7   15   12 o   92.361   6.9601  545.669   64.580  545.684   71.972  545.609  146.299   92.572   6.1222   92.151   12.502 0.4207382 13.92012 
1 1 1    7   15   13 o  207.481   4.0143  2770.69   89.272  2797.17  102.123  2684.86  183.826  209.758   3.8338  205.204   7.0541 4.554367 8.028608 
1 1 1    7   15   14 o  123.848   5.0992  953.219   59.561  941.016   65.002  1017.09  148.715  121.637   4.2081  126.058   9.2898 -4.420242 10.19845 
1 1 1    7   15   15 o  148.082   6.9186  1403.91  127.632  1417.46  201.426  1394.82  164.978  148.540   10.678  147.624   8.8002 0.9155273 13.83711 
1 1 1    7   15   16 o  247.780   5.4269  3929.82  170.310  3836.45  248.382  4012.68  233.973  244.931   7.9854  250.629   7.3512 -5.697983 10.85387 
1 1 1    7   15   17 o  493.620   6.5729 15639.94  411.899 15284.95  584.851 15989.32  580.205  487.981   9.4377  499.259   9.1512 -11.27805 13.14587 
1 1 1    7   15   18 o   66.332   13.514  261.042  123.324  469.059  203.209  139.760  155.165   82.287   19.706   50.378   18.497 31.90943 27.02764 
1 1 1    7   15   19 f   43.300   12.919   28.360  119.796 -10.5489  195.226   51.860  151.719   43.751   18.977   42.850   17.534 0.9004440 25.83745 
1 1 1    7   15   20 o  217.403   5.8758  3051.60  160.689  2926.06  241.605  3151.18  215.179  213.174   8.9247  221.632   7.6452 -8.457748 11.75157 
1 1 1    7   15   21 o  253.376   5.5666  4116.82  177.193  4221.70  272.659  4040.15  233.136  255.936   8.3890  250.816   7.3194 5.120117 11.13324 
1 1 1    7   15   22 o  180.678   7.9137  2107.79  181.577   0.0000   0.0000  2107.79  181.577  ?   ?   180.678   7.9137      ?      ? 
1 1 1    7   17    0 o  298.866   3.3660  5683.79  127.676  5534.60  182.092  5828.07  179.068  294.996   4.8607  302.737   4.6577 -7.740234 6.732053 
1 1 1    7   17    1 o  295.012   3.4165  5524.45  127.650  5674.17  188.575  5397.83  173.424  298.680   4.9717  291.344   4.6873 7.335999 6.832900 
1 1 1    7   17    2 f  291.900   3.3353  5409.62  123.354  5546.77  181.586  5292.10  168.093  295.317   4.8419  288.482   4.5883 6.834808 6.670585 
1 1 1    7   17    3 o  284.062   3.3967  5132.38  121.861  5129.00  182.061  5135.12  164.022  283.952   5.0489  284.171   4.5451 -0.2187195 6.793316 
1 1 1    7   17    4 o  294.396   3.3875  5500.69  126.329  5671.41  186.456  5355.83  171.760  298.596   4.9171  290.196   4.6607 8.400360 6.774998 
1 1 1    7   17    5 o  283.944   3.3922  5133.55  122.177  4879.76  173.520  5383.09  172.059  276.963   4.9335  290.926   4.6571 -13.96274 6.784370 
1 1 1    7   17    6 o  121.003   4.4640  921.881   67.645  995.377  106.386  872.000   87.645  124.980   6.7029  117.026   5.8975 7.954536 8.928013 
1 1 1    7   17    7 o   86.085   5.7522  482.904   60.821  430.577   96.256  517.682   78.472   82.054   9.2374   90.116   6.8570 -8.062096 11.50431 
1 1 1    7   17    8 o   29.208   8.6522   7.9829   53.240   22.058   83.136  -1.8021   69.318   31.584   12.958   26.833   11.469 4.751358 17.30443 
1 1 1    7   17    9 o  201.422   3.4364  2581.51   87.401  2585.75  130.797  2578.08  117.480  201.547   5.1103  201.296   4.5957 0.2511292 6.872809 
1 1 1    7   17   10 o   91.079   5.0803  522.456   58.342  614.415   88.197  450.909   77.796   98.117   7.0784   84.041   7.2893 14.07610 10.16059 
1 1 1    7   17   11 o  318.046   3.4913  6441.31  140.815  6412.95  204.357  6466.95  194.307  317.356   5.0707  318.736   4.8004 -1.379547 6.982540 
1 1 1    7   17   12 o  188.343   3.5643  2181.10   83.472  2654.49  136.074  1895.50  105.694  204.140   5.2489  172.546   4.8235 31.59355 7.128648 
1 1 1    7   17   13 o  422.241   5.1096 11289.20  254.270 11115.85  305.911 11676.61  457.326  417.541   5.7692  426.942   8.4349 -9.400970 10.21917 
1 1 1    7   17   14 o  125.576   6.7097  960.981   86.192  927.126   95.868  1103.76  196.876  120.522   6.2637  130.630   11.868 -10.10725 13.41936 
1 1 1    7   17   15 o  270.716   4.4890  4757.74  141.600  4882.17  170.621  4482.41  253.808  276.821   4.8535  264.611   7.5530 12.20923 8.977982 
1 1 1    7   17   16 o  168.650   7.6651  1918.80  156.597  1493.27  243.047  2220.82  204.764  151.410   12.640  185.890   8.6740 -34.47987 15.33022 
1 1 1    7   17   17 o  114.302   9.8688  822.902  140.107  1072.73  227.835  670.971  177.674  127.620   14.058  100.984   13.855 26.63670 19.73769 
1 1 1    7   17   18 o  233.423   5.8768  3498.00  173.583  3685.56  258.912  3344.86  233.949  238.987   8.5310  227.858   8.0850 11.12827 11.75351 
1 1 1    7   19    0 o  364.607   3.7749  8469.44  174.529  8440.13  253.571  8495.83  240.583  363.975   5.4859  365.239   5.1869 -1.263977 7.549809 
1 1 1    7   19    1 o  296.236   3.6068  5594.99  135.501  5429.54  194.967  5749.57  188.454  291.967   5.2583  300.504   4.9383 -8.536316 7.213662 
1 1 1    7   19    2 o  120.590   5.4491  929.221   83.291  935.466  121.755  923.727  114.191  120.948   7.9270  120.233   7.4788 0.7145004 10.89817 
1 1 1    7   19    3 o  185.126   3.9688  2178.28   93.102  2267.16  137.201  2102.42  126.751  188.603   5.7284  181.649   5.4946 6.954102 7.937598 
1 1 1    7   19    4 o  143.928   4.9954  1323.15   91.268  1275.78  128.670  1371.12  129.478  141.323   7.1695  146.534   6.9579 -5.211197 9.990710 
1 1 1    7   19    5 o  237.560   5.6177  3597.02  169.475  3597.02  169.475   0.0000   0.0000  237.560   5.6177  ?   ?       ?      ? 
1 1 1    7   19    6 o  359.566   5.3826  8239.33  245.781   0.0000   0.0000  8239.33  245.781  ?   ?   359.566   5.3826      ?      ? 
1 1 1    7   19    7 o  326.711   3.7642  6807.11  156.070  6621.88  222.734  6985.78  218.751  322.315   5.4416  331.108   5.2024 -8.792633 7.528367 
1 1 1    7   19    8 o  351.789   3.7445  7888.18  167.051  7877.58  242.648  7897.74  230.325  351.529   5.4355  352.050   5.1518 -0.5204468 7.489036 
1 1 1    7   19    9 o  169.258   4.0528  1834.66   86.743  1721.91  126.035  1936.14  119.568  164.254   6.0422  174.262   5.4030 -10.00746 8.105605 
1 1 1    7   19   10 o  217.081   3.6296  2992.60   99.491  3108.00  150.026  2902.01  132.924  220.765   5.3513  213.398   4.9050 7.367920 7.259146 
1 1 1    7   19   11 o  183.952   5.2728  2154.90  110.759  2137.78  130.457  2199.10  209.621  183.014   5.6132  184.891   8.9277 -1.877472 10.54569 
1 1 1    7   19   12 o  231.314   3.3967  3412.17   98.972  3409.71  149.738  3414.09  131.891  231.177   5.1005  231.451   4.4872 -0.2736664 6.793372 
1 1 1    7   19   13 f   73.555   10.533  340.713   81.123  321.170   91.229  414.552  177.330   70.369   10.209   76.741   18.428 -6.372017 21.06700 
1 1 1    7   19   14 o   72.384   9.3732  256.550   69.563  198.473   76.151  549.330  170.979   54.113   11.439   90.655   14.852 -36.54218 18.74639 
1 1 1    7   19   15 o  196.019   4.7359  2455.09  117.890  2455.09  117.890   0.0000   0.0000  196.019   4.7359  ?   ?       ?      ? 
1 1 1    7   21    0 o   56.794   9.8756  223.013   81.523   57.472  122.532  354.484  109.197   39.797   15.947   73.791   11.653 -33.99403 19.75120 
1 1 1    7   21    1 o  270.266   3.8325  4657.29  131.310  4765.62  192.312  4562.67  179.727  273.172   5.5436  267.360   5.2935 5.812164 7.665005 
1 1 1    7   21    2 o   77.144   8.6272  377.995   83.077  447.893  133.363  333.671  106.199   82.724   12.695   71.564   11.686 11.15972 17.25432 
1 1 1    7   21    3 o   94.375   7.8273  596.158   90.398  499.550  140.850  663.825  117.880   87.331   12.700  101.420   9.1525 -14.08894 15.65458 
1 1 1    7   21    4 o   45.166   11.246  108.908   81.385  184.508  127.174   56.472  105.913   52.649   16.834   37.683   14.916 14.96579 22.49118 
1 1 1    7   21    5 o  149.507   4.9750  1455.26   92.780  1296.45  140.259  1578.81  123.715  141.974   7.7794  157.040   6.2035 -15.06592 9.949957 
1 1 1    7   21    6 o   73.563   8.8914  346.753   79.431  482.918  125.928  256.781  102.363   85.911   11.542   61.216   13.528 24.69508 17.78278 
1 1 1    7   21    7 o   35.167   10.394   24.778   76.089   26.220  121.546   23.848   97.574   36.864   15.444   33.470   13.914 3.393425 20.78722 
1 1 1    7   21    8 o  117.347   5.6573  910.793   81.318  795.952  128.509  987.485  105.018  110.726   9.1391  123.968   6.6707 -13.24203 11.31469 
1 1 1    7   21    9 o  122.128   5.2313  951.266   80.318  1039.33  124.560  888.588  105.082  126.820   7.7342  117.437   7.0461 9.382980 10.46256 
1 1 1    7   21   10 o  102.392   5.9142  679.101   75.850  693.277  117.846  669.075   99.108  103.119   8.9991  101.665   7.6765 1.453964 11.82846 
1 1 1    7   21   11 o  154.772   5.6937  1549.40  111.377  1352.39  152.057  1777.45  163.596  144.095   8.3096  165.449   7.7863 -21.35382 11.38749 
1 1 1    7   21   12 o  ?   ?  -594.8132  129.360 -594.8132  129.360   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1    7   23    0 o  247.378   4.6444  3715.68  141.297  5234.32  235.859  2865.56  176.467  284.385   6.5308  210.371   6.6054 74.01335 9.288885 
1 1 1    7   23    1 o  175.236   6.1331  1803.61  127.290  3148.00  220.574  1132.33  155.862  219.538   7.9117  130.933   9.3738 88.60434 12.26628 
1 1 1    7   23    2 o   29.257   9.9727 -218.4781  113.561 -437.5894  193.248 -102.9030  140.351   27.596   13.754   30.918   14.444 -3.322163 19.94532 
1 1 1    7   23    3 o   61.405   13.196  274.341  107.712  342.570  184.441  239.029  132.689   66.110   20.147   56.699   17.046 9.411324 26.39126 
1 1 1    7   23    4 o   27.729   9.4568 -222.4635  100.826 -79.9773  146.457 -350.8336  139.013   32.615   15.070   22.843   11.428 9.772158 18.91352 
1 1 1    7   23    5 o   33.058   10.435 -36.9306   90.748   31.668  133.162 -96.4165  124.002   37.302   15.918   28.813   13.498 8.488886 20.87085 
1 1 1    7   23    6 o   63.833   11.461  326.879  108.459  103.730  172.387  473.082  139.536   45.336   18.637   82.331   13.346 -36.99405 22.92254 
1 1 1    7   23    7 o   89.122   11.226  634.206  114.630  415.794  184.574  771.342  146.254   71.660   19.680  106.584   10.805 -34.92361 22.45133 
1 1 1    7   23    8 o   49.854   13.043  181.047  110.940  138.384  164.649  216.521  150.139   46.720   18.564   52.989   18.328 -6.268707 26.08686 
1 1 1    7   23    9 o   60.543   19.086  301.856  163.924  301.856  163.924   0.0000   0.0000   60.543   19.086  ?   ?       ?      ? 
1 1 1    8    0    0 o  596.880   4.8789 22635.12  522.838 22635.12  522.838 22635.12  522.838  596.880   6.8998  596.880   6.8998 -0.000000 0.000000 
1 1 1    8    0    1 o  526.297   4.3750 17597.92  413.401 17597.92  413.401 17597.92  413.401  526.297   6.1873  526.297   6.1873 -0.000000 0.000000 
1 1 1    8    0    2 o  635.241   5.1552 25638.90  587.961 25638.90  587.961 25638.90  587.961  635.241   7.2906  635.241   7.2906 -0.000000 0.000000 
1 1 1    8    0    3 o  748.565   5.9904 35605.87  805.101 35605.87  805.101 35605.87  805.101  748.565   8.4717  748.565   8.4717 -0.000000 0.000000 
1 1 1    8    0    4 o  174.650   2.2663  1938.86   71.030  1938.86   71.030  1938.86   71.030  174.650   3.2050  174.650   3.2050 -0.000000 0.000000 
1 1 1    8    0    6 o  417.442   3.6383 11071.62  272.670 11071.62  272.670 11071.62  272.670  417.442   5.1453  417.442   5.1453 -0.000000 0.000000 
1 1 1    8    0    7 o   25.305   6.9740   55.705   30.243   55.705   30.243   55.705   30.243   25.305   9.8627   25.305   9.8627 -0.000000 0.000000 
1 1 1    8    0    9 o  1040.57   8.1851 68834.60  1529.22 68834.60  1529.22 68834.60  1529.22  1040.57   11.575  1040.57   11.575 -0.000000 0.000000 
1 1 1    8    0   10 o  132.650   2.4109  1119.57   57.351  1119.57   57.351  1119.57   57.351  132.650   3.4096  132.650   3.4096 -0.000000 0.000000 
1 1 1    8    0   11 o  313.764   3.0260  6255.21  170.443  6255.21  170.443  6255.21  170.443  313.764   4.2794  313.764   4.2794 -0.000000 0.000000 
1 1 1    8    0   12 o   17.606   7.5487   18.017   44.226   18.017   44.226   18.017   44.226   17.606   10.675   17.606   10.675 -0.000000 0.000000 
1 1 1    8    0   13 o  511.271   4.3147 16608.02  396.057 16608.02  396.057 16608.02  396.057  511.271   6.1019  511.271   6.1019 -0.000000 0.000000 
1 1 1    8    0   14 o  292.486   3.0040  5435.85  157.722  5435.85  157.722  5435.85  157.722  292.486   4.2483  292.486   4.2483 -0.000000 0.000000 
1 1 1    8    0   15 o  175.831   3.0737  1966.86   96.928  1966.86   96.928  1966.86   96.928  175.831   4.3468  175.831   4.3468 -0.000000 0.000000 
1 1 1    8    0   16 o  772.261   6.2216 37897.01  862.640 37897.01  862.640 37897.01  862.640  772.261   8.7986  772.261   8.7986 -0.000000 0.000000 
1 1 1    8    0   17 o  586.310   4.8786 21841.76  513.547 21841.76  513.547 21841.76  513.547  586.310   6.8994  586.310   6.8994 -0.000000 0.000000 
1 1 1    8    0   18 o  1010.76   11.293 65021.89  2048.89 65021.89  2048.89 65021.89  2048.89  1010.76   15.971  1010.76   15.971 -0.000000 0.000000 
1 1 1    8    0   19 o  461.796   5.7848 13563.53  479.427 13563.53  479.427 13563.53  479.427  461.796   8.1809  461.796   8.1809 -0.000000 0.000000 
1 1 1    8    0   20 o  557.549   4.6972 19763.34  470.192 19763.34  470.192 19763.34  470.192  557.549   6.6428  557.549   6.6428 -0.000000 0.000000 
1 1 1    8    0   21 o  389.226   3.6475  9630.71  254.867  9630.71  254.867  9630.71  254.867  389.226   5.1583  389.226   5.1583 -0.000000 0.000000 
1 1 1    8    0   22 o  568.336   4.7930 20544.58  489.059 20544.58  489.059 20544.58  489.059  568.336   6.7783  568.336   6.7783 -0.000000 0.000000 
1 1 1    8    0   23 o   25.652   10.370   53.891   75.312   53.891   75.312   53.891   75.312   25.652   14.666   25.652   14.666 -0.000000 0.000000 
1 1 1    8    0   24 o  123.290   4.1050  972.811   90.435  972.811   90.435  972.811   90.435  123.290   5.8054  123.290   5.8054 -0.000000 0.000000 
1 1 1    8    0   25 o  484.688   4.2911 14949.02  373.396 14949.02  373.396 14949.02  373.396  484.688   6.0685  484.688   6.0685 -0.000000 0.000000 
1 1 1    8    0   26 o  406.331   3.8797 10506.48  283.007 10506.48  283.007 10506.48  283.007  406.331   5.4868  406.331   5.4868 -0.000000 0.000000 
1 1 1    8    0   28 o   67.380   9.0302  320.209   97.843  320.209   97.843  320.209   97.843   67.380   12.771   67.380   12.771 -0.000000 0.000000 
1 1 1    8    0   29 o  186.513   3.8519  2220.50  128.778  2220.50  128.778  2220.50  128.778  186.513   5.4475  186.513   5.4475 -0.000000 0.000000 
1 1 1    8    0   30 o   95.300   6.7254  599.826  112.478  599.826  112.478  599.826  112.478   95.300   9.5112   95.300   9.5112 -0.000000 0.000000 
1 1 1    8    0   31 o   48.215   13.443  211.562  111.856  211.562  111.856  211.562  111.856   48.215   19.012   48.215   19.012 -0.000000 0.000000 
1 1 1    8    0   33 o   41.927   13.525  177.417  110.675  177.417  110.675  177.417  110.675   41.927   19.128   41.927   19.128 -0.000000 0.000000 
1 1 1    8    2    0 o  480.599   4.0644 14669.36  248.051 14782.68  352.841 14558.62  348.789  482.434   5.7592  478.764   5.7367 3.669586 8.128861 
1 1 1    8    2    1 o  1020.41   11.354 66198.23  1470.01 64588.11  2028.43 67979.23  2133.36  1007.39   15.856  1033.43   16.256 -26.04608 22.70795 
1 1 1    8    2    2 o  862.192   9.6716 47286.79  1058.96 47243.90  1496.30 47329.82  1498.91  861.801   13.672  862.583   13.683 -0.7819214 19.34329 
1 1 1    8    2    3 o  844.825   9.4935 45392.00  1018.33 44839.89  1423.18 45971.23  1457.71  839.571   13.348  850.078   13.503 -10.50714 18.98709 
1 1 1    8    2    4 o  968.990   10.817 59766.51  1330.84 59113.41  1862.10 60448.43  1902.75  963.593   15.217  974.386   15.377 -10.79297 21.63357 
1 1 1    8    2    5 o  810.242   9.1442 41586.28  937.736 39637.07  1265.04 43963.65  1397.09  789.302   12.621  831.182   13.236 -41.87976 18.28848 
1 1 1    8    2    6 o  123.904   2.3070  968.347   35.974  799.156   48.884  1168.19   53.129  112.178   3.4315  135.630   3.0846 -23.45205 4.614096 
1 1 1    8    2    7 o  379.923   3.3992  9141.39  163.702  9599.42  240.577  8746.44  223.397  388.759   4.8730  371.088   4.7405 17.67072 6.798399 
1 1 1    8    2    9 o  625.619   5.1084 24840.51  405.536 25528.54  587.848 24215.73  560.182  633.871   7.3027  617.366   7.1451 16.50525 10.21678 
1 1 1    8    2   10 o  416.073   3.6470 10981.53  192.551 10654.72  265.916 11341.77  279.184  409.575   5.1125  422.571   5.2025 -12.99683 7.294095 
1 1 1    8    2   11 o  198.762   3.1884  2588.99   75.376  2760.89   93.466  2269.23  127.476  208.507   3.5298  189.016   5.3107 19.49149 6.376766 
1 1 1    8    2   12 o  1248.61   12.017 98571.45  1777.91 101311.80  3162.37 97305.02  2149.84  1260.53   19.755  1236.69   13.689 23.84412 24.03444 
1 1 1    8    2   13 o  381.215   3.4713  9162.52  167.345  8513.75  224.443  9974.68  251.120  366.131   4.8272  396.299   4.9898 -30.16742 6.942564 
1 1 1    8    2   14 f  207.910   5.2515  2745.37  138.656  2745.37  138.656   0.0000   0.0000  207.910   5.2515  ?   ?       ?      ? 
1 1 1    8    2   15 o  443.395   4.8071 12322.99  252.513 12040.28  304.541 12944.96  451.711  435.397   5.5079  451.393   7.8800 -15.99670 9.614120 
1 1 1    8    2   16 o  433.361   3.8821 11921.58  213.582 11662.53  297.610 12196.69  306.697  428.510   5.4690  438.212   5.5112 -9.702271 7.764247 
1 1 1    8    2   17 o  313.408   3.2162  6238.11  128.001  6174.53  180.616  6302.26  181.429  311.803   4.5614  315.012   4.5352 -3.208984 6.432323 
1 1 1    8    2   18 o  745.826   6.0211 35343.32  570.140 34849.59  795.623 35864.48  817.417  740.478   8.4609  751.173   8.5689 -10.69519 12.04215 
1 1 1    8    2   19 o  315.099   3.2314  6305.82  129.285  6170.34  181.145  6446.47  184.575  311.651   4.5770  318.548   4.5627 -6.897369 6.462740 
1 1 1    8    2   20 o  205.869   3.0148  2691.78   78.787  2800.96  112.683  2587.35  110.203  209.953   4.2263  201.786   4.3006 8.167114 6.029631 
1 1 1    8    2   21 f  253.085   3.0546  4070.79   98.166  4002.12  138.522  4140.07  139.135  250.939   4.3468  255.230   4.2927 -4.291183 6.109163 
1 1 1    8    2   22 o  209.954   3.0787  2800.81   82.058  2845.00  117.919  2759.31  114.262  211.557   4.3891  208.351   4.3185 3.206741 6.157415 
1 1 1    8    2   23 o   93.709   7.0697  619.942   70.473  450.612  134.789  683.645   82.674   83.792   12.667  103.626   6.2823 -19.83336 14.13932 
1 1 1    8    2   24 o  233.716   3.1950  3474.54   94.810  3429.93  134.781  3518.24  133.392  232.226   4.5703  235.206   4.4658 -2.979248 6.389916 
1 1 1    8    2   25 o   87.352   5.4418  486.435   60.267  474.168   82.494  500.475   88.258   86.183   7.5375   88.521   7.8511 -2.338211 10.88359 
1 1 1    8    2   26 o  420.370   3.9744 11247.68  212.049 10877.07  294.040 11649.28  306.087  413.167   5.6041  427.573   5.6371 -14.40594 7.948747 
1 1 1    8    2   27 o  202.988   4.1798  2634.16  107.416  2859.19  151.489  2406.62  152.334  211.769   5.6330  194.207   6.1767 17.56145 8.359561 
1 1 1    8    2   28 o  175.551   3.9271  1965.82   87.532  2016.96  124.140  1915.27  123.441  177.830   5.4971  173.273   5.6099 4.556976 7.854196 
1 1 1    8    2   29 o   88.686   10.212  582.988   89.513  430.932  183.823  630.250  102.484   78.365   18.727   99.006   8.1511 -20.64135 20.42386 
1 1 1    8    2   30 o  142.152   6.7609  1359.38  101.112  1227.62  208.728  1399.78  115.579  136.542   12.037  147.762   6.1594 -11.21951 13.52181 
1 1 1    8    2   31 o   69.974   12.202  332.842   94.026  398.285  200.194  314.319  106.504   72.531   20.709   67.417   12.910 5.113350 24.40374 
1 1 1    8    2   32 o  195.105   6.5720  2456.99  141.008  2643.81  285.111  2396.50  162.240  197.981   11.340  192.229   6.6460 5.751740 13.14399 
1 1 1    8    2   33 o   63.392   13.867  315.464  118.341  399.375  202.309  271.818  145.907   68.280   21.152   58.504   17.937 9.776161 27.73318 
1 1 1    8    4    0 o  599.214   5.6928 22687.25  372.827 22564.24  428.634 23069.51  755.628  596.012   5.6631  602.417   9.8772 -6.404785 11.38550 
1 1 1    8    4    1 o  974.245   7.6993 60350.35  952.529 60038.86  1339.60 60668.89  1354.68  971.707   10.856  976.783   10.921 -5.076660 15.39861 
1 1 1    8    4    2 f  268.822   2.8344  4558.88   96.343  4276.72  129.119  4913.28  144.709  259.502   3.9181  278.142   4.0969 -18.64044 5.668823 
1 1 1    8    4    3 f  463.092   3.9833 13621.73  234.233 13560.98  328.650 13684.45  333.925  462.044   5.6011  464.141   5.6653 -2.096588 7.966654 
1 1 1    8    4    4 o  591.886   4.8737 22249.82  366.238 22637.64  525.283 21882.95  510.894  596.901   6.9297  586.871   6.8550 10.03009 9.747411 
1 1 1    8    4    5 o  567.965   4.7043 20419.59  338.456 21530.37  500.702 19485.01  459.276  582.129   6.7730  553.800   6.5304 28.32880 9.408530 
1 1 1    8    4    6 o  754.577   7.4105 36387.86  674.881 35613.77  1143.40 36801.71  836.048  748.216   12.034  760.938   8.6518 -12.72180 14.82093 
1 1 1    8    4    7 o  955.199   9.2415 58385.55  1067.65 56958.39  1799.10 59161.36  1326.47  945.826   14.978  964.572   10.829 -18.74609 18.48293 
1 1 1    8    4    8 o  602.084   4.9659 23027.93  379.659 23243.94  541.427 22818.97  532.520  604.860   7.0487  599.308   6.9969 5.552307 9.931814 
1 1 1    8    4    9 o  761.370   8.6805 36838.94  839.303 36838.94  839.303   0.0000   0.0000  761.370   8.6805  ?   ?       ?      ? 
1 1 1    8    4   10 o  691.526   5.6250 30349.93  493.536 31193.52  716.493 29588.29  680.804  700.654   8.0525  682.399   7.8561 18.25415 11.24993 
1 1 1    8    4   11 o  678.589   7.8188 29257.96  673.793 29257.96  673.793   0.0000   0.0000  678.589   7.8188  ?   ?       ?      ? 
1 1 1    8    4   12 o  219.719   2.6506  3055.48   73.826  3243.48  108.444  2893.10  100.786  225.996   3.7786  213.441   3.7183 12.55481 5.301258 
1 1 1    8    4   13 o  465.520   4.0312 13761.36  238.285 13596.51  333.745 13932.77  340.323  462.677   5.6802  468.362   5.7218 -5.685364 8.062440 
1 1 1    8    4   14 o  351.710   3.3932  7854.68  151.540  7741.79  212.593  7971.29  216.070  349.141   4.7948  354.278   4.8026 -5.136932 6.786359 
1 1 1    8    4   15 o  362.987   3.4976  8368.12  161.227  8386.11  228.653  8350.32  227.371  363.375   4.9550  362.599   4.9378 0.7760010 6.995256 
1 1 1    8    4   16 o  282.579   3.0749  5071.09  110.338  4987.35  155.633  5155.72  156.452  280.233   4.3732  284.925   4.3239 -4.691681 6.149899 
1 1 1    8    4   17 o  396.648   3.6487  9963.45  183.429 10452.60  269.943  9543.85  250.017  405.664   5.2400  387.633   5.0789 18.03107 7.297445 
1 1 1    8    4   18 o  261.921   3.0104  4353.65  100.080  4170.57  139.366  4548.60  143.808  256.239   4.2829  267.602   4.2317 -11.36243 6.020833 
1 1 1    8    4   19 o  428.257   3.8440 11653.65  208.998 11805.47  299.842 11510.19  291.472  430.965   5.4786  425.548   5.3935 5.416870 7.688000 
1 1 1    8    4   20 o  325.081   3.2911  6710.75  135.767  6871.96  196.541  6563.61  187.766  328.809   4.7069  321.354   4.6010 7.454376 6.582106 
1 1 1    8    4   21 o  346.315   3.4016  7625.46  149.581  7568.80  212.638  7680.96  210.459  345.037   4.8529  347.592   4.7678 -2.554565 6.803104 
1 1 1    8    4   22 o  266.383   2.9638  4471.97   98.986  4745.32  154.567  4281.91  128.883  273.206   4.4550  259.560   3.9100 13.64563 5.927526 
1 1 1    8    4   23 o  171.863   4.7579  1936.91   84.001  1787.68  181.122  1977.80   94.814  167.352   8.5225  176.374   4.2331 -9.022537 9.515857 
1 1 1    8    4   24 o  179.787   4.4328  1990.85   85.240  2187.62  181.515  1935.18   96.547  185.140   7.7203  174.434   4.3584 10.70546 8.865613 
1 1 1    8    4   25 o   93.449   8.5064  550.292   75.701  581.992  185.856  543.987   82.888   94.577   15.474   92.322   7.0699 2.255394 17.01288 
1 1 1    8    4   26 o  145.449   7.6817  1529.56  111.560  1087.08  230.835  1664.41  127.429  129.359   14.052  161.539   6.2118 -32.18057 15.36344 
1 1 1    8    4   27 o  164.635   5.7373  1602.80   95.401  1964.13  224.986  1523.59  105.340  174.668   10.143  154.603   5.3653 20.06537 11.47459 
1 1 1    8    4   28 o  154.999   5.9831  1444.39   95.014  1715.59  218.219  1380.94  105.544  162.906   10.548  147.092   5.6503 15.81407 11.96621 
1 1 1    8    4   29 o   61.786   12.737  235.166   81.902  297.349  220.800  225.245   88.193   65.982   22.240   57.590   12.424 8.391403 25.47463 
1 1 1    8    4   30 o  100.485   8.6553  541.178   90.547  920.820  216.352  460.560   99.698  116.863   14.578   84.107   9.3343 32.75633 17.31056 
1 1 1    8    4   31 o   33.002   11.124 -92.0345   90.558 -121.0286  229.483 -86.6867   98.556   40.330   18.716   25.675   12.030 14.65443 22.24830 
1 1 1    8    4   32 o   39.965   12.384 -31.1178  110.744  151.516  207.249 -104.1061  131.017   50.546   20.566   29.383   13.800 21.16276 24.76710 
1 1 1    8    4   33 o  121.525   9.3103  1005.65  140.280  1337.65  228.908  805.988  177.520  136.828   13.174  106.223   13.160 30.60490 18.62066 
1 1 1    8    6    0 o  281.144   2.8311  5018.88  101.067  4951.32  141.629  5088.99  144.268  279.216   3.9942  283.071   4.0133 -3.855011 5.662158 
1 1 1    8    6    1 o  422.035   4.2863 11401.28  201.561 11496.52  234.833 11134.81  392.813  425.457   4.3464  418.612   7.3892 6.844421 8.572677 
1 1 1    8    6    2 o  951.763   8.7188 57279.77  905.073 56948.39  1039.50 58318.26  1840.17  946.581   8.6474  956.946   15.142 -10.36542 17.43757 
1 1 1    8    6    3 o  814.429   7.5039 42241.39  674.065 42308.39  779.856 42043.48  1340.37  815.992   7.5258  812.865   12.985 3.126404 15.00786 
1 1 1    8    6    4 o  735.100   6.7989 34740.15  558.648 35183.94  652.779 33525.59  1079.92  744.171   6.9074  726.028   11.713 18.14301 13.59781 
1 1 1    8    6    5 o  783.126   7.3303 37813.48  606.700 36910.57  684.342 41129.05  1311.38  762.209   7.0700  804.043   12.843 -41.83453 14.66054 
1 1 1    8    6    6 o  1116.97   12.461 79483.34  1767.13 80251.59  2531.50 78753.20  2467.92  1122.20   17.764  1111.74   17.480 10.46252 24.92202 
1 1 1    8    6    7 o  283.561   5.9484  5107.54  214.202  5107.54  214.202   0.0000   0.0000  283.561   5.9484  ?   ?       ?      ? 
1 1 1    8    6    8 o  420.335   4.3281 11180.90  199.798 11139.20  230.339 11307.60  401.525  418.802   4.3309  421.869   7.4948 -3.067017 8.656111 
1 1 1    8    6    9 o  322.534   4.5873  6611.32  187.794  6388.34  266.230  6832.14  264.936  317.116   6.6109  327.952   6.3614 -10.83578 9.174520 
1 1 1    8    6   10 o  976.510   10.933 60675.98  1355.44 61510.08  1943.90 59886.67  1890.97  983.022   15.572  969.997   15.351 13.02527 21.86611 
1 1 1    8    6   11 o  550.477   6.5525 19239.88  457.758 19682.13  662.114 18834.95  633.565  556.527   9.3685  544.428   9.1638 12.09955 13.10507 
1 1 1    8    6   12 o  228.437   4.5167  3283.18  130.199  3590.17  198.192  3050.11  172.690  237.739   6.5646  219.134   6.2055 18.60515 9.033415 
1 1 1    8    6   13 f  461.496   5.9129 13526.74  346.457 13134.55  485.152 13934.90  494.923  454.671   8.4024  468.322   8.3218 -13.65051 11.82590 
1 1 1    8    6   14 o  1006.60   11.281 64464.13  1441.62 63402.85  2007.54 65594.08  2071.48  998.069   15.839  1015.13   16.069 -17.06482 22.56262 
1 1 1    8    6   15 o  449.877   5.7620 12847.72  328.979 13185.98  475.743 12537.75  455.416  455.543   8.2237  444.210   8.0731 11.33286 11.52408 
1 1 1    8    6   16 o  232.291   4.8185  3438.06  140.783  3354.12  213.022  3503.16  187.588  229.757   7.3009  234.826   6.2905 -5.069427 9.637094 
1 1 1    8    6   17 o  477.453   4.9929 14038.76  254.475 15328.20  542.834 13675.57  288.092  490.937   8.7069  463.970   4.8895 26.96704 9.985868 
1 1 1    8    6   18 o  132.992   4.9519  1146.02   61.256  1094.26  151.475  1156.14   66.977  131.084   9.0994  134.900   3.9096 -3.816284 9.903723 
1 1 1    8    6   19 o  193.913   4.0505  2360.42   71.725  2435.86  185.006  2347.08   77.811  195.611   7.4476  192.215   3.1877 3.395813 8.101101 
1 1 1    8    6   20 o  336.426   4.1222  7089.70  143.419  7390.01  316.194  7011.92  160.925  340.669   7.3088  332.182   3.8148 8.486603 8.244433 
1 1 1    8    6   21 o  149.596   4.9518  1485.14   63.515  1345.09  170.803  1507.61   68.422  145.162   9.2654  154.031   3.4979 -8.868744 9.903698 
1 1 1    8    6   22 o  201.238   4.4699  2629.33   83.012  2505.19  207.088  2653.10   90.610  198.154   8.2295  204.322   3.4921 -6.167542 8.939778 
1 1 1    8    6   23 o   77.435   9.4855  433.055   54.947  344.635  164.930  444.094   58.276   71.344   18.158   83.525   5.4941 -12.18048 18.97094 
1 1 1    8    6   24 o  259.992   4.2323  4178.98  108.115  4512.77  257.129  4107.29  119.160  265.823   7.6170  254.161   3.6919 11.66231 8.464499 
1 1 1    8    6   25 o   84.324   8.1086  332.011   63.855  675.869  182.344  283.949   68.172  102.023   14.074   66.626   8.0572 35.39702 16.21718 
1 1 1    8    6   26 o   47.527   11.388  147.152   69.500   3.1260  200.789  166.757   74.079   45.243   19.433   49.812   11.878 -4.569160 22.77552 
1 1 1    8    6   27 o  147.081   6.0334  1372.60   80.307  1412.31  208.692  1365.70   87.006  147.749   11.122  146.413   4.6795 1.336838 12.06676 
1 1 1    8    6   28 o  329.169   4.6938  6737.99  171.467  7356.19  344.972  6535.14  197.605  338.258   8.0308  320.080   4.8614 18.17770 9.387589 
1 1 1    8    6   29 o   97.228   9.6818  652.137   74.301  616.306  209.501  657.292   79.467   93.218   18.351  101.239   6.1811 -8.021111 19.36369 
1 1 1    8    6   30 f  191.040   6.2556  2394.50  150.129  2295.94  226.750  2471.43  200.327  187.091   9.5437  194.988   8.0901 -7.897018 12.51125 
1 1 1    8    6   31 o   24.334   8.7125 -529.7053  124.668 -526.5052  199.313 -531.7618  159.784   26.565   13.346   22.103   11.204 4.461550 17.42504 
1 1 1    8    6   32 o  191.759   6.1831  2428.96  146.504  2545.61  238.178  2357.96  185.814  194.448   9.6454  189.070   7.7389 5.378433 12.36623 
1 1 1    8    8    0 o  446.810   3.8665 12680.40  219.388 12712.93  311.406 12648.33  309.131  447.379   5.4812  446.242   5.4550 1.137390 7.733057 
1 1 1    8    8    1 o  715.936   5.7701 32569.35  524.596 32690.42  744.844 32450.19  738.972  717.255   8.1774  714.617   8.1429 2.638123 11.54018 
1 1 1    8    8    2 o  457.538   3.9401 13287.85  228.824 13581.52  329.854 13015.43  317.699  462.407   5.6172  452.670   5.5266 9.736786 7.880104 
1 1 1    8    8    3 o  730.541   5.8781 33906.93  545.253 33547.66  763.597 34280.69  778.839  726.596   8.2755  734.486   8.3500 -7.890381 11.75611 
1 1 1    8    8    4 o  834.571   8.1588 44211.14  813.075 44058.63  992.422 44522.52  1418.02  832.592   9.3861  836.551   13.348 -3.959167 16.31762 
1 1 1    8    8    5 o  755.303   6.9776 36745.33  591.994 37316.67  694.165 35221.63  1133.62  766.403   7.1323  744.203   11.995 22.20093 13.95525 
1 1 1    8    8    6 f  949.969   8.6771 57587.57  912.028 57791.82  1057.41 56994.19  1802.30  953.641   8.7313  946.297   14.998 7.344543 17.35411 
1 1 1    8    8    7 o  420.661   4.3711 11103.52  198.928 10981.70  227.306 11502.08  411.147  415.834   4.3044  425.488   7.6091 -9.653503 8.742204 
1 1 1    8    8    8 o  780.901   7.2347 38987.09  628.569 39236.04  731.401 38283.79  1229.36  785.885   7.3286  775.917   12.476 9.967346 14.46949 
1 1 1    8    8    9 o  335.011   3.8163  7196.35  140.488  7265.58  162.554  6992.03  279.271  338.247   3.7843  331.776   6.6283 6.471313 7.632531 
1 1 1    8    8   10 o  559.519   6.7497 19895.29  479.584 19828.41  680.319 19961.35  676.167  558.582   9.5907  560.456   9.5003 -1.873840 13.49947 
1 1 1    8    8   11 o  448.182   5.8827 12762.58  334.783 12742.46  476.695 12782.16  470.279  447.831   8.3820  448.532   8.2563 -0.7013550 11.76539 
1 1 1    8    8   12 o  634.687   7.5001 25581.65  604.174 24911.90  837.458 26308.58  872.482  626.037   10.534  643.338   10.679 -17.30060 15.00022 
1 1 1    8    8   13 o  805.829   9.1936 41302.70  940.796 41461.79  1336.30 41146.36  1324.75  807.364   13.033  804.294   12.970 3.070068 18.38723 
1 1 1    8    8   14 o  515.812   6.3719 16910.96  417.375 16799.93  591.076 17021.38  589.443  514.121   9.0532  517.503   8.9691 -3.382202 12.74384 
1 1 1    8    8   15 o  309.255   4.9082  6082.34  192.616  5890.17  274.583  6268.52  270.269  304.435   7.1023  314.074   6.7762 -9.638275 9.816315 
1 1 1    8    8   16 o  683.061   7.9588 29708.40  689.924 28995.32  954.983 30486.91  997.828  674.519   11.149  691.603   11.361 -17.08319 15.91755 
1 1 1    8    8   17 o  272.456   4.8954  4718.43  168.826  4213.27  234.498  5262.03  243.255  257.310   7.1764  287.602   6.6603 -30.29092 9.790795 
1 1 1    8    8   18 o  293.547   4.9140  5470.51  182.049  5606.85  274.583  5363.56  243.182  296.767   7.2858  290.326   6.5958 6.441315 9.827910 
1 1 1    8    8   19 o   44.834   12.261   78.455   97.060  119.286  157.819   53.617  123.091   49.476   18.562   40.193   16.026 9.283119 24.52262 
1 1 1    8    8   20 o  168.833   5.6955  1841.76  119.515  1685.45  184.677  1954.40  156.771  162.504   8.9489  175.161   7.0477 -12.65675 11.39095 
1 1 1    8    8   21 o   46.830   16.178  129.163  116.961   0.0000   0.0000  129.163  116.961  ?   ?    46.830   16.178      ?      ? 
1 1 1    8    8   22 o  237.953   5.1908  3612.80  156.160  3604.67  231.877  3619.56  211.250  237.655   7.6830  238.251   6.9820 -0.5962982 10.38162 
1 1 1    8    8   23 o  175.870   5.3657  1960.25  119.233  2126.02  180.000  1830.64  159.160  182.418   7.7701  169.321   7.4019 13.09766 10.73141 
1 1 1    8    8   24 o   26.232   9.1320 -298.9884  104.723 -356.9343  167.904 -262.0948  133.975   27.333   13.480   25.130   12.323 2.203590 18.26406 
1 1 1    8    8   25 o   25.348   8.9030 -367.9348  109.726 -405.5154  165.851 -338.6808  146.328   25.885   12.876   24.810   12.299 1.075220 17.80599 
1 1 1    8    8   26 o  255.097   5.6481  4172.70  181.719  4171.54  273.346  4173.62  243.256  254.919   8.4437  255.274   7.5038 -0.3551025 11.29613 
1 1 1    8    8   27 f   94.056   11.564  614.596  130.290  528.765  203.733  673.990  169.477   86.779   19.013  101.332   13.170 -14.55248 23.12849 
1 1 1    8    8   28 o   67.006   13.875  302.922  119.123  387.785  211.880  263.700  144.045   72.856   21.455   61.155   17.599 11.70122 27.74939 
1 1 1    8    8   29 o   90.192   12.212  556.153  135.291  736.268  215.947  439.780  173.580  102.801   16.541   77.583   17.971 25.21722 24.42477 
1 1 1    8    8   30 o  ?   ?  -906.7675  142.523 -1215.3850  237.923 -734.0420  177.993  ?   ?   ?   ?       ?      ? 
1 1 1    8    8   31 o  138.486   7.7821  1249.92  132.695  1569.27  223.682  1076.51  164.831  150.889   11.673  126.082   10.295 24.80700 15.56425 
1 1 1    8    8   32 o   77.956   12.748  533.505  123.845  388.361  214.174  606.415  151.797   64.338   21.902   91.575   13.053 -27.23695 25.49698 
1 1 1    8   10    0 o  755.717   6.0722 36174.73  581.382 37887.01  858.604 34724.92  790.063  772.169   8.7559  739.264   8.4156 32.90436 12.14449 
1 1 1    8   10    1 o  809.830   6.4702 41584.63  664.319 43194.00  973.875 40184.07  908.505  824.442   9.3018  795.219   8.9963 29.22272 12.94048 
1 1 1    8   10    2 o  423.536   3.7664 11390.21  202.529 11517.33  290.253 11269.59  282.735  425.838   5.3673  421.235   5.2854 4.603119 7.532810 
1 1 1    8   10    3 o  568.989   4.7393 20559.93  342.381 20813.06  490.104 20318.65  478.503  572.407   6.7423  565.571   6.6622 6.836731 9.478580 
1 1 1    8   10    4 o  819.106   6.5513 42628.96  681.407 42962.89  971.575 42305.71  955.926  822.260   9.3044  815.952   9.2253 6.307861 13.10264 
1 1 1    8   10    5 o  314.792   4.5756  6293.24  182.915  6293.24  182.915   0.0000   0.0000  314.792   4.5756  ?   ?       ?      ? 
1 1 1    8   10    6 o  401.547   3.6889 10233.55  188.002 10440.42  271.482 10042.93  260.603  405.443   5.2727  397.652   5.1606 7.790802 7.377876 
1 1 1    8   10    7 o  455.349   5.0305 12941.78  268.396 12592.33  320.417 13763.62  491.375  445.263   5.6666  465.435   8.3134 -20.17126 10.06093 
1 1 1    8   10    8 o  319.038   4.1112  6573.15  144.044  6684.21  166.941  6249.51  284.976  324.427   4.0520  313.649   7.1546 10.77838 8.222360 
1 1 1    8   10    9 o   70.538   7.7017  280.145   47.646  264.465   51.097  384.593  131.878   64.525   6.2358   76.551   14.085 -12.02570 15.40342 
1 1 1    8   10   10 o  533.760   5.2821 18309.44  314.156 18542.21  366.441 17663.85  610.256  540.310   5.3405  527.209   9.1149 13.10101 10.56421 
1 1 1    8   10   11 o  560.734   6.7956 19895.62  482.645 18765.63  654.300 21244.36  714.834  543.356   9.4823  578.112   9.7368 -34.75690 13.59116 
1 1 1    8   10   12 o  428.743   5.6543 11679.05  307.747 11815.96  442.254 11550.51  428.513  431.174   8.0768  426.311   7.9151 4.862579 11.30862 
1 1 1    8   10   13 o  114.203   7.4851  850.104  105.095  738.997  164.533  926.677  136.590  107.707   12.029  120.699   8.9112 -12.99217 14.97025 
1 1 1    8   10   14 o  1054.60   11.878 71279.96  1590.55 71923.28  2271.00 70660.57  2228.36  1059.22   16.883  1049.98   16.712 9.238647 23.75554 
1 1 1    8   10   15 o  219.070   4.9186  3063.47  136.342  2908.72  198.228  3202.41  187.825  213.779   7.3017  224.361   6.5922 -10.58197 9.837263 
1 1 1    8   10   16 f  393.524   5.4311  9864.19  271.314  9771.04  388.020  9953.31  379.513  391.687   7.8008  395.360   7.5589 -3.672821 10.86223 
1 1 1    8   10   17 o  183.126   5.2903  2160.25  121.551  1924.70  179.889  2358.15  164.888  173.782   8.1512  192.469   6.7461 -18.68698 10.58069 
1 1 1    8   10   18 o  283.690   4.9290  5131.76  177.350  4873.13  252.123  5385.08  249.520  276.581   7.1782  290.800   6.7567 -14.21930 9.857911 
1 1 1    8   10   19 o  266.939   4.9828  4529.86  168.429  4676.39  249.331  4406.87  228.429  270.873   7.2483  263.005   6.8393 7.867432 9.965574 
1 1 1    8   10   20 o  180.290   5.5684  2067.33  127.004  2152.77  189.507  1997.67  171.117  183.631   8.1265  176.950   7.6149 6.680420 11.13674 
1 1 1    8   10   21 o   51.399   12.747  155.147  101.961  149.024  158.978  159.425  132.892   51.801   18.768   50.997   17.253 0.8034782 25.49347 
1 1 1    8   10   22 o  107.720   8.5891  746.995  117.296  810.798  170.129  689.190  161.936  112.122   11.948  103.318   12.342 8.803391 17.17824 
1 1 1    8   10   23 o  620.413   7.6082 23648.69  579.563 29351.77  984.805 20626.95  716.843  674.362   11.500  566.464   9.9649 107.8977 15.21640 
1 1 1    8   10   24 o  107.791   9.0753  751.889  120.490  766.352  196.512  743.176  152.524  108.330   14.284  107.253   11.198 1.077324 18.15069 
1 1 1    8   10   25 o  115.743   8.8950  866.793  128.784  909.789  202.197  837.445  167.051  117.912   13.503  113.573   11.582 4.339249 17.79006 
1 1 1    8   10   26 o  137.411   8.0890  1261.87  133.057  1135.47  223.028  1331.72  165.795  131.255   13.380  143.567   9.0937 -12.31215 16.17800 
1 1 1    8   10   27 o   94.319   11.170  570.165  126.608  792.882  216.536  454.473  156.064  107.999   15.788   80.640   15.805 27.35909 22.33960 
1 1 1    8   10   28 o  125.137   10.068  1066.86  157.439  1098.48  246.492  1045.07  204.616  125.920   15.414  124.353   12.957 1.567192 20.13681 
1 1 1    8   10   29 o  116.899   11.212  1016.58  153.740  768.168  231.784  1211.72  205.436  100.485   18.856  133.312   12.135 -32.82727 22.42341 
1 1 1    8   10   30 f   44.442   17.994  114.463  157.773   0.0000   0.0000  114.463  157.773  ?   ?    44.442   17.994      ?      ? 
1 1 1    8   12    0 o  447.709   4.0100 12715.59  227.772 13074.25  330.974 12392.89  313.937  453.697   5.7445  441.721   5.5965 11.97684 8.019973 
1 1 1    8   12    1 o  551.036   5.7294 19384.59  380.803 19592.21  471.318 18994.26  646.253  555.361   6.6828  546.711   9.3082 8.649780 11.45877 
1 1 1    8   12    2 o  1044.64   8.2434 69360.44  1093.31 70302.45  1567.14 68467.21  1526.03  1051.54   11.736  1037.74   11.580 13.79773 16.48680 
1 1 1    8   12    3 o  424.530   3.8505 11434.88  207.463 11105.47  287.329 11793.66  299.867  418.150   5.4109  430.910   5.4798 -12.75974 7.701039 
1 1 1    8   12    4 o  348.094   3.4376  7692.95  151.929  7485.53  212.789  7908.64  216.992  343.309   4.8808  352.879   4.8422 -9.570007 6.875211 
1 1 1    8   12    5 o  140.775   3.5519  1268.18   62.926  1171.94   93.290  1348.52   85.235  135.835   5.4081  145.715   4.6061 -9.880310 7.103804 
1 1 1    8   12    6 o  308.516   3.2855  6017.31  128.214  6345.24  191.796  5752.35  172.397  316.078   4.7782  300.954   4.5108 15.12476 6.571046 
1 1 1    8   12    7 o  322.728   3.3261  6617.95  136.246  6509.17  194.854  6722.00  190.577  320.130   4.7930  325.325   4.6129 -5.195068 6.652200 
1 1 1    8   12    8 o  137.920   3.2511  1197.14   56.551  1300.10   86.314  1119.69   74.855  143.067   4.7508  132.773   4.4395 10.29404 6.502209 
1 1 1    8   12    9 o  172.598   4.1492  1850.17   81.179  1800.52   94.713  1987.63  157.583  168.359   4.4299  176.837   7.0171 -8.477814 8.298454 
1 1 1    8   12   10 o  260.586   3.7976  4447.92  109.999  4600.48  128.896  4039.01  211.025  269.116   3.7716  252.056   6.5927 17.06078 7.595252 
1 1 1    8   12   11 o  259.427   3.7803  4365.32  106.650  4450.65  123.111  4108.71  213.492  264.685   3.6626  254.169   6.6143 10.51534 7.560644 
1 1 1    8   12   12 o  552.523   5.4682 19663.53  338.883 19928.70  396.868 18949.71  651.135  559.836   5.5822  545.209   9.4044 14.62659 10.93635 
1 1 1    8   12   13 f  421.579   5.6306 11321.38  301.342 11283.32  431.558 11357.61  420.965  420.868   8.0745  422.289   7.8498 -1.420471 11.26129 
1 1 1    8   12   14 o  326.116   5.0169  6771.31  207.750  6642.82  293.050  6901.13  294.561  323.000   7.1443  329.232   7.0452 -6.232483 10.03379 
1 1 1    8   12   15 o  172.526   5.3892  1905.96  116.875  1825.25  176.262  1969.29  156.134  169.202   8.2031  175.850   6.9917 -6.647186 10.77838 
1 1 1    8   12   16 o  236.162   5.0448  3539.68  149.859  3650.61  229.782  3457.57  197.687  239.320   7.5607  233.004   6.6809 6.315796 10.08955 
1 1 1    8   12   17 o  219.297   5.0823  3074.44  140.784  2968.83  208.084  3163.58  191.185  215.764   7.5942  222.829   6.7562 -7.064774 10.16457 
1 1 1    8   12   18 o  332.417   5.1647  7047.37  217.792  7072.15  315.613  7024.84  300.919  332.941   7.4647  331.893   7.1396 1.048340 10.32934 
1 1 1    8   12   19 o   57.696   12.775  199.935  104.798  304.617  166.480  131.228  134.874   67.111   18.789   48.282   17.314 18.82880 25.54997 
1 1 1    8   12   20 o  320.189   5.2002  6555.69  210.997  6431.43  306.926  6667.03  290.536  317.240   7.6185  323.139   7.0800 -5.899261 10.40037 
1 1 1    8   12   21 f  405.509   5.8980 10503.14  303.006 10919.04  447.251 10150.30  411.953  412.829   8.5311  398.189   8.1467 14.64096 11.79608 
1 1 1    8   12   22 f  249.103   5.5384  3979.87  174.855  3716.28  248.413  4238.71  246.165  240.837   8.1222  257.370   7.5317 -16.53352 11.07685 
1 1 1    8   12   23 o   82.654   12.720  471.063  129.686  504.053  187.679  440.918  179.407   85.510   17.859   79.798   18.118 5.712280 25.44029 
1 1 1    8   12   24 o  270.803   5.6133  4703.77  191.898  4811.72  288.867  4618.50  256.735  273.413   8.3196  268.192   7.5381 5.220764 11.22667 
1 1 1    8   12   25 o   68.988   21.712  343.335  212.225  343.335  212.225   0.0000   0.0000   68.988   21.712  ?   ?       ?      ? 
1 1 1    8   12   26 o  156.375   7.3535  1600.76  145.594  1770.57  215.015  1456.97  197.856  164.032   10.322  148.719   10.476 15.31270 14.70696 
1 1 1    8   12   27 o  252.142   8.8549  4177.30  283.536   0.0000   0.0000  4177.30  283.536  ?   ?   252.142   8.8549      ?      ? 
1 1 1    8   14    0 o  267.234   3.1407  4539.95  106.508  4405.13  151.939  4670.21  149.346  263.327   4.5435  271.140   4.3373 -7.813110 6.281413 
1 1 1    8   14    1 o  334.542   3.4147  7104.47  144.920  7238.30  210.591  6984.08  199.736  337.529   4.9130  331.555   4.7438 5.973297 6.829437 
1 1 1    8   14    2 o  178.760   3.1979  2033.81   72.347  1981.97  106.039  2078.94   98.955  176.621   4.7277  180.900   4.3075 -4.278442 6.395719 
1 1 1    8   14    3 o  344.752   3.4464  7554.60  150.835  7421.75  214.870  7683.66  211.789  341.759   4.9508  347.745   4.7958 -5.985809 6.892804 
1 1 1    8   14    4 o  282.962   3.9977  5062.81  136.115  5007.25  167.126  5172.27  234.581  280.716   4.6881  285.208   6.4767 -4.492920 7.995391 
1 1 1    8   14    5 o  577.674   6.0617 20796.40  405.725 22348.17  759.198 20176.05  480.021  592.130   10.096  563.219   6.7113 28.91113 12.12336 
1 1 1    8   14    6 o  362.714   3.5251  8363.29  162.352  8220.80  229.829  8505.21  229.372  359.626   5.0324  365.802   4.9376 -6.175232 7.050189 
1 1 1    8   14    7 o  216.150   3.1010  2955.67   84.761  3110.33  126.975  2831.36  113.839  221.222   4.5197  211.079   4.2469 10.14256 6.201916 
1 1 1    8   14    8 o  149.143   3.3363  1415.30   62.720  1402.25   94.411  1425.61   83.914  148.517   5.0057  149.770   4.4120 -1.252182 6.672524 
1 1 1    8   14    9 o   76.594   4.7912  359.396   45.434  498.430   71.755  266.351   58.700   88.506   6.3841   64.682   7.1462 23.82415 9.582481 
1 1 1    8   14   10 o  255.350   3.9861  4228.06  119.566  4369.38  145.249  3931.01  210.583  262.186   4.3624  248.513   6.6726 13.67313 7.972116 
1 1 1    8   14   11 o   76.333   7.2547  346.139   58.233  327.487   65.163  420.114  129.770   71.707   7.1558   80.959   12.622 -9.251877 14.50933 
1 1 1    8   14   12 o  490.845   5.0158 15480.85  273.626 15626.29  318.504 15071.07  534.619  495.674   5.0599  486.015   8.6620 9.658203 10.03157 
1 1 1    8   14   13 o  214.172   3.8577  2862.85   83.309  2827.77   92.648  3011.03  190.406  210.943   3.4585  217.400   6.8967 -6.456802 7.715331 
1 1 1    8   14   14 o  119.984   7.4231  933.542  111.534  829.294  166.065  1019.21  150.540  113.703   11.501  126.266   9.3884 -12.56217 14.84618 
1 1 1    8   14   15 o  104.262   8.4765  694.724  111.484  732.833  169.388  665.602  148.077  106.714   12.499  101.810   11.453 4.904106 16.95302 
1 1 1    8   14   16 o  310.832   5.1986  6109.91  203.743  6633.22  311.377  5718.10  269.427  322.305   7.6075  299.359   7.0871 22.94653 10.39717 
1 1 1    8   14   17 o  246.741   5.4413  3912.28  169.085  3694.33  251.719  4091.47  228.245  240.327   8.2477  253.154   7.0997 -12.82727 10.88258 
1 1 1    8   14   18 o  106.698   11.485  791.955  143.801  556.941  214.982  982.245  193.448   90.118   19.362  123.277   12.357 -33.15952 22.96913 
1 1 1    8   14   19 o  459.801   6.2322 13564.21  363.667 13459.16  522.714 13662.77  506.284  457.983   8.9875  461.619   8.6364 -3.636414 12.46443 
1 1 1    8   14   20 o  261.428   5.4491  4386.19  180.109  4269.27  265.471  4485.90  245.165  258.076   8.1001  264.780   7.2911 -6.703369 10.89830 
1 1 1    8   14   21 o  233.387   5.7355  3503.37  169.685  3359.21  243.932  3638.53  236.195  228.633   8.4014  238.141   7.8101 -9.508698 11.47093 
1 1 1    8   14   22 o   87.961   11.832  528.840  126.672  589.802  191.845  481.719  168.667   92.419   16.971   83.503   16.491 8.916359 23.66375 
1 1 1    8   14   23 o   98.201   10.366  631.301  124.222  822.359  196.732  504.617  160.196  110.961   13.961   85.441   15.327 25.51991 20.73278 
1 1 1    8   16    0 o  237.100   3.2220  3581.02   96.789  3435.54  139.909  3714.55  134.041  232.461   4.7393  241.740   4.3663 -9.278198 6.444039 
1 1 1    8   16    1 o   51.319   8.4311  181.733   57.987   79.182   87.357  262.510   77.530   38.504   13.918   64.135   9.5192 -25.63039 16.86216 
1 1 1    8   16    2 o  266.021   3.2610  4479.56  109.548  4674.31  165.258  4326.90  146.314  271.143   4.7994  260.899   4.4161 10.24445 6.521948 
1 1 1    8   16    3 o  523.703   4.5244 17454.34  300.883 17197.62  422.836 17717.67  428.241  519.802   6.4056  527.605   6.3915 -7.803650 9.048876 
1 1 1    8   16    4 o  199.125   3.2748  2528.10   82.386  2443.07  121.691  2600.06  111.941  196.011   4.8888  202.240   4.3586 -6.229523 6.549611 
1 1 1    8   16    5 o  164.719   3.6601  1750.73   75.405  1530.62  112.135  1932.42  101.878  155.102   5.6931  174.337   4.6017 -19.23439 7.320263 
1 1 1    8   16    6 o  130.818   3.9408  1087.71   65.124  1099.70   97.458  1078.03   87.537  131.456   5.8379  130.180   5.2950 1.276276 7.881548 
1 1 1    8   16    7 o   93.488   11.283  559.791  133.954   0.0000   0.0000  559.791  133.954  ?   ?    93.488   11.283      ?      ? 
1 1 1    8   16    8 o  176.960   3.3722  2002.77   75.228  1882.14  111.304  2104.22  102.071  172.006   5.0955  181.914   4.4183 -9.907242 6.744328 
1 1 1    8   16    9 o   94.503   4.7821  555.247   56.689  677.183   88.483  470.346   73.833  103.090   6.7587   85.915   6.7671 17.17475 9.564196 
1 1 1    8   16   10 o  311.685   3.3733  6182.52  133.455  6086.20  190.786  6274.81  186.747  309.297   4.8573  314.074   4.6821 -4.777649 6.746532 
1 1 1    8   16   11 o  138.074   5.1178  1155.33   77.657  1099.37   88.687  1339.25  160.788  131.415   5.3142  144.732   8.7480 -13.31676 10.23568 
1 1 1    8   16   12 o   59.074   10.208  237.773   64.913  246.375   72.115  201.044  149.010   62.035   9.1540   56.112   18.249 5.923115 20.41642 
1 1 1    8   16   13 o  144.483   4.9760  1324.94   74.836  1319.31   84.326  1345.82  162.374  143.981   4.6119  144.984   8.8189 -1.003281 9.952047 
1 1 1    8   16   14 o   25.368   8.9752 -228.9157   77.369 -233.7853   86.317 -209.0159  174.492   18.125   9.0585   32.610   15.497 -14.48516 17.95041 
1 1 1    8   16   15 f  469.646   6.5417 13824.98  384.256 16072.18  611.734 12360.48  493.841  500.226   9.6298  439.066   8.8569 61.16025 13.08349 
1 1 1    8   16   16 o  136.316   8.6582  1257.07  142.483  861.686  209.180  1599.30  194.612  114.922   14.333  157.711   9.7170 -42.78880 17.31637 
1 1 1    8   16   17 o  193.577   6.1139  2393.63  149.559  2522.19  225.044  2291.94  200.154  198.135   8.9439  189.019   8.3383 9.115814 12.22789 
1 1 1    8   16   18 o   49.880   13.938  107.788  129.803  104.606  196.965  110.230  172.581   50.707   20.255   49.052   19.154 1.654579 27.87667 
1 1 1    8   16   19 o  233.673   5.9356  3529.14  174.358  3420.83  263.724  3613.24  232.396  230.222   9.0204  237.123   7.7175 -6.900940 11.87129 
1 1 1    8   16   20 o  161.542   9.0841  1691.15  186.356   0.0000   0.0000  1691.15  186.356  ?   ?   161.542   9.0841      ?      ? 
1 1 1    8   18    0 o  380.460   3.7563  9214.60  181.374  9210.65  261.152  9218.27  252.092  380.364   5.4065  380.556   5.2163 -0.1919250 7.512656 
1 1 1    8   18    1 o   57.839   9.0631  225.183   64.327  212.192   98.333  234.902   85.050   56.223   13.860   59.455   11.681 -3.231030 18.12621 
1 1 1    8   18    2 o  116.764   5.1138  888.377   73.896  770.243  113.435  975.470   97.398  109.803   8.1350  123.726   6.1989 -13.92356 10.22760 
1 1 1    8   18    3 o   86.054   6.1070  477.972   65.142  451.859  102.485  495.674   84.380   83.991   9.6084   88.116   7.5406 -4.125084 12.21403 
1 1 1    8   18    4 o  299.654   4.1487  5697.34  147.993  5787.73  260.157  5654.09  179.946  301.231   6.8008  298.077   4.7537 3.154449 8.297487 
1 1 1    8   18    5 o  278.103   3.4262  4918.60  120.701  4976.93  177.544  4868.48  164.586  279.613   5.0000  276.593   4.6857 3.020538 6.852422 
1 1 1    8   18    6 o  195.766   3.6546  2448.91   90.114  2367.83  135.149  2513.82  120.915  192.800   5.5199  198.733   4.7911 -5.933029 7.309138 
1 1 1    8   18    7 o  345.463   3.5960  7603.47  157.673  7429.93  225.070  7770.71  220.953  341.571   5.1887  349.356   4.9803 -7.785767 7.192072 
1 1 1    8   18    8 o  149.025   4.2844  1416.00   80.136  1416.20  123.070  1415.84  105.588  148.987   6.5047  149.062   5.5779 -0.7548523E-01 8.568767 
1 1 1    8   18    9 o   50.710   16.434  164.396  120.891  164.396  120.891   0.0000   0.0000   50.710   16.434  ?   ?       ?      ? 
1 1 1    8   18   10 o  281.309   4.9744  5040.59  177.705   0.0000   0.0000  5040.59  177.705  ?   ?   281.309   4.9744      ?      ? 
1 1 1    8   18   11 o  155.314   3.9307  1508.64   76.476  1714.60  120.828  1370.98   98.780  163.961   5.8030  146.667   5.3035 17.29367 7.861393 
1 1 1    8   18   12 o  220.948   4.5800  3169.63  119.886  3267.92  146.635  2971.48  208.203  226.447   5.0991  215.449   7.6096 10.99773 9.160089 
1 1 1    8   18   13 o  190.933   4.7697  2266.39  100.598  2202.87  115.697  2463.22  203.667  185.916   4.9003  195.950   8.1846 -10.03348 9.539455 
1 1 1    8   18   14 o  133.163   5.8936  1076.85   78.632  1039.83   86.881  1244.51  184.881  127.651   5.3595  138.674   10.498 -11.02355 11.78721 
1 1 1    8   18   15 o  149.470   5.1123  1137.98   69.616  1031.33   74.303  1904.24  199.171  127.179   4.6006  171.761   9.1311 -44.58209 10.22459 
1 1 1    8   18   16 o  160.166   7.8104  1674.02  156.094  1683.56  244.634  1667.47  202.724  160.136   12.030  160.196   9.9650 -0.6036377E-01 15.62086 
1 1 1    8   20    0 o  115.076   5.9988  848.197   87.391  861.379  129.215  837.083  118.641  115.858   8.7823  114.293   8.1740 1.565216 11.99763 
1 1 1    8   20    1 o   97.209   7.1780  609.567   87.896  600.602  132.430  616.625  117.512   96.478   10.809   97.941   9.4480 -1.463028 14.35607 
1 1 1    8   20    2 o  267.178   3.7401  4554.77  126.711  4459.92  183.145  4641.86  175.493  264.475   5.4530  269.882   5.1205 -5.406891 7.480234 
1 1 1    8   20    3 o  268.311   5.4350  4590.50  185.189  4590.50  185.189   0.0000   0.0000  268.311   5.4350  ?   ?       ?      ? 
1 1 1    8   20    4 o  456.160   4.2640 13253.46  246.573 13762.45  361.926 12812.59  336.837  464.270   6.1386  448.049   5.9199 16.22125 8.528088 
1 1 1    8   20    5 o  269.050   3.6432  4608.42  124.027  4690.71  184.094  4540.02  167.835  271.205   5.3452  266.896   4.9518 4.309601 7.286373 
1 1 1    8   20    6 o   86.918   7.3333  508.765   77.356  366.082  115.057  626.466  104.500   75.056   12.071   98.779   8.3305 -23.72298 14.66662 
1 1 1    8   20    7 f  288.382   4.2226  5339.03  148.450  5217.79  245.837  5408.61  186.240  285.540   6.7796  291.224   5.0358 -5.684692 8.445218 
1 1 1    8   20    8 o  148.001   4.6054  1406.65   84.878  1376.17  133.043  1427.58  110.223  146.526   7.1499  149.477   5.8066 -2.951019 9.210723 
1 1 1    8   20    9 o  201.430   3.7210  2581.26   94.930  2712.72  140.600  2471.12  128.691  206.103   5.3718  196.757   5.1504 9.346603 7.441988 
1 1 1    8   20   10 o  148.218   4.3409  1419.63   80.598  1314.39  121.766  1501.68  107.524  143.167   6.6974  153.269   5.5242 -10.10161 8.681722 
1 1 1    8   20   11 o  107.668   5.2438  726.110   70.724  888.368  111.337  616.350   91.571  117.471   7.4633   97.864   7.3681 19.60704 10.48762 
1 1 1    8   20   12 o  185.929   5.6553  2249.87  126.940  2285.12  157.635  2184.85  214.098  188.549   6.5834  183.308   9.1972 5.240616 11.31058 
1 1 1    8   20   13 o  170.672   5.6439  1868.88  122.326  1868.88  122.326   0.0000   0.0000  170.672   5.6439  ?   ?       ?      ? 
1 1 1    8   22    0 o   45.547   11.341  126.113   85.558   52.930  129.775  182.377  113.790   39.670   16.223   51.423   15.852 -11.75359 22.68199 
1 1 1    8   22    1 o   91.133   7.7112  532.993   86.082  596.339  145.074  498.569  106.944   94.866   12.042   87.400   9.6353 7.465546 15.42239 
1 1 1    8   22    2 o  251.217   3.8754  4045.91  122.292  4033.06  187.031  4055.50  161.629  250.697   5.8747  251.736   5.0559 -1.039597 7.750759 
1 1 1    8   22    3 o  146.968   5.2476  1406.73   95.414  1343.10  151.217  1448.82  122.988  143.876   8.2763  150.061   6.4538 -6.185410 10.49519 
1 1 1    8   22    4 o  114.166   6.4068  859.983   89.553  810.920  145.042  890.209  113.843  111.065   10.283  117.267   7.6446 -6.201538 12.81366 
1 1 1    8   22    5 f   39.481   11.186   66.313   81.914   67.679  140.505   65.609  100.821   41.591   16.929   37.370   14.627 4.220745 22.37283 
1 1 1    8   22    6 o  138.002   5.9493  1245.91   99.984  1225.63  165.925  1257.47  125.286  136.591   9.5656  139.413   7.0765 -2.821671 11.89862 
1 1 1    8   22    7 o   74.461   10.013  302.583  100.790  834.596  176.518   45.226  122.771  111.168   12.504   37.754   15.644 73.41357 20.02670 
1 1 1    8   22    8 o  190.380   7.4348  2638.73  161.679  1642.06  255.463  3304.68  208.821  155.226   12.959  225.534   7.2909 -70.30807 14.86958 
1 1 1    8   22    9 o   36.607   11.341 -151.1297  123.678 -511.3263  186.010  134.291  165.581   25.425   12.789   47.789   18.733 -22.36370 22.68266 
1 1 1    8   22   10 o  121.888   10.575  998.399  163.689  998.399  163.689   0.0000   0.0000  121.888   10.575  ?   ?       ?      ? 
1 1 1    8   24    0 o   74.347   10.460  396.128   92.984  503.702  153.933  334.326  116.675   81.656   15.409   67.039   14.149 14.61704 20.92021 
1 1 1    8   24    1 o   74.837   10.266  404.512   92.620  500.973  148.213  342.707  118.638   81.877   14.799   67.797   14.233 14.07979 20.53269 
1 1 1    8   24    2 o  133.104   5.9528  1193.61   98.495  1124.56  152.948  1242.54  128.744  129.033   9.3339  137.174   7.3905 -8.141129 11.90556 
1 1 1    8   24    3 o   82.703   11.653  616.221  108.543  336.365  199.556  733.804  129.351   61.590   21.140  103.816   9.8113 -42.22541 23.30551 
1 1 1    8   24    4 o   43.189   13.104   54.346  126.519  201.496  209.237 -30.4638  158.848   51.250   20.732   35.127   16.032 16.12242 26.20794 
1 1 1    8   24    5 o   54.671   14.146  235.365  129.013  368.305  203.786  146.444  166.665   63.307   21.366   46.035   18.545 17.27240 28.29159 
1 1 1    9    1    0 o  392.891   3.4658  9789.08  172.767 10139.66  250.962  9473.26  238.197  399.567   4.9458  386.215   4.8566 13.35190 6.931632 
1 1 1    9    1    1 o  933.149   7.3642 55139.04  870.181 57985.90  1290.99 52768.69  1178.00  955.119   10.644  911.180   10.180 43.93951 14.72840 
1 1 1    9    1    2 o  321.568   3.0077  6566.78  122.821  6527.31  173.001  6606.90  174.397  320.594   4.2493  322.542   4.2577 -1.948395 6.015350 
1 1 1    9    1    3 o  584.072   4.7910 21630.61  354.888 22434.69  518.434 20921.58  486.829  594.263   6.8697  573.881   6.6800 20.38214 9.582016 
1 1 1    9    1    4 o  1055.41   16.601 70953.41  2225.03   0.0000   0.0000 70953.41  2225.03  ?   ?   1055.41   16.601      ?      ? 
1 1 1    9    1    5 o  572.405   4.7163 20813.62  342.803 20989.72  488.830 20643.20  480.862  574.786   6.6969  570.024   6.6428 4.761658 9.432657 
1 1 1    9    1    6 o  572.926   4.7229 20796.63  342.953 21750.49  504.592 19977.71  467.541  585.096   6.7910  560.756   6.5655 24.33978 9.445844 
1 1 1    9    1    7 o   78.068   2.8240  387.144   27.989  382.948   39.915  391.203   39.258   77.651   4.0477   78.484   3.9389 -0.8328857 5.647913 
1 1 1    9    1    8 f  756.861   6.0666 36393.90  582.942 36932.55  836.102 35884.38  813.185  762.304   8.6368  751.418   8.5218 10.88605 12.13322 
1 1 1    9    1    9 o  671.389   5.4398 28641.57  463.802 28585.37  654.716 28698.18  657.122  670.728   7.6865  672.050   7.6996 -1.321350 10.87961 
1 1 1    9    1   10 o  188.107   2.4741  2247.27   59.096  2217.49   83.700  2276.88   83.448  186.865   3.5271  189.350   3.4703 -2.485901 4.948130 
1 1 1    9    1   11 o  642.146   5.2280 26164.92  425.936 25458.95  587.239 26948.62  618.721  633.022   7.3050  651.269   7.4809 -18.24738 10.45596 
1 1 1    9    1   12 o  302.123   2.9892  5796.68  114.686  5755.44  161.572  5838.56  162.816  301.040   4.2263  303.206   4.2285 -2.165802 5.978452 
1 1 1    9    1   13 o  270.988   2.8652  4658.69   98.538  4438.26  137.069  4894.45  141.757  264.361   4.0828  277.616   4.0209 -13.25479 5.730380 
1 1 1    9    1   14 o  862.657   8.4279 47132.13  865.858 47822.74  1520.75 46800.86  1053.24  867.135   13.810  858.180   9.6644 8.954834 16.85574 
1 1 1    9    1   15 o  547.085   4.6170 19011.47  320.766 19066.46  455.001 18957.14  452.274  547.871   6.5397  546.299   6.5192 1.572388 9.234017 
1 1 1    9    1   16 o  761.456   8.6772 36842.46  839.078   0.0000   0.0000 36842.46  839.078  ?   ?   761.456   8.6772      ?      ? 
1 1 1    9    1   17 o  272.449   3.0758  4708.78  106.353  4499.85  147.747  4933.45  153.213  266.184   4.3708  278.714   4.3287 -12.53012 6.151560 
1 1 1    9    1   18 o  449.991   3.9643 12860.13  226.504 13035.29  323.837 12692.36  316.925  452.989   5.6294  446.992   5.5831 5.996735 7.928526 
1 1 1    9    1   19 o  428.215   3.8539 11648.42  209.531 11840.47  300.091 11465.73  292.691  431.656   5.4744  424.774   5.4259 6.882660 7.707775 
1 1 1    9    1   20 o   98.242   5.2520  604.140   63.378  576.438   79.249  653.297  105.569   95.194   6.5555  101.289   8.2072 -6.095711 10.50397 
1 1 1    9    1   21 o  262.693   3.1095  4387.69  103.689  4300.14  147.752  4472.64  145.550  260.106   4.4731  265.280   4.3205 -5.174561 6.218903 
1 1 1    9    1   22 o  215.497   3.0984  2952.18   84.751  2945.61  121.710  2958.36  118.083  215.260   4.4523  215.733   4.3102 -0.4731445 6.196817 
1 1 1    9    1   23 o  164.806   3.3764  1731.47   70.484  1610.53  100.586  1848.16   98.796  159.127   4.9776  170.486   4.5632 -11.35866 6.752725 
1 1 1    9    1   24 o   98.565   4.7444  619.361   58.790  508.603   81.359  740.388   85.047   89.314   7.1731  107.816   6.2115 -18.50204 9.488743 
1 1 1    9    1   25 o  165.835   3.7014  1750.34   77.940  1783.34  111.403  1718.70  109.080  167.365   5.2415  164.305   5.2278 3.059921 7.402899 
1 1 1    9    1   26 o  150.531   4.3750  1444.84   83.608  1396.55  117.570  1494.26  118.922  147.979   6.2563  153.083   6.1173 -5.104263 8.749993 
1 1 1    9    1   27 o  200.671   3.9820  2567.15  101.403  2558.81  140.625  2576.18  146.357  200.347   5.5272  200.996   5.7339 -0.6486053 7.964091 
1 1 1    9    1   28 o  147.407   4.3837  1385.08   81.711  1216.24  112.958  1570.41  118.344  137.967   6.4471  156.847   5.9414 -18.87997 8.767308 
1 1 1    9    1   29 o  229.596   3.6489  3363.89  106.380  3315.74  149.287  3413.55  151.630  227.928   5.1576  231.264   5.1630 -3.335999 7.297712 
1 1 1    9    1   30 o  113.958   5.5075  842.476   78.883  702.615  111.142  984.451  111.979  104.227   8.3969  123.688   7.1290 -19.46146 11.01502 
1 1 1    9    1   31 o  148.957   4.7541  1431.03   89.839  1463.07  130.541  1402.19  123.828  150.501   6.8301  147.414   6.6146 3.086929 9.508105 
1 1 1    9    1   32 o   67.964   9.8854  322.127   83.942  415.706  125.944  247.328  112.599   77.817   12.745   58.111   15.115 19.70579 19.77089 
1 1 1    9    1   33 o   47.478   11.721  175.406   89.202  -0.5399  206.865  215.594   98.866   41.231   18.609   53.725   14.255 -12.49414 23.44175 
1 1 1    9    3    0 o  976.417   7.6995 60613.18  954.703 60464.15  1346.42 60763.88  1353.92  975.212   10.872  977.622   10.905 -2.410278 15.39891 
1 1 1    9    3    1 o  213.765   2.5575  2902.68   69.400  2994.43   98.124  2810.85   98.169  217.146   3.5583  210.384   3.6744 6.762329 5.114945 
1 1 1    9    3    2 o  1039.29   10.011 68885.13  1249.02 69178.50  1535.69 68311.82  2146.77  1042.97   11.595  1035.61   16.323 7.352417 20.02220 
1 1 1    9    3    3 o  400.446   3.5381 10125.78  179.291 10892.84  267.650  9501.40  241.477  414.121   5.0893  386.772   4.9163 27.34888 7.076145 
1 1 1    9    3    4 o  594.621   4.8814 22359.69  367.398 23722.61  547.179 21240.82  495.776  611.036   7.0516  578.206   6.7519 32.82953 9.762805 
1 1 1    9    3    5 o  448.488   3.8575 12772.23  219.647 12576.00  306.559 12979.22  314.864  444.951   5.4253  452.026   5.4851 -7.074951 7.714912 
1 1 1    9    3    6 o  652.408   5.3020 27042.93  439.233 27291.39  626.439 26802.66  616.029  655.354   7.5271  649.463   7.4691 5.890869 10.60398 
1 1 1    9    3    7 o  798.975   6.3845 40553.60  647.542 41297.72  931.775 39858.52  900.547  806.053   9.1027  791.896   8.9549 14.15649 12.76907 
1 1 1    9    3    8 o  1052.71   11.728 70530.80  1566.66 72255.51  2268.51 68958.13  2166.22  1064.96   16.774  1040.45   16.395 24.50562 23.45512 
1 1 1    9    3    9 o  340.895   3.1707  7377.08  137.225  7241.27  191.271  7521.13  196.984  337.664   4.4605  344.126   4.5075 -6.462250 6.341455 
1 1 1    9    3   10 o  606.423   4.9794 23359.62  383.422 23121.29  537.263 23607.00  547.358  603.273   7.0129  609.574   7.0708 -6.300903 9.958731 
1 1 1    9    3   11 o  505.355   4.2699 16222.28  274.026 16173.66  387.355 16270.99  387.706  504.596   6.0449  506.113   6.0322 -1.516449 8.539814 
1 1 1    9    3   12 f  149.356   2.6030  1417.17   49.328  1345.49   69.583  1489.59   69.940  145.558   3.7644  153.155   3.5960 -7.597168 5.205901 
1 1 1    9    3   13 o  887.362   9.9790 50042.56  1124.51 50042.56  1124.51   0.0000   0.0000  887.362   9.9790  ?   ?       ?      ? 
1 1 1    9    3   14 o  642.728   5.2767 26237.85  430.623 25925.82  602.615 26563.44  615.578  638.826   7.4281  646.631   7.4963 -7.804932 10.55331 
1 1 1    9    3   15 o  403.390   5.2584 10334.99  269.375 10334.99  269.375   0.0000   0.0000  403.390   5.2584  ?   ?       ?      ? 
1 1 1    9    3   16 o  720.960   7.1422 33015.89  616.759 33103.24  1068.01 32972.18  755.459  721.554   11.655  720.366   8.2581 1.188049 14.28449 
1 1 1    9    3   17 o  763.421   6.1518 37038.82  596.404 37086.30  844.743 36991.64  842.148  763.908   8.7077  762.934   8.6921 0.9742432 12.30354 
1 1 1    9    3   18 o  126.725   4.6479  1020.11   74.799  1020.11   74.799   0.0000   0.0000  126.725   4.6479  ?   ?       ?      ? 
1 1 1    9    3   19 o  577.465   4.8300 21190.48  354.035 20710.08  491.472 21708.65  510.429  570.673   6.7816  584.256   6.8795 -13.58319 9.660089 
1 1 1    9    3   20 o  231.120   3.0191  3394.70   88.581  3390.01  126.907  3399.15  123.698  230.962   4.3268  231.278   4.2116 -0.3165436 6.038140 
1 1 1    9    3   21 o  125.412   3.5091  996.939   55.731  1108.50   81.084  897.046   76.728  132.046   4.8354  118.778   5.0867 13.26772 7.018268 
1 1 1    9    3   22 o   90.903   4.5351  526.770   52.274  554.265   73.428  498.516   74.435   93.319   6.1960   88.486   6.6241 4.832489 9.070230 
1 1 1    9    3   23 o   61.909   6.8838  248.258   51.514  179.262   70.032  329.610   76.044   51.949   10.960   71.870   8.3318 -19.92128 13.76752 
1 1 1    9    3   24 o  256.205   3.2143  4174.34  104.561  4221.71  149.646  4129.15  146.160  257.622   4.5741  254.788   4.5172 2.834335 6.428648 
1 1 1    9    3   25 o  392.903   3.8013  9807.69  189.370  9434.13  259.089 10236.16  277.473  384.905   5.3005  400.900   5.4501 -15.99460 7.602587 
1 1 1    9    3   26 o  258.192   3.5939  4222.02  117.505  3859.60  159.692  4649.95  173.523  246.172   5.1082  270.212   5.0568 -24.04018 7.187818 
1 1 1    9    3   27 o   56.066   9.4767  212.229   66.657  231.983   94.992  193.066   93.560   58.665   13.084   53.467   13.713 5.198341 18.95337 
1 1 1    9    3   28 o  236.235   4.7490  3532.52  121.345  3639.95  250.225  3499.49  138.753  238.117   8.2749  234.352   4.6622 3.764938 9.497920 
1 1 1    9    3   29 o   46.359   11.709  133.274   90.279 -107.6520  209.122  188.461  100.086   40.220   18.371   52.499   14.523 -12.27930 23.41795 
1 1 1    9    3   30 o  155.797   6.1069  1531.46  100.053  1652.60  216.525  1498.57  112.820  158.710   10.743  152.884   5.8110 5.826324 12.21389 
1 1 1    9    3   31 o   65.390   13.685  187.732  107.265  630.643  252.105   89.827  118.529   89.605   22.256   41.174   15.930 48.43074 27.36907 
1 1 1    9    3   32 o   31.530   10.653 -229.3410  110.703  -5.0096  188.847 -346.7889  136.643   40.499   18.068   22.560   11.293 17.93931 21.30685 
1 1 1    9    3   33 o   45.202   12.987  122.451  120.574   24.834  197.902  180.077  152.053   41.395   18.479   49.009   18.252 -7.614311 25.97376 
1 1 1    9    5    0 o  293.136   3.3980  5122.65  106.013  4867.87  119.267  6081.64  231.393  276.861   3.3922  309.411   5.8889 -32.54968 6.796051 
1 1 1    9    5    1 o  464.425   4.6355 13415.46  231.293 13172.10  263.028 14245.37  485.730  455.401   4.5481  473.449   8.0788 -18.04852 9.271001 
1 1 1    9    5    2 o  291.489   3.5641  5472.49  124.731  5639.24  154.446  5159.74  211.508  297.981   4.0814  284.998   5.8440 12.98318 7.128113 
1 1 1    9    5    3 o  645.711   6.1420 25720.19  419.633 25117.51  473.597 27921.92  905.206  628.801   5.9309  662.622   10.757 -33.82068 12.28394 
1 1 1    9    5    4 o  1120.49   8.8081 79834.20  1252.76 78477.25  1740.15 81294.13  1804.98  1110.64   12.338  1130.35   12.574 -19.71423 17.61622 
1 1 1    9    5    5 o  395.094   3.5540  9910.54  178.277 10179.33  255.049  9653.73  249.293  400.331   5.0168  389.858   5.0353 10.47272 7.107927 
1 1 1    9    5    6 o  258.242   2.7760  4180.70   90.318  3820.96  118.928  4670.89  138.826  245.287   3.8180  271.196   4.0310 -25.90916 5.552078 
1 1 1    9    5    7 f  1627.66   17.977 169408.30  3714.89 171743.09  5325.89 167196.00  5184.26  1638.49   25.596  1616.82   25.249 21.67395 35.95377 
1 1 1    9    5    8 o  498.843   4.2529 15791.03  269.241 16240.58  389.433 15379.39  372.651  505.636   6.0648  492.051   5.9637 13.58557 8.505730 
1 1 1    9    5    9 o  423.547   5.3099 11394.22  285.603 11394.22  285.603   0.0000   0.0000  423.547   5.3099  ?   ?       ?      ? 
1 1 1    9    5   10 o  1140.28   12.675 82840.76  1835.36 82705.75  2591.61 82976.59  2599.58  1139.35   17.912  1141.21   17.937 -1.858398 25.34902 
1 1 1    9    5   11 o  325.540   3.1771  6710.05  131.120  7080.16  192.470  6389.53  179.113  333.890   4.5392  317.189   4.4466 16.70111 6.354284 
1 1 1    9    5   12 o  697.814   5.7361 30915.67  508.041 30320.89  704.645 31559.55  733.161  690.833   8.0319  704.795   8.1914 -13.96149 11.47218 
1 1 1    9    5   13 o  644.756   5.3469 26402.32  437.718 26783.34  626.585 26039.15  611.735  649.296   7.5991  640.215   7.5242 9.080688 10.69387 
1 1 1    9    5   14 f  807.705   6.5371 41431.15  670.206 40644.06  930.656 42279.08  965.958  799.747   9.1634  815.663   9.3255 -15.91595 13.07413 
1 1 1    9    5   15 o  871.487   6.9939 48252.75  773.803 49005.70  1110.74 47542.73  1078.61  878.084   9.9609  864.890   9.8204 13.19421 13.98782 
1 1 1    9    5   16 o  156.361   2.8839  1550.67   57.211  1646.89   82.443  1461.30   79.457  161.034   4.0314  151.689   4.1248 9.345520 5.767705 
1 1 1    9    5   17 o  422.942   3.8027 11362.17  204.230 11205.76  286.830 11523.02  290.862  419.990   5.3778  425.894   5.3778 -5.904053 7.605415 
1 1 1    9    5   18 o  209.114   3.1753  2782.29   82.266  2760.09  131.419  2796.59  105.492  208.413   4.9654  209.816   3.9592 -1.402466 6.350615 
1 1 1    9    5   19 o  363.918   4.2161  8340.44  164.706  8576.38  343.573  8270.04  187.677  367.075   7.3703  360.760   4.0965 6.315521 8.432274 
1 1 1    9    5   20 o  422.267   4.5842 11303.75  209.748 11428.13  429.819 11264.88  240.303  423.550   7.9910  420.983   4.4949 2.567108 9.168447 
1 1 1    9    5   21 o  206.898   4.2115  2768.00   95.182  2636.80  189.839  2812.06  110.009  203.457   7.3474  210.339   4.1184 -6.882355 8.422926 
1 1 1    9    5   22 o  109.619   6.7832  860.784   65.832  641.633  161.280  904.598   72.113   99.973   12.703  119.266   4.7612 -19.29320 13.56634 
1 1 1    9    5   23 o  194.370   4.5640  2406.64   87.195  2407.25  203.441  2406.51   96.508  194.179   8.2501  194.560   3.9060 -0.3807220 9.128010 
1 1 1    9    5   24 o  206.281   4.7305  2751.91   95.472  2653.16  221.939  2774.33  105.757  203.692   8.5799  208.869   3.9871 -5.176392 9.461052 
1 1 1    9    5   25 o  241.673   4.5526  3697.77  122.139  3783.41  242.021  3668.51  141.476  243.270   7.8341  240.077   4.6404 3.192657 9.105282 
1 1 1    9    5   26 o   49.913   12.836   85.754   94.615  265.947  197.111   31.806  107.852   63.814   21.000   36.013   14.765 27.80094 25.67161 
1 1 1    9    5   27 f   77.003   10.859  405.114   77.116  381.808  193.615  409.508   84.072   74.100   20.076   79.905   8.2851 -5.805481 21.71878 
1 1 1    9    5   28 o  226.193   4.7616  3088.99  108.474  3591.42  253.837  2976.74  119.980  236.252   8.4606  216.134   4.3713 20.11833 9.523130 
1 1 1    9    5   29 o   63.176   12.416  251.618   78.551  310.829  216.409  242.633   84.300   66.431   22.011   59.921   11.496 6.510014 24.83278 
1 1 1    9    5   30 o   59.850   12.051  235.425   78.181  283.199  193.689  226.126   85.452   62.424   20.831   57.276   12.126 5.147564 24.10291 
1 1 1    9    5   31 o  124.982   11.520  1234.56  151.624  807.240  260.051  1454.66  186.629  101.943   20.792  148.022   9.9284 -46.07863 23.04078 
1 1 1    9    5   32 o   43.554   12.488  100.823  111.585 -48.4721  207.683  161.411  132.304   39.611   18.173   47.498   17.135 -7.886795 24.97692 
1 1 1    9    5   33 o  103.824   11.291  820.991  130.141  841.252  239.097  812.461  155.134  100.047   19.520  107.601   11.353 -7.553726 22.58121 
1 1 1    9    7    0 o  566.754   4.6921 20386.27  337.479 19890.88  466.941 20928.03  488.310  559.555   6.5712  573.952   6.6995 -14.39709 9.384206 
1 1 1    9    7    1 o  305.638   3.5266  5865.90  119.978  5795.01  138.999  6073.06  237.610  302.079   3.6234  309.198   6.0513 -7.119690 7.053189 
1 1 1    9    7    2 o  175.299   3.0316  1944.39   60.560  1935.30   71.256  1968.05  114.923  174.572   3.2142  176.027   5.1411 -1.454681 6.063128 
1 1 1    9    7    3 o  467.243   4.9463 13881.11  278.256 13905.11  342.919 13834.87  476.102  467.876   5.7714  466.610   8.0347 1.266357 9.892695 
1 1 1    9    7    4 f  289.578   3.4637  5389.95  111.283  5459.33  129.509  5194.18  217.550  293.202   3.4782  285.955   5.9908 7.247101 6.927307 
1 1 1    9    7    5 o  936.120   8.6314 54765.71  867.490 53943.41  986.997 57557.86  1818.74  921.348   8.4356  950.892   15.061 -29.54431 17.26273 
1 1 1    9    7    6 o  712.191   6.6730 32012.17  518.062 31800.64  594.698 32677.93  1055.02  707.522   6.6188  716.860   11.589 -9.337708 13.34599 
1 1 1    9    7    7 o  616.160   5.8352 24396.56  401.473 24703.95  468.821 23551.25  777.440  623.630   5.9197  608.690   10.058 14.94061 11.67040 
1 1 1    9    7    8 o  658.265   6.2126 27701.15  454.647 27880.52  528.812 27192.82  890.221  662.503   6.2854  654.028   10.718 8.475830 12.42529 
1 1 1    9    7    9 o  729.711   6.9102 33608.72  560.783 33362.87  650.147 34323.18  1108.32  724.693   7.0645  734.728   11.878 -10.03516 13.82047 
1 1 1    9    7   10 o  370.823   5.0206  8735.31  236.417  8725.67  336.046  8744.75  332.668  370.620   7.1399  371.026   7.0604 -0.4068604 10.04128 
1 1 1    9    7   11 f  344.923   5.0370  7529.22  220.107  6857.08  301.838  8292.56  321.663  328.542   7.2345  361.304   7.0105 -32.76144 10.07398 
1 1 1    9    7   12 o  453.665   5.8719 13020.20  337.150 13736.00  502.308 12433.33  454.824  464.956   8.5071  442.374   8.0961 22.58246 11.74382 
1 1 1    9    7   13 o  661.888   7.7639 27815.06  651.947 28591.20  947.666 27117.69  898.297  670.633   11.127  653.143   10.830 17.48938 15.52774 
1 1 1    9    7   14 o  925.835   10.435 54547.55  1226.80 54104.32  1723.38 55002.89  1746.76  922.028   14.718  929.642   14.796 -7.613708 20.86978 
1 1 1    9    7   15 o  441.891   5.7228 12408.93  321.128 12218.18  452.603 12602.30  455.699  438.470   8.1283  445.312   8.0582 -6.842468 11.44567 
1 1 1    9    7   16 o  198.583   5.1157  2515.67  128.039  2428.98  191.397  2585.89  172.259  195.460   7.7108  201.706   6.7249 -6.245773 10.23135 
1 1 1    9    7   17 o  478.198   5.9907 14550.74  363.724 14205.76  508.601 14911.88  520.369  472.398   8.4779  483.998   8.4662 -11.59995 11.98134 
1 1 1    9    7   18 o  459.753   5.8881 13463.47  343.693 13499.96  491.871 13428.66  480.441  460.346   8.4137  459.159   8.2395 1.186523 11.77623 
1 1 1    9    7   19 o  336.964   5.0363  7229.55  215.384  7209.02  309.806  7248.76  299.646  336.485   7.2502  337.444   6.9924 -0.9587097 10.07269 
1 1 1    9    7   20 o  149.036   6.1324  1427.43  114.639  1340.27  173.232  1495.34  152.911  144.897   9.4143  153.174   7.8609 -8.277084 12.26476 
1 1 1    9    7   21 o  357.786   5.1634  8155.37  234.169  8205.22  342.228  8111.48  321.110  358.776   7.5113  356.797   7.0869 1.978943 10.32683 
1 1 1    9    7   22 o  362.036   5.2839  8362.44  242.821  8067.67  343.316  8657.51  343.485  355.621   7.6020  368.450   7.3409 -12.82874 10.56787 
1 1 1    9    7   23 o   83.963   10.086  472.066  102.012  422.836  159.139  506.407  132.912   79.214   16.361   88.713   11.798 -9.498749 20.17120 
1 1 1    9    7   24 o  187.228   5.5855  2251.04  131.575  2162.63  197.844  2321.14  176.183  183.820   8.4752  190.636   7.2775 -6.815552 11.17101 
1 1 1    9    7   25 o  161.120   7.2741  1732.89  143.150  1345.13  217.411  2029.65  190.197  144.257   11.868  177.984   8.4148 -33.72728 14.54827 
1 1 1    9    7   26 o  209.419   4.9612  2962.05  107.390  2532.11  224.617  3089.45  122.269  198.562   8.9077  220.277   4.3709 -21.71484 9.922338 
1 1 1    9    7   27 o  137.167   6.7561  1224.76   79.684  1199.58  216.989  1228.68   85.670  135.523   12.608  138.811   4.8599 -3.287781 13.51223 
1 1 1    9    7   28 o  135.410   7.2372  1319.96   68.771  1042.41  221.734  1349.50   72.338  125.298   13.935  145.523   3.9143 -20.22461 14.47441 
1 1 1    9    7   29 o   68.509   12.721  343.996  111.593  312.384  174.332  365.941  145.250   65.354   19.514   71.664   16.325 -6.310356 25.44225 
1 1 1    9    7   30 o  213.347   7.1092  3039.78  190.327  2838.59  285.805  3200.10  255.126  206.150   10.917  220.544   9.1092 -14.39400 14.21836 
1 1 1    9    7   31 o  165.818   7.2329  1867.45  148.130  1774.41  234.584  1929.15  191.035  161.139   11.464  170.498   8.8230 -9.358582 14.46579 
1 1 1    9    7   32 o  109.757   10.379  877.852  132.094  916.971  240.332  860.920  158.118  108.250   17.483  111.265   11.190 -3.014610 20.75735 
1 1 1    9    9    0 o   98.573   3.1205  621.230   38.799  564.824   56.465  671.686   53.404   94.304   4.7149  102.842   4.0891 -8.537819 6.241041 
1 1 1    9    9    1 o  322.946   3.1370  6623.84  128.651  6600.60  182.524  6646.79  181.361  322.383   4.4583  323.509   4.4145 -1.126587 6.274081 
1 1 1    9    9    2 o  345.676   3.2689  7587.90  143.457  7632.56  205.576  7545.51  200.286  346.666   4.6696  344.685   4.5756 1.980988 6.537716 
1 1 1    9    9    3 f  278.511   6.3053  4927.31  223.011  4927.31  223.011   0.0000   0.0000  278.511   6.3053  ?   ?       ?      ? 
1 1 1    9    9    4 o  449.982   4.8513 12723.61  257.793 12491.57  310.370 13239.84  462.933  443.475   5.5110  456.489   7.9856 -13.01385 9.702680 
1 1 1    9    9    5 o  910.783   8.3849 52375.22  832.814 52030.14  956.215 53459.37  1694.87  904.921   8.3208  916.645   14.560 -11.72382 16.76980 
1 1 1    9    9    6 o  399.933   4.2747 10104.17  187.157 10051.04  215.346 10268.19  378.376  397.829   4.2625  402.037   7.4111 -4.208221 8.549413 
1 1 1    9    9    7 o  1121.94   10.193 80132.19  1260.99 80194.26  1458.42 79948.37  2509.92  1123.31   10.224  1120.58   17.638 2.732666 20.38646 
1 1 1    9    9    8 o  569.437   5.5774 20454.10  345.678 20317.61  396.509 20886.42  705.678  565.589   5.5204  573.284   9.6930 -7.694458 11.15482 
1 1 1    9    9    9 o  873.643   8.1176 48242.03  776.145 47973.03  892.887 49073.67  1569.97  868.952   8.0914  878.335   14.075 -9.382996 16.23521 
1 1 1    9    9   10 o  448.242   4.7248 12536.45  228.698 12338.57  260.806 13194.98  475.773  440.772   4.6594  455.712   8.2211 -14.94061 9.449684 
1 1 1    9    9   11 o  574.656   6.9343 20986.43  505.952 21092.42  723.294 20884.87  707.999  576.072   9.8869  573.240   9.7257 2.832214 13.86864 
1 1 1    9    9   12 f  376.127   5.3182  8991.21  253.949  8837.45  361.565  9140.92  356.759  372.949   7.6341  379.306   7.4064 -6.356567 10.63649 
1 1 1    9    9   13 f  130.904   6.3823  1086.68  105.165  1108.89  160.418  1069.94  139.266  132.066   9.5650  129.744   8.4524 2.321884 12.76453 
1 1 1    9    9   14 o  446.104   5.7684 12657.07  326.731 12489.61  464.325 12821.30  459.841  443.173   8.2503  449.034   8.0640 -5.861237 11.53672 
1 1 1    9    9   15 o  139.501   6.0406  1233.77  106.789  1320.86  157.276  1159.26  145.460  144.048   8.5976  134.953   8.4876 9.094940 12.08129 
1 1 1    9    9   16 o  577.284   6.9513 21252.96  509.594 21212.32  722.753 21293.13  718.613  576.726   9.8683  577.843   9.7928 -1.116882 13.90263 
1 1 1    9    9   17 o  475.432   6.0610 14404.69  365.828 14454.86  524.254 14357.08  510.729  476.219   8.6688  474.646   8.4731 1.573181 12.12193 
1 1 1    9    9   18 o  241.117   4.9349  3682.28  150.480  3908.22  225.536  3500.99  202.022  247.730   7.1690  234.504   6.7838 13.22557 9.869877 
1 1 1    9    9   19 o  269.971   4.9482  4646.78  169.394  4558.17  244.934  4728.01  234.524  267.476   7.2109  272.467   6.7779 -4.991333 9.896310 
1 1 1    9    9   20 o  213.342   5.2452  2885.56  141.473  3068.90  212.508  2739.62  189.594  219.369   7.6282  207.316   7.2014 12.05339 10.49042 
1 1 1    9    9   21 o  104.542   8.2516  682.142  107.965  840.732  170.568  576.125  139.458  114.383   11.742   94.701   11.596 19.68197 16.50312 
1 1 1    9    9   22 o  229.811   5.4669  3384.85  158.484  3270.50  235.925  3478.88  213.943  226.173   8.2140  233.449   7.2165 -7.276840 10.93382 
1 1 1    9    9   23 o  348.135   5.3581  7744.27  236.410  7780.97  345.816  7712.07  323.925  348.839   7.8062  347.431   7.3417 1.408112 10.71626 
1 1 1    9    9   24 o  101.764   9.7120  681.649  121.117  641.737  195.692  706.430  154.200   98.971   15.570  104.557   11.613 -5.585968 19.42398 
1 1 1    9    9   25 o  182.331   5.8805  2157.93  134.440  1915.84  199.048  2361.01  182.306  172.636   9.0792  192.025   7.4759 -19.38919 11.76104 
1 1 1    9    9   26 o  153.601   7.7113  1573.61  145.165  1335.41  226.479  1739.72  189.122  142.942   12.476  164.260   9.0664 -21.31715 15.42268 
1 1 1    9    9   27 o   84.729   13.335  485.385  137.665  661.947  224.676  379.253  174.194   96.592   18.993   72.866   18.724 23.72639 26.67069 
1 1 1    9    9   28 o  106.724   10.287  777.527  136.450  754.851  213.684  793.139  177.307  104.624   16.083  108.823   12.830 -4.199730 20.57346 
1 1 1    9    9   29 o  241.796   6.6748  3777.58  201.359  4292.15  322.909  3450.18  257.571  254.429   9.9939  229.162   8.8507 25.26677 13.34965 
1 1 1    9    9   30 o   42.889   12.805   68.329  122.921 -67.5717  215.506  133.863  149.652   39.769   18.343   46.010   17.872 -6.241398 25.60955 
1 1 1    9    9   31 o   68.053   13.833  401.020  126.013  363.547  202.751  424.607  160.855   63.616   21.312   72.491   17.640 -8.875408 27.66565 
1 1 1    9   11    0 o  224.121   4.0534  3266.76  108.771  3438.17  135.169  2951.85  183.215  232.674   4.5746  215.568   6.6927 17.10623 8.106715 
1 1 1    9   11    1 o  677.849   5.5443 29167.61  477.011 28484.80  661.635 29906.66  688.348  669.597   7.7808  686.100   7.9003 -16.50256 11.08856 
1 1 1    9   11    2 o  756.057   6.1078 36276.30  585.898 37299.51  850.821 35353.49  808.006  766.179   8.7444  745.936   8.5297 20.24231 12.21561 
1 1 1    9   11    3 o  619.106   5.1397 24339.50  403.990 23927.70  563.663 24774.50  579.315  613.725   7.2322  624.488   7.3049 -10.76251 10.27938 
1 1 1    9   11    4 o  807.317   6.4913 41282.99  663.852 43240.35  981.545 39632.80  901.245  824.883   9.3700  789.750   8.9862 35.13342 12.98263 
1 1 1    9   11    5 o  1090.89   8.5906 75648.52  1189.83 76604.75  1704.73 74740.24  1661.44  1097.60   12.230  1084.18   12.067 13.41919 17.18129 
1 1 1    9   11    6 o  733.655   5.9499 34183.50  554.138 34779.68  796.927 33625.39  771.054  739.842   8.4821  727.469   8.3463 12.37274 11.89982 
1 1 1    9   11    7 o  487.721   4.9714 14998.25  266.522 14886.94  307.122 15337.73  536.365  484.144   4.9953  491.297   8.5968 -7.153931 9.942747 
1 1 1    9   11    8 o  723.912   6.7877 33671.70  549.579 34086.53  642.319 32538.17  1061.76  732.498   6.9050  715.326   11.688 17.17175 13.57543 
1 1 1    9   11    9 o  447.023   4.6783 12625.90  227.916 12560.86  261.687 12830.24  463.833  444.712   4.6337  449.333   8.1286 -4.621338 9.356543 
1 1 1    9   11   10 o  294.446   3.7946  5612.85  122.064  5718.31  141.178  5300.58  242.942  300.064   3.7049  288.828   6.6235 11.23563 7.589231 
1 1 1    9   11   11 o  385.100   4.2581  9658.77  182.484  9926.35  213.573  8935.13  351.227  395.305   4.2544  374.896   7.3773 20.40939 8.516153 
1 1 1    9   11   12 o  165.892   5.4423  1753.87  113.734  1725.28  171.322  1776.40  152.080  164.660   8.1931  167.124   7.1657 -2.463867 10.88456 
1 1 1    9   11   13 o  147.727   5.9255  1377.52  109.103  1452.24  173.634  1328.77  140.249  150.971   9.0566  144.482   7.6438 6.488235 11.85110 
1 1 1    9   11   14 o  331.919   5.0277  7002.65  211.706  7218.17  307.936  6809.48  291.532  336.745   7.2008  327.093   7.0184 9.651794 10.05533 
1 1 1    9   11   15 o  122.808   6.7376  965.372  104.584  924.849  153.620  1000.38  142.782  120.365   10.050  125.251   8.9766 -4.886086 13.47529 
1 1 1    9   11   16 o   87.190   9.3636  476.516  101.401  540.508  165.071  437.734  128.506   91.718   14.172   82.662   12.242 9.055336 18.72724 
1 1 1    9   11   17 o  232.988   4.9030  3455.81  143.459  3471.32  220.089  3444.35  189.166  233.387   7.4258  232.588   6.4044 0.7993622 9.806066 
1 1 1    9   11   18 f  311.344   5.0467  6187.42  199.230  5963.55  286.393  6397.36  277.333  305.839   7.3738  316.849   6.8924 -11.01004 10.09347 
1 1 1    9   11   19 f  233.451   5.1913  3476.15  153.395  3482.11  226.384  3471.09  208.575  233.592   7.6315  233.309   7.0397 0.2829895 10.38253 
1 1 1    9   11   20 o  310.277   5.1915  6151.34  204.336  5843.29  289.773  6456.01  288.182  302.497   7.5433  318.056   7.1349 -15.55917 10.38301 
1 1 1    9   11   21 o  151.551   6.7437  1498.63  126.393  1346.35  196.802  1605.53  164.895  144.685   10.711  158.417   8.1965 -13.73199 13.48732 
1 1 1    9   11   22 o  205.507   6.6536  2745.34  171.386  2418.43  253.253  3021.56  232.790  193.855   10.287  217.158   8.4413 -23.30209 13.30728 
1 1 1    9   11   23 o   91.049   11.534  561.872  128.725  491.116  190.009  621.893  175.003   84.501   18.241   97.598   14.120 -13.09753 23.06738 
1 1 1    9   11   24 o  384.986   5.7520  9516.70  281.208  9405.23  396.786  9629.20  398.596  382.705   8.1642  387.267   8.1048 -4.561249 11.50404 
1 1 1    9   11   25 o   46.174   12.864   64.845  125.394 -188.8754  217.558  191.060  153.445   38.039   17.839   54.308   18.539 -16.26985 25.72746 
1 1 1    9   11   26 o   69.123   13.819  303.541  130.453  545.299  216.056  164.839  163.651   86.420   20.071   51.825   19.001 34.59479 27.63869 
1 1 1    9   11   27 o  212.665   6.3382  2955.85  168.056  2976.53  264.095  2941.78  217.858  212.693   9.7775  212.637   8.0678 0.5532837E-01 12.67634 
1 1 1    9   11   28 o   71.945   15.416  416.657  152.707  472.258  227.841  371.310  205.763   75.897   22.219   67.993   21.376 7.903915 30.83211 
1 1 1    9   13    0 o  445.068   3.9763 12578.87  224.659 12713.84  322.733 12451.98  312.927  447.382   5.6805  442.754   5.5655 4.627838 7.952525 
1 1 1    9   13    1 o  484.957   4.2344 14918.91  260.517 15391.74  378.895 14494.94  358.782  492.232   6.0614  477.682   5.9144 14.54999 8.468814 
1 1 1    9   13    2 o  283.398   3.2311  5096.72  116.149  5186.66  168.995  5016.19  159.902  285.764   4.6568  281.032   4.4804 4.732452 6.462206 
1 1 1    9   13    3 o  817.765   6.5633 42487.34  681.241 43325.91  982.785 41711.76  945.157  825.517   9.3746  810.013   9.1883 15.50360 13.12663 
1 1 1    9   13    4 o  572.553   4.8151 20826.73  350.068 20540.79  490.739 21122.99  499.520  568.553   6.7968  576.553   6.8224 -7.999634 9.630211 
1 1 1    9   13    5 o  341.277   3.4185  7399.98  148.131  7282.33  210.197  7516.04  208.787  338.581   4.8886  343.974   4.7797 -5.393555 6.836963 
1 1 1    9   13    6 o  149.305   3.3932  1419.02   63.882  1391.91   95.736  1440.79   85.769  148.012   5.0933  150.599   4.4847 -2.586929 6.786335 
1 1 1    9   13    7 o  359.925   3.5061  8230.85  160.222  7996.18  225.404  8470.50  227.791  354.737   5.0035  365.112   4.9128 -10.37445 7.012227 
1 1 1    9   13    8 o  412.338   4.7085 10775.55  231.305 10705.20  281.498 10921.77  405.849  410.387   5.4014  414.289   7.7141 -3.902039 9.417096 
1 1 1    9   13    9 o  316.162   3.9528  6217.82  139.394  6073.59  161.266  6643.98  277.208  309.166   4.1075  323.158   6.7548 -13.99185 7.905625 
1 1 1    9   13   10 o  456.474   4.7593 13147.55  238.817 13038.13  275.169 13481.56  480.760  452.898   4.7843  460.051   8.2290 -7.153046 9.518698 
1 1 1    9   13   11 o  444.280   4.6643 12679.22  230.554 12809.37  268.562 12314.54  449.548  448.896   4.7111  439.665   8.0515 9.230927 9.328504 
1 1 1    9   13   12 o   87.401   6.5767  519.300   45.751  529.109   48.762  447.157  132.243   91.240   4.2084   83.562   12.462 7.678429 13.15336 
1 1 1    9   13   13 o  443.371   5.8461 12521.69  328.598 12729.03  480.617 12339.70  450.280  446.768   8.4711  439.973   8.0590 6.794952 11.69215 
1 1 1    9   13   14 o  355.556   5.1875  8062.25  233.971  7896.17  336.798  8217.15  325.274  351.979   7.5348  359.132   7.1321 -7.152924 10.37500 
1 1 1    9   13   15 o  269.278   4.9844  4629.78  169.910  4495.61  248.272  4747.98  233.031  265.557   7.3619  272.999   6.7216 -7.442078 9.968863 
1 1 1    9   13   16 o  239.608   5.1913  3669.05  155.966  3613.66  239.446  3709.88  205.551  237.947   7.9241  241.270   6.7087 -3.322983 10.38261 
1 1 1    9   13   17 o  220.852   5.1325  3132.73  142.782  2916.76  211.309  3314.19  193.687  213.720   7.7857  227.984   6.6899 -14.26434 10.26505 
1 1 1    9   13   18 f  436.778   5.8471 12140.79  322.935 12828.07  484.203 11590.15  433.405  447.762   8.5153  425.794   8.0152 21.96783 11.69424 
1 1 1    9   13   19 o  255.936   5.4978  4193.20  178.455  4064.09  256.443  4314.43  248.491  252.057   8.0115  259.815   7.5313 -7.758774 10.99564 
1 1 1    9   13   20 f   32.338   10.935 -271.1423  126.113 -119.2394  190.822 -388.9433  168.042   38.128   17.465   26.548   13.164 11.57932 21.87081 
1 1 1    9   13   21 o   51.094   13.385  109.056  122.318  247.590  182.775  -3.3137  164.614   61.475   20.222   40.713   17.543 20.76218 26.77073 
1 1 1    9   13   22 o  225.298   5.8523  3259.79  167.307  3287.62  241.932  3234.27  231.619  226.173   8.4232  224.424   8.1270 1.749496 11.70457 
1 1 1    9   13   23 o  133.532   8.1011  1171.61  134.938  1116.74  208.516  1211.14  176.997  130.450   12.587  136.614   10.202 -6.163422 16.20226 
1 1 1    9   13   24 o   65.887   13.788  316.240  124.963  253.581  192.694  361.718  164.163   60.737   20.775   71.037   18.135 -10.29951 27.57668 
1 1 1    9   13   25 o   71.179   19.153  376.841  176.933   0.0000   0.0000  376.841  176.933  ?   ?    71.179   19.153      ?      ? 
1 1 1    9   15    0 o  238.814   3.8158  3579.99  111.383  3462.35  138.660  3793.96  187.011  233.395   4.6782  244.234   6.0295 -10.83936 7.631578 
1 1 1    9   15    1 o  185.467   3.3426  2189.66   78.257  2155.77  116.773  2217.29  105.436  184.151   4.9934  186.783   4.4450 -2.632034 6.685212 
1 1 1    9   15    2 o  176.672   3.3169  1973.10   74.091  2095.69  111.239  1875.35   99.330  181.572   4.8243  171.772   4.5535 9.799896 6.633870 
1 1 1    9   15    3 f  208.316   3.2088  2756.49   84.716  2784.80  124.099  2731.78  115.932  209.311   4.6687  207.321   4.4033 1.989975 6.417638 
1 1 1    9   15    4 f  352.265   3.5104  7888.34  156.958  7910.71  225.694  7867.39  218.430  352.742   5.0383  351.788   4.8894 0.9542236 7.020719 
1 1 1    9   15    5 o  124.447   3.9343  991.506   61.730  912.628   90.539  1060.02   84.384  119.777   5.9523  129.118   5.1463 -9.340515 7.868574 
1 1 1    9   15    6 o  105.092   4.1951  709.845   55.293  646.367   82.692  761.179   74.362  100.780   6.4612  109.404   5.3523 -8.623711 8.390103 
1 1 1    9   15    7 o  261.737   3.1980  4327.65  105.683  4598.88  159.983  4117.66  140.770  268.956   4.6840  254.517   4.3553 14.43877 6.395947 
1 1 1    9   15    8 o  360.467   3.5421  8259.69  162.031  8347.23  234.147  8179.24  224.452  362.291   5.0893  358.644   4.9281 3.646790 7.084282 
1 1 1    9   15    9 o  306.498   3.2808  5974.19  127.648  5931.93  182.686  6014.51  178.432  305.432   4.7099  307.563   4.5684 -2.131653 6.561499 
1 1 1    9   15   10 o  200.618   4.1670  2619.67   91.364  2678.47  105.810  2447.32  181.137  205.269   4.0591  195.967   7.2786 9.302414 8.333909 
1 1 1    9   15   11 o  146.984   4.6544  1394.25   74.968  1412.49   86.720  1340.30  149.142  149.033   4.5821  144.935   8.1031 4.097824 9.308882 
1 1 1    9   15   12 f  338.615   4.0970  7352.33  153.066  7406.46  177.395  7194.61  302.826  341.301   4.0929  335.929   7.0985 5.372162 8.193941 
1 1 1    9   15   13 o  177.217   4.0440  2006.47   73.814  2011.11   82.981  1988.84  161.569  177.862   3.6738  176.573   7.2054 1.289398 8.087900 
1 1 1    9   15   14 o  138.256   6.8730  1207.05  118.217  1312.60  190.269  1140.68  150.871  143.003   10.477  133.509   8.8985 9.493439 13.74610 
1 1 1    9   15   15 o  140.675   6.7881  1256.04  119.863  1352.54  186.751  1188.43  156.306  145.143   10.132  136.207   9.0365 8.936401 13.57615 
1 1 1    9   15   16 o  187.102   6.8422  2270.25  156.324  2159.36  255.846  2336.31  197.473  183.123   11.002  191.082   8.1379 -7.958664 13.68433 
1 1 1    9   15   17 f  250.348   6.1135  4043.70  189.575  3897.12  300.471  4140.64  244.348  246.273   9.6075  254.423   7.5627 -8.150360 12.22690 
1 1 1    9   15   18 o  246.317   5.4594  3915.62  169.268  3575.03  249.333  4206.79  230.532  236.139   8.3145  256.495   7.0774 -20.35609 10.91878 
1 1 1    9   15   19 o   97.063   10.613  643.729  123.537  542.474  189.007  719.247  163.229   88.952   17.355  105.174   12.221 -16.22237 21.22630 
1 1 1    9   15   20 o   80.437   13.029  452.740  130.168  464.165  187.543  442.120  180.811   81.388   18.557   79.486   18.292 1.901558 26.05713 
1 1 1    9   15   21 o   64.752   13.982  298.789  127.036  239.359  194.047  343.365  168.054   60.023   20.832   69.480   18.654 -9.456669 27.96307 
1 1 1    9   17    0 o  434.053   3.9945 11981.81  219.999 12185.37  318.706 11796.54  304.061  437.557   5.7356  430.550   5.5611 7.007324 7.988911 
1 1 1    9   17    1 o  213.371   3.3804  2884.77   91.230  3010.97  136.341  2782.46  122.763  217.569   4.9346  209.173   4.6215 8.396301 6.760810 
1 1 1    9   17    2 o  143.167   4.0832  1292.74   73.351  1379.15  114.300  1232.24   95.644  147.176   6.1155  139.158   5.4122 8.018005 8.166470 
1 1 1    9   17    3 o  592.168   5.0174 22349.93  377.298 22349.01  535.816 22350.83  531.372  592.146   7.1254  592.189   7.0658 -0.4272461E-01 10.03477 
1 1 1    9   17    4 o  132.280   4.2527  1106.32   70.708  1167.19  109.224  1062.40   92.770  135.369   6.3536  129.192   5.6545 6.177307 8.505415 
1 1 1    9   17    5 o  146.513   3.9418  1394.10   71.786  1186.18  107.889  1559.28   96.163  136.467   6.2255  156.560   4.8367 -20.09343 7.883541 
1 1 1    9   17    6 o  136.338   4.0325  1168.04   69.190  1297.25  106.934  1074.99   90.745  142.726   5.8998  129.950   5.4988 12.77605 8.065014 
1 1 1    9   17    7 o  184.492   3.4426  2165.40   79.904  2168.83  121.628  2162.79  105.982  184.595   5.1884  184.390   4.5260 0.2047577 6.885122 
1 1 1    9   17    8 o  196.114   3.3485  2433.35   83.044  2595.05  124.547  2303.91  111.429  201.936   4.8567  190.293   4.6110 11.64357 6.696971 
1 1 1    9   17    9 o  154.763   5.4366  1495.81   84.602  1586.44  194.296  1474.60   93.979  157.316   9.7255  152.211   4.8619 5.104828 10.87311 
1 1 1    9   17   10 o  218.655   4.5242  3061.59  115.216  3080.77  138.036  3017.53  209.205  219.982   4.9412  217.329   7.5801 2.653748 9.048406 
1 1 1    9   17   11 o  127.297   5.7781  999.656   82.796  959.256   95.950  1117.44  163.832  122.648   6.1604  131.947   9.7774 -9.298233 11.55629 
1 1 1    9   17   12 o  288.420   4.6822  4790.04  154.899  4191.98  179.145  6561.74  308.336  256.477   5.5002  320.363   7.5789 -63.88660 9.364381 
1 1 1    9   17   13 o  194.980   5.2122  2413.93  112.332  2396.41  129.864  2465.97  223.870  193.920   5.2734  196.041   8.9923 -2.120773 10.42449 
1 1 1    9   17   14 o  154.030   5.4242  1512.52   78.456  1509.51   85.772  1527.99  194.146  153.981   4.3863  154.080   9.9221 -0.9976196E-01 10.84840 
1 1 1    9   17   15 o  168.592   6.9995  1844.52  147.309  1756.97  227.266  1907.96  193.448  164.866   10.855  172.319   8.8400 -7.452347 13.99908 
1 1 1    9   17   16 o  250.935   5.7528  4052.13  182.094  3977.01  272.341  4112.86  244.881  248.649   8.6248  253.220   7.6152 -4.571121 11.50556 
1 1 1    9   17   17 o  175.878   6.9940  2035.88  153.214  1628.46  220.686  2415.00  212.880  158.210   10.984  193.547   8.6611 -35.33676 13.98799 
1 1 1    9   17   18 o  170.213   9.1638  1877.82  198.083   0.0000   0.0000  1877.82  198.083  ?   ?   170.213   9.1638      ?      ? 
1 1 1    9   19    0 o  286.237   3.6927  5223.21  134.077  5102.56  192.866  5336.04  186.521  283.011   5.3663  289.464   5.0741 -6.452972 7.385344 
1 1 1    9   19    1 o  109.221   6.0566  764.862   83.894  730.169  119.725  798.328  117.591  106.755   8.8312  111.686   8.2908 -4.930672 12.11311 
1 1 1    9   19    2 o  102.919   7.2253  706.656   90.292  488.658  131.058  903.616  124.574   87.015   11.860  118.823   8.2556 -31.80736 14.45056 
1 1 1    9   19    3 o  156.804   7.5158  1571.64  149.661  1571.64  149.661   0.0000   0.0000  156.804   7.5158  ?   ?       ?      ? 
1 1 1    9   19    6 o  153.406   4.9709  1510.91   95.690  1455.27  145.534  1553.28  127.002  150.824   7.5983  155.988   6.4113 -5.163879 9.941746 
1 1 1    9   19    7 o  435.048   4.1121 12066.35  227.075 12252.47  327.129 11893.28  315.454  438.263   5.8777  431.833   5.7523 6.429779 8.224134 
1 1 1    9   19    8 o  315.544   3.5953  6345.61  143.985  6327.63  207.025  6362.46  200.389  315.091   5.1738  315.997   4.9936 -0.9063721 7.190557 
1 1 1    9   19    9 o  181.594   3.9572  2098.65   90.199  2135.71  139.068  2071.74  118.508  182.913   5.9869  180.274   5.1765 2.639511 7.914498 
1 1 1    9   19   10 o  211.981   3.5588  2869.81   95.367  2809.73  140.961  2920.51  129.505  209.887   5.2885  214.075   4.7637 -4.187943 7.117663 
1 1 1    9   19   11 o  333.657   4.5563  7214.30  181.157  7402.33  222.477  6844.31  312.079  340.637   5.1430  326.677   7.5226 13.96021 9.112617 
1 1 1    9   19   12 o  126.716   6.5631  1082.52   87.426  1122.43  100.065  953.753  179.717  132.495   5.9471  120.938   11.702 11.55640 13.12619 
1 1 1    9   19   13 o   52.287   11.831  163.603   73.888  152.039   81.717  215.425  172.984   47.290   13.137   57.284   19.681 -9.994286 23.66259 
1 1 1    9   19   14 o  117.226   7.0244  927.104   77.646  944.407   85.524  845.957  185.212  121.468   5.5443  112.984   12.908 8.483963 14.04875 
1 1 1    9   21    0 o  186.563   4.4399  2232.43  104.652  2168.51  154.779  2286.26  142.041  184.016   6.6234  189.109   5.9146 -5.092789 8.879809 
1 1 1    9   21    1 o  247.218   3.7999  3895.47  118.743  3976.62  177.454  3829.66  159.789  249.485   5.6010  244.951   5.1368 4.533844 7.599819 
1 1 1    9   21    2 o  112.646   6.3292  808.662   89.736  977.474  134.665  673.834  120.350  123.158   8.6102  102.134   9.2789 21.02356 12.65836 
1 1 1    9   21    3 o  173.426   4.4657  1909.98   97.881  2087.29  147.517  1770.52  130.829  180.531   6.4345  166.321   6.1941 14.20988 8.931382 
1 1 1    9   21    4 f   50.717   11.177  167.341   79.052  208.862  123.651  138.639  102.806   55.211   16.423   46.222   15.164 8.988873 22.35343 
1 1 1    9   21    5 o  134.303   5.2219  1173.27   86.828  1093.61  136.402  1227.54  112.584  130.219   8.2484  138.388   6.4062 -8.168625 10.44388 
1 1 1    9   21    6 o  123.359   5.3533  981.192   82.135  973.352  129.648  986.448  106.156  122.769   8.3157  123.949   6.7441 -1.179260 10.70669 
1 1 1    9   21    7 o   43.761   10.475  118.025   73.940   42.550  111.971  176.385   98.461   36.905   15.078   50.616   14.546 -13.71103 20.95043 
1 1 1    9   21    8 o   44.402   10.355  130.360   72.717   36.842  121.512  182.536   90.763   37.482   15.550   51.321   13.678 -13.83908 20.70972 
1 1 1    9   21    9 o  143.708   4.6476  1307.46   84.003  1494.67  130.301  1174.31  109.886  152.314   6.7364  135.102   6.4048 17.21280 9.295204 
1 1 1    9   21   10 o  174.133   5.3699  1975.14  118.070  1766.96  168.952  2173.86  165.068  164.891   8.0685  183.374   7.0884 -18.48387 10.73987 
1 1 1    9   21   11 o   81.951   13.345  457.250  138.881  457.250  138.881   0.0000   0.0000   81.951   13.345  ?   ?       ?      ? 
1 1 1    9   23    0 o   22.090   11.067 -453.8463  101.428 -603.9177  157.519 -347.5535  132.567  ?   ?    22.090   11.067      ?      ? 
1 1 1    9   23    1 o   35.041   10.305 -79.8286  101.423 -507.2238  174.102  139.722  124.783   24.142   12.173   45.940   16.630 -21.79720 20.60926 
1 1 1    9   23    2 o   85.942   10.388  528.206  107.164  509.158  171.259  540.464  137.384   82.838   16.853   89.045   12.149 -6.206978 20.77575 
1 1 1    9   23    3 o  123.038   6.5487  990.998  101.604  1114.53  155.333  898.621  134.325  129.553   9.4414  116.523   9.0776 13.03054 13.09742 
1 1 1    9   23    4 o  119.232   6.5939  956.800   98.330  840.419  145.846  1053.79  133.139  111.940   10.260  126.524   8.2862 -14.58424 13.18789 
1 1 1    9   23    5 o  110.465   8.0481  854.281  103.135  764.918  181.470  896.917  125.346  104.404   13.687  116.527   8.4705 -12.12327 16.09615 
1 1 1    9   23    6 o   77.176   12.178  430.867  112.077  560.881  192.585  364.284  137.819   84.767   18.417   69.585   15.939 15.18275 24.35612 
1 1 1    9   23    7 o   72.101   12.294  399.334  110.622  460.229  168.962  353.649  146.349   76.740   17.699   67.461   17.069 9.278587 24.58871 
1 1 1    9   23    8 o   60.111   19.661  299.666  172.864  299.666  172.864   0.0000   0.0000   60.111   19.661  ?   ?       ?      ? 
1 1 1   10    0    0 o  511.171   4.2780 16601.14  392.616 16601.14  392.616 16601.14  392.616  511.171   6.0501  511.171   6.0501 -0.000000 0.000000 
1 1 1   10    0    2 o  363.430   3.2767  8391.67  213.792  8391.67  213.792  8391.67  213.792  363.430   4.6340  363.430   4.6340 -0.000000 0.000000 
1 1 1   10    0    3 o  617.768   5.0399 24249.16  558.997 24249.16  558.997 24249.16  558.997  617.768   7.1275  617.768   7.1275 -0.000000 0.000000 
1 1 1   10    0    5 o  172.223   2.3368  1885.56   72.218  1885.56   72.218  1885.56   72.218  172.223   3.3047  172.223   3.3047 -0.000000 0.000000 
1 1 1   10    0    6 o  188.590   2.4022  2260.69   81.301  2260.69   81.301  2260.69   81.301  188.590   3.3972  188.590   3.3972 -0.000000 0.000000 
1 1 1   10    0    7 o  400.128   3.5429 10172.36  254.508 10172.36  254.508 10172.36  254.508  400.128   5.0105  400.128   5.0105 -0.000000 0.000000 
1 1 1   10    0    8 f  583.067   4.8031 21601.44  502.802 21601.44  502.802 21601.44  502.802  583.067   6.7926  583.067   6.7926 -0.000000 0.000000 
1 1 1   10    0    9 o  573.918   4.7385 20928.44  488.258 20928.44  488.258 20928.44  488.258  573.918   6.7012  573.918   6.7012 -0.000000 0.000000 
1 1 1   10    0   10 o  682.086   5.5190 29562.69  675.867 29562.69  675.867 29562.69  675.867  682.086   7.8050  682.086   7.8050 -0.000000 0.000000 
1 1 1   10    0   11 o  303.178   2.9803  5840.32  162.204  5840.32  162.204  5840.32  162.204  303.178   4.2148  303.178   4.2148 -0.000000 0.000000 
1 1 1   10    0   12 o  940.368   7.4365 56202.46  1255.56 56202.46  1255.56 56202.46  1255.56  940.368   10.517  940.368   10.517 -0.000000 0.000000 
1 1 1   10    0   13 o  727.968   8.3058 33696.83  1085.26 33696.83  1085.26 33696.83  1085.26  727.968   11.746  727.968   11.746 -0.000000 0.000000 
1 1 1   10    0   14 o  1474.98   11.490 138353.41  3042.93 138353.41  3042.93 138353.41  3042.93  1474.98   16.250  1474.98   16.250 -0.000000 0.000000 
1 1 1   10    0   15 o  378.895   3.5749  9121.55  243.168  9121.55  243.168  9121.55  243.168  378.895   5.0557  378.895   5.0557 -0.000000 0.000000 
1 1 1   10    0   16 o  724.568   5.8640 33359.55  762.842 33359.55  762.842 33359.55  762.842  724.568   8.2929  724.568   8.2929 -0.000000 0.000000 
1 1 1   10    0   17 o  383.447   3.5588  9342.06  244.980  9342.06  244.980  9342.06  244.980  383.447   5.0329  383.447   5.0329 -0.000000 0.000000 
1 1 1   10    0   18 o  422.160   3.8003 11324.42  288.024 11324.42  288.024 11324.42  288.024  422.160   5.3744  422.160   5.3744 -0.000000 0.000000 
1 1 1   10    0   19 o  453.957   4.0164 13097.54  327.332 13097.54  327.332 13097.54  327.332  453.957   5.6800  453.957   5.6800 -0.000000 0.000000 
1 1 1   10    0   20 o  310.521   3.2304  6129.34  180.065  6129.34  180.065  6129.34  180.065  310.521   4.5685  310.521   4.5685 -0.000000 0.000000 
1 1 1   10    0   21 o  181.307   3.1088  2091.99  101.094  2091.99  101.094  2091.99  101.094  181.307   4.3965  181.307   4.3965 -0.000000 0.000000 
1 1 1   10    0   22 o  158.824   3.3578  1607.08   95.585  1607.08   95.585  1607.08   95.585  158.824   4.7487  158.824   4.7487 -0.000000 0.000000 
1 1 1   10    0   23 o  122.143   4.0171  954.495   87.687  954.495   87.687  954.495   87.687  122.143   5.6811  122.143   5.6811 -0.000000 0.000000 
1 1 1   10    0   24 f   20.902   9.4655   4.1011   80.055   4.1011   80.055   4.1011   80.055   20.902   13.386   20.902   13.386 -0.000000 0.000000 
1 1 1   10    0   25 o  129.660   4.3290  1076.58  100.293  1076.58  100.293  1076.58  100.293  129.660   6.1221  129.660   6.1221 -0.000000 0.000000 
1 1 1   10    0   26 o  256.585   3.6152  4191.58  166.441  4191.58  166.441  4191.58  166.441  256.585   5.1126  256.585   5.1126 -0.000000 0.000000 
1 1 1   10    0   27 o   82.574   7.6552  457.813  108.117  457.813  108.117  457.813  108.117   82.574   10.826   82.574   10.826 -0.000000 0.000000 
1 1 1   10    0   28 o   22.826   10.276   10.500   92.644   10.500   92.644   10.500   92.644   22.826   14.532   22.826   14.532 -0.000000 0.000000 
1 1 1   10    0   29 o  169.463   4.0846  1835.96  123.986  1835.96  123.986  1835.96  123.986  169.463   5.7765  169.463   5.7765 -0.000000 0.000000 
1 1 1   10    0   30 o   41.556   12.828  162.578   99.526  162.578   99.526  162.578   99.526   41.556   18.141   41.556   18.141 -0.000000 0.000000 
1 1 1   10    0   31 o   32.382   12.945   97.525  115.637   97.525  115.637   97.525  115.637   32.382   18.308   32.382   18.308 -0.000000 0.000000 
1 1 1   10    0   32 o   43.925   13.889  191.071  116.576  191.071  116.576  191.071  116.576   43.925   19.642   43.925   19.642 -0.000000 0.000000 
1 1 1   10    0   33 o   48.144   14.018  226.163  119.996  226.163  119.996  226.163  119.996   48.144   19.824   48.144   19.824 -0.000000 0.000000 
1 1 1   10    2    0 f  599.541   4.9145 22822.62  374.034 23272.27  538.077 22402.20  520.299  605.250   7.0005  593.833   6.8994 11.41754 9.829003 
1 1 1   10    2    1 o  1135.44   12.579 81999.70  1813.85   0.0000   0.0000 81999.70  1813.85  ?   ?   1135.44   12.579      ?      ? 
1 1 1   10    2    3 o  859.668   6.8231 46964.22  744.712 47625.03  1067.19 46337.00  1039.71  865.555   9.7089  853.782   9.5893 11.77271 13.64616 
1 1 1   10    2    4 o  542.077   4.5028 18663.87  309.922 18894.46  443.000 18442.83  433.739  545.354   6.3966  538.799   6.3390 6.554626 9.005536 
1 1 1   10    2    5 o  367.648   3.3241  8550.57  154.823  9078.73  228.884  8105.08  210.212  378.070   4.7672  357.225   4.6338 20.84491 6.648196 
1 1 1   10    2    6 o  112.557   2.4269  804.582   34.689  799.177   49.120  809.960   48.995  112.179   3.4480  112.934   3.4163 -0.7543716 4.853817 
1 1 1   10    2    7 o  365.665   3.3152  8488.34  153.897  8655.12  221.046  8331.44  214.393  369.149   4.7152  362.182   4.6613 6.967194 6.630311 
1 1 1   10    2    8 o  882.750   7.0026 49537.46  785.005 49543.08  1110.53 49531.86  1109.80  882.800   9.9058  882.700   9.9004 0.9948730E-01 14.00512 
1 1 1   10    2    9 o  402.880   3.5635 10300.46  182.223 10569.77  263.028 10051.92  252.686  407.939   5.0773  397.822   5.0017 10.11682 7.127077 
1 1 1   10    2   10 f  881.186   6.9936 49325.70  782.221 50316.62  1128.00 48407.74  1085.67  889.697   9.9836  872.675   9.7964 17.02161 13.98723 
1 1 1   10    2   11 o  272.198   3.5373  4740.75  114.055  4608.29  200.230  4804.37  138.769  269.349   5.8538  275.047   3.9729 -5.698120 7.074647 
1 1 1   10    2   12 o  1011.54   7.9752 65053.91  1024.47 64983.70  1447.45 65124.38  1450.20  1010.99   11.274  1012.09   11.283 -1.092712 15.95034 
1 1 1   10    2   13 o  742.535   5.9814 35027.30  563.969 35330.60  804.523 34734.25  790.799  745.693   8.4957  739.377   8.4221 6.315796 11.96286 
1 1 1   10    2   14 o  137.779   3.3483  1208.13   58.376  1087.89   82.388  1329.35   82.725  130.879   4.9570  144.679   4.5025 -13.79991 6.696567 
1 1 1   10    2   15 o  632.596   7.4069 25422.82  595.029 25422.82  595.029   0.0000   0.0000  632.596   7.4069  ?   ?       ?      ? 
1 1 1   10    2   16 o  562.938   4.7130 20122.92  336.838 19809.90  469.740 20454.22  483.270  558.435   6.6238  567.441   6.7064 -9.005676 9.426082 
1 1 1   10    2   17 o  695.184   5.6525 30707.24  498.999 30501.83  701.484 30917.66  709.976  692.832   7.9728  697.536   8.0149 -4.704041 11.30509 
1 1 1   10    2   18 o  535.878   4.5399 18247.51  308.942 18278.27  438.537 18217.20  435.301  536.325   6.4387  535.430   6.4019 0.8944092 9.079744 
1 1 1   10    2   19 o  226.804   2.9721  3268.32   85.600  3238.25  121.202  3298.24  120.913  225.763   4.2275  227.846   4.1788 -2.083160 5.944249 
1 1 1   10    2   20 o   55.246   7.2554  200.892   49.011  202.184   70.367  199.674   68.304   55.403   10.383   55.088   10.137 0.3146057 14.51085 
1 1 1   10    2   21 f  375.103   3.5648  8942.47  169.777  8734.48  237.390  9160.24  242.906  370.639   5.0435  379.566   5.0393 -8.926300 7.129647 
1 1 1   10    2   22 o   99.603   5.5472  633.394   65.767  635.384   80.175  629.299  114.990   99.909   6.3191   99.297   9.1190 0.6124420 11.09444 
1 1 1   10    2   23 o  109.528   4.3188  769.842   59.551  866.424   83.033  667.546   85.455  116.681   5.6037  102.374   6.5731 14.30668 8.637510 
1 1 1   10    2   24 o   61.075   7.7027  251.041   56.843  326.389   79.399  171.816   81.416   71.462   8.7491   50.689   12.680 20.77223 15.40532 
1 1 1   10    2   25 o   98.121   5.3728  616.734   66.689  639.651   91.474  590.734   97.433  100.102   7.1958   96.140   7.9804 3.962364 10.74551 
1 1 1   10    2   26 o  383.170   3.9023  9343.22  189.756  8979.27  262.783  9739.76  274.298  375.384   5.5124  390.955   5.5248 -15.57028 7.804518 
1 1 1   10    2   27 o  175.408   3.8923  1962.16   86.675  1987.79  121.560  1935.66  123.621  176.584   5.4208  174.232   5.5871 2.352280 7.784633 
1 1 1   10    2   28 o   69.816   8.5314  336.373   70.964  447.157   98.295  215.773  102.557   83.335   9.2881   56.298   14.313 27.03689 17.06273 
1 1 1   10    2   29 o  164.912   4.2127  1740.31   88.199  1779.03  124.338  1701.09  125.131  166.777   5.8707  163.048   6.0433 3.729538 8.425351 
1 1 1   10    2   30 o  206.878   3.8233  2739.73  100.427  2677.26  140.460  2805.07  143.643  204.465   5.4095  209.290   5.4045 -4.825134 7.646675 
1 1 1   10    2   31 o   94.625   12.818  664.582  128.883  626.765  258.898  677.041  148.605   88.736   22.840  100.515   11.642 -11.77842 25.63599 
1 1 1   10    2   32 f   57.491   12.903  234.750   92.690  287.410  201.609  220.635  104.376   60.182   21.212   54.799   14.696 5.382885 25.80527 
1 1 1   10    2   33 o   72.296   13.008  448.073  123.707  315.657  193.650  539.365  160.792   60.336   20.818   84.257   15.602 -23.92121 26.01544 
1 1 1   10    4    0 o  420.981   3.7438 11248.62  200.008 11040.54  276.800 11475.95  289.326  416.912   5.2281  425.049   5.3601 -8.137451 7.487536 
1 1 1   10    4    1 o  456.312   3.9558 13210.26  229.073 13671.04  331.590 12789.59  316.830  463.913   5.6284  448.711   5.5601 15.20245 7.911632 
1 1 1   10    4    2 o  475.179   4.0699 14328.63  245.448 14772.55  354.697 13920.74  340.002  482.233   5.7919  468.126   5.7193 14.10699 8.139807 
1 1 1   10    4    3 o  362.810   3.3441  8353.97  153.970  8195.24  213.031  8527.57  222.789  359.206   4.6701  366.414   4.7879 -7.208038 6.688298 
1 1 1   10    4    4 o  533.882   4.4654 18083.52  302.444 17593.58  416.555 18629.74  439.833  526.249   6.2331  541.516   6.3959 -15.26740 8.930763 
1 1 1   10    4    5 o  470.062   4.0177 14031.63  239.779 13846.32  334.854 14226.63  343.509  466.879   5.6477  473.245   5.7158 -6.365936 8.035356 
1 1 1   10    4    6 o  376.193   3.3983  8977.12  162.230  9284.23  235.044  8697.71  224.196  382.329   4.8410  370.057   4.7707 12.27213 6.796680 
1 1 1   10    4    7 o  1127.59   12.532 81016.54  1794.37 80268.79  2514.46 81792.48  2561.43  1122.31   17.642  1132.87   17.804 -10.56421 25.06477 
1 1 1   10    4    8 o  433.991   3.7742 11957.17  207.940 11734.77  289.576 12193.94  298.784  429.828   5.3051  438.155   5.3697 -8.326965 7.548353 
1 1 1   10    4    9 o  707.064   5.7247 31742.13  513.714 32452.55  742.315 31089.17  711.656  714.645   8.1794  699.482   8.0115 15.16223 11.44932 
1 1 1   10    4   10 f  556.111   4.6314 19641.14  327.023 19396.02  457.435 19897.39  467.698  552.564   6.5188  559.657   6.5806 -7.093750 9.262792 
1 1 1   10    4   11 o  582.361   4.8261 21526.83  356.704 22041.60  515.321 21053.29  494.249  589.037   6.8890  575.685   6.7606 13.35205 9.652145 
1 1 1   10    4   12 o  666.716   5.4352 28235.95  460.136 27969.63  645.123 28511.73  656.485  663.518   7.6562  669.915   7.7166 -6.396545 10.87031 
1 1 1   10    4   13 o  473.530   4.1090 14241.47  247.087 14160.21  347.756 14324.31  351.135  472.167   5.7997  474.894   5.8224 -2.727356 8.218034 
1 1 1   10    4   14 o  302.119   4.4952  5796.74  172.467   0.0000   0.0000  5796.74  172.467  ?   ?   302.119   4.4952      ?      ? 
1 1 1   10    4   15 o  399.834   3.6711 10152.26  186.378 10230.81  266.180 10076.71  261.051  401.351   5.2224  398.318   5.1608 3.032806 7.342185 
1 1 1   10    4   16 o  266.961   3.0230  4525.91  102.480  4450.42  144.368  4602.58  145.497  264.718   4.2945  269.206   4.2559 -4.487915 6.046092 
1 1 1   10    4   17 o  746.217   6.0377 35347.92  571.573 34375.51  787.163 36432.42  831.294  735.387   8.4289  757.047   8.6468 -21.66040 12.07531 
1 1 1   10    4   18 o  309.511   3.1820  6086.78  125.050  6042.94  178.034  6129.48  175.686  308.409   4.5457  310.613   4.4539 -2.203796 6.363967 
1 1 1   10    4   19 o  202.273   2.9163  2598.21   74.875  2646.93  107.955  2553.05  103.937  204.097   4.1651  200.448   4.0831 3.649017 5.832655 
1 1 1   10    4   20 f  200.910   2.9528  2563.97   75.244  2589.75  109.403  2540.83  103.652  201.863   4.2677  199.956   4.0819 1.907944 5.905536 
1 1 1   10    4   21 o  270.011   3.1135  4635.52  106.734  4567.76  151.903  4701.59  150.004  268.058   4.4623  271.965   4.3432 -3.906799 6.227030 
1 1 1   10    4   22 o  384.995   3.6443  9423.73  178.070  9553.46  256.959  9303.87  246.993  387.534   5.2213  382.456   5.0854 5.077881 7.288552 
1 1 1   10    4   23 o   81.280   5.0577  423.244   51.925  465.287   72.604  379.224   74.291   85.453   6.6904   77.107   7.5869 8.345261 10.11545 
1 1 1   10    4   24 o  270.431   3.2086  4652.85  110.174  4639.81  157.047  4665.49  154.601  270.053   4.5793  270.809   4.4954 -0.7558594 6.417102 
1 1 1   10    4   25 o  166.568   3.4386  1769.65   72.591  1689.61  104.383  1844.62  101.019  162.897   5.0459  170.239   4.6727 -7.341934 6.877145 
1 1 1   10    4   26 o  300.611   9.0563  5797.75  345.725  5797.75  345.725   0.0000   0.0000  300.611   9.0563  ?   ?       ?      ? 
1 1 1   10    4   27 o   87.028   9.5436  406.013   83.559  651.824  208.057  358.740   91.241   99.388   16.484   74.668   9.6223 24.72064 19.08714 
1 1 1   10    4   28 o  131.419   6.9432  1099.35   90.859  1142.93  209.746  1089.29  100.808  132.299   12.484  130.539   6.0811 1.760300 13.88645 
1 1 1   10    4   29 o   44.934   12.687   33.890   86.886  218.222  211.218  -3.6537   95.324   59.000   21.594   30.869   13.325 28.13087 25.37408 
1 1 1   10    4   30 o  151.937   6.2002  1551.95   98.115  1415.57  205.812  1592.06  111.614  146.345   11.074  157.529   5.5793 -11.18428 12.40036 
1 1 1   10    4   31 o  218.807   6.9420  3141.50  184.264  3277.70  312.587  3068.97  228.112  221.102   11.133  216.511   8.2964 4.591324 13.88407 
1 1 1   10    4   32 o   36.511   11.812 -48.9260  116.821  -7.7557  197.281 -71.1578  144.971   40.594   18.261   32.427   14.987 8.167847 23.62370 
1 1 1   10    4   33 o  101.071   11.646  811.246  137.614  700.114  220.716  881.922  176.015   91.012   19.670  111.130   12.472 -20.11806 23.29122 
1 1 1   10    6    0 o  102.410   3.7477  711.433   41.545  759.875   48.533  578.602   80.367  109.387   3.4938   95.433   6.6314 13.95397 7.495422 
1 1 1   10    6    1 o  706.195   6.5938 31660.98  512.037 31621.83  591.059 31778.73  1025.06  705.510   6.5971  706.880   11.419 -1.369873 13.18765 
1 1 1   10    6    2 o  626.535   5.9318 24890.11  407.743 24834.74  470.020 25058.51  819.692  625.264   5.9194  627.806   10.281 -2.541504 11.86354 
1 1 1   10    6    3 f  785.113   7.1747 40096.48  641.728 41321.09  762.000 37109.35  1190.09  806.432   7.4406  763.794   12.270 42.63824 14.34935 
1 1 1   10    6    4 o  583.144   5.6081 21115.64  349.533 20711.65  396.513 22523.82  740.295  571.029   5.4679  595.259   9.7931 -24.23004 11.21620 
1 1 1   10    6    5 o  1398.22   13.360 125033.40  2248.38 125887.90  2774.05 123397.10  3838.54  1406.12   15.535  1390.32   21.741 15.80188 26.72073 
1 1 1   10    6    6 o  389.895   4.0286  9654.33  199.472  9654.33  199.472   0.0000   0.0000  389.895   4.0286  ?   ?       ?      ? 
1 1 1   10    6    7 o  839.436   7.7052 45213.50  721.739 45674.89  841.998 43935.44  1401.36  847.850   7.8201  831.023   13.279 16.82715 15.41047 
1 1 1   10    6    8 o  415.037   4.2815 11025.05  196.054 11111.18  227.203 10773.93  387.940  418.276   4.2773  411.798   7.4183 6.478485 8.563087 
1 1 1   10    6    9 o  408.810   4.2472 10791.08  193.876 10991.34  226.748 10246.67  373.857  416.016   4.2920  401.604   7.3304 14.41269 8.494489 
1 1 1   10    6   10 o  554.920   5.7447 19521.22  383.507 19429.12  471.474 19701.32  659.313  553.045   6.7130  556.796   9.3243 -3.750732 11.48948 
1 1 1   10    6   11 o   92.069   7.7220  568.964   85.376  394.658  128.885  705.250  113.965   78.782   12.882  105.357   8.5179 -26.57484 15.44390 
1 1 1   10    6   12 o  585.224   6.9816 21696.29  517.631 22737.51  764.657 20815.55  703.270  598.133   10.067  572.315   9.6763 25.81763 13.96321 
1 1 1   10    6   13 o  903.312   10.208 51709.20  1167.45 54446.82  1734.69 49442.63  1578.41  925.039   14.767  881.586   14.099 43.45331 20.41636 
1 1 1   10    6   14 o  391.768   5.3636  9732.44  266.377 10050.19  390.762  9456.61  364.080  397.726   7.7366  385.811   7.4310 11.91495 10.72727 
1 1 1   10    6   15 o  715.857   8.2686 32449.19  749.412 30883.23  1013.05 34341.96  1113.75  696.887   11.447  734.827   11.935 -37.94012 16.53721 
1 1 1   10    6   16 o  359.189   5.1345  8199.88  234.091  7870.23  329.700  8535.00  332.427  351.904   7.3776  366.475   7.1429 -14.57120 10.26892 
1 1 1   10    6   17 o  395.983   4.3541 10115.17  190.822  9664.72  373.559 10274.21  221.967  389.821   7.5460  402.145   4.3464 -12.32339 8.708202 
1 1 1   10    6   18 o  216.682   3.8241  2965.15   80.836  3016.00  191.336  2954.11   89.186  217.719   6.9203  215.645   3.2567 2.073288 7.648288 
1 1 1   10    6   19 o  359.982   4.4059  8154.51  183.098  8459.32  341.990  8032.03  216.785  364.504   7.3881  355.458   4.8025 9.045990 8.811788 
1 1 1   10    6   20 o  100.937   6.0798  549.581   49.652  789.548  159.199  523.723   52.259  111.108   11.283   90.766   4.5338 20.34184 12.15963 
1 1 1   10    6   21 o  341.362   4.2289  7420.37  150.522  7409.88  324.653  7423.24  169.885  340.978   7.4975  341.746   3.9145 -0.7680969 8.457871 
1 1 1   10    6   22 o  340.287   4.2412  7369.85  151.432  7378.13  323.975  7367.54  171.297  340.145   7.5001  340.429   3.9623 -0.2832031 8.482448 
1 1 1   10    6   23 o  161.510   4.8009  1658.84   71.605  1669.75  180.920  1656.82   77.972  161.592   8.8164  161.428   3.8035 0.1644287 9.601820 
1 1 1   10    6   24 o  206.930   4.3941  2685.20   87.972  2800.19  211.574  2661.16   96.731  209.291   7.9604  204.569   3.7235 4.722351 8.788158 
1 1 1   10    6   25 o  317.735   4.8370  6268.71  170.232  6813.04  343.288  6091.21  196.032  326.210   8.2867  309.259   4.9915 16.95010 9.673913 
1 1 1   10    6   26 o   92.769   9.3341  589.029   71.053  538.683  191.491  597.067   76.516   88.826   17.598   96.711   6.2301 -7.884460 18.66824 
1 1 1   10    6   27 o  225.427   4.7241  3393.13  103.913  3029.08  237.304  3479.50  115.584  217.062   8.6088  233.792   3.8930 -16.72987 9.448135 
1 1 1   10    6   28 o  320.785   4.6739  6449.37  148.559  6834.94  347.434  6363.11  164.340  325.586   8.4029  315.984   4.0954 9.601532 9.347799 
1 1 1   10    6   29 o   79.376   10.841  394.657   63.917  490.566  212.885  385.155   67.008   81.406   20.581   77.347   6.8220 4.059479 21.68226 
1 1 1   10    6   30 o   48.483   13.369  125.968  126.130 -17.2129  207.973  209.270  158.633   42.559   18.976   54.407   18.838 -11.84810 26.73840 
1 1 1   10    6   31 o   54.325   13.466  220.123  113.636  225.086  178.089  216.714  147.586   54.882   19.867   53.768   18.182 1.114025 26.93139 
1 1 1   10    6   32 o   75.479   11.988  381.025  116.521  756.813  204.511  200.404  141.784  100.231   16.067   50.727   17.795 49.50491 23.97555 
1 1 1   10    8    0 o  533.714   4.4680 18079.07  302.643 18523.53  437.524 17671.30  419.075  539.996   6.3802  527.432   6.2567 12.56378 8.936080 
1 1 1   10    8    1 o  596.705   5.7326 22616.44  434.403 22616.44  434.403   0.0000   0.0000  596.705   5.7326  ?   ?       ?      ? 
1 1 1   10    8    2 o  586.691   5.5928 22231.88  370.018 22673.83  435.354 21081.94  702.250  597.462   5.7379  575.920   9.6018 21.54224 11.18563 
1 1 1   10    8    3 o  1014.11   9.1890 66153.38  1042.82 66992.54  1219.35 63868.18  2012.19  1026.67   9.3523  1001.55   15.820 25.11694 18.37796 
1 1 1   10    8    4 f  598.869   7.0216 22782.24  533.793 22293.69  742.295 23305.44  768.165  592.228   9.8698  605.510   9.9898 -13.28168 14.04312 
1 1 1   10    8    5 o  814.427   7.6146 40980.29  656.789 40057.27  741.687 44333.85  1413.74  794.042   7.3553  834.813   13.335 -40.77051 15.22926 
1 1 1   10    8    6 o  702.753   6.5997 31198.13  506.041 31020.93  581.280 31752.79  1028.42  698.812   6.5501  706.694   11.459 -7.882019 13.19932 
1 1 1   10    8    7 o  628.618   6.0008 24820.58  408.854 24561.50  467.637 25661.14  842.322  621.845   5.9217  635.391   10.439 -13.54669 12.00166 
1 1 1   10    8    8 o  299.765   3.6524  5654.45  116.771  5610.84  132.701  5804.08  245.805  297.246   3.5154  302.284   6.4032 -5.037354 7.304756 
1 1 1   10    8    9 o  515.549   5.1338 16798.82  289.273 16716.71  332.610 17053.76  586.088  513.039   5.1051  518.060   8.9085 -5.020935 10.26762 
1 1 1   10    8   10 o  355.641   5.2411  8032.85  236.635  7759.34  331.967  8315.39  337.405  349.486   7.4798  361.795   7.3436 -12.30899 10.48215 
1 1 1   10    8   11 o  773.467   8.8846 38027.82  872.386 38630.10  1253.72 37462.46  1214.68  779.392   12.667  767.542   12.462 11.85052 17.76926 
1 1 1   10    8   12 f  116.465   7.0039  858.684  102.687  887.288  156.980  837.291  135.763  118.146   10.463  114.783   9.3138 3.363892 14.00775 
1 1 1   10    8   13 o  619.724   7.3445 24382.55  577.405 25109.08  840.126 23732.14  794.899  628.452   10.527  610.997   10.245 17.45453 14.68892 
1 1 1   10    8   14 o  392.047   5.3698  9768.71  267.321  9674.23  379.353  9861.90  376.758  390.161   7.6563  393.933   7.5312 -3.771698 10.73956 
1 1 1   10    8   15 o  517.359   6.3762 17023.69  418.850 16698.64  586.094 17362.98  598.797  512.314   9.0085  522.404   9.0260 -10.08954 12.75234 
1 1 1   10    8   16 o  500.238   6.2459 15929.93  396.618 16132.15  570.451 15740.72  551.818  503.295   8.9252  497.182   8.7398 6.112885 12.49175 
1 1 1   10    8   17 o  263.964   4.7801  4412.36  159.734  4698.42  237.659  4176.66  215.726  271.719   6.8874  256.209   6.6303 15.51019 9.560172 
1 1 1   10    8   18 o  260.901   4.7760  4335.50  157.951  4281.11  229.630  4384.35  217.608  259.326   6.9728  262.476   6.5284 -3.149841 9.551950 
1 1 1   10    8   19 o   60.411   11.614  246.591   92.233  196.994  140.069  284.560  122.554   55.605   17.655   65.218   15.096 -9.613132 23.22882 
1 1 1   10    8   20 o  284.222   4.9066  5137.87  176.557  5251.90  261.299  5042.07  239.500  287.088   7.1671  281.357   6.7030 5.731201 9.813169 
1 1 1   10    8   21 o  231.620   5.2832  3420.30  155.344  3469.03  223.278  3374.58  216.267  233.209   7.5392  230.031   7.4033 3.177826 10.56638 
1 1 1   10    8   22 o  207.081   5.1619  2738.66  134.455  2721.34  204.385  2751.88  178.525  206.430   7.7965  207.731   6.7673 -1.301529 10.32386 
1 1 1   10    8   23 o  219.706   5.0606  3086.64  140.966  2978.64  202.902  3187.40  195.989  215.943   7.3989  223.468   6.9062 -7.524750 10.12123 
1 1 1   10    8   24 o  396.862   5.6614  9965.70  282.944 10948.04  435.552  9248.46  372.169  413.476   8.2949  380.249   7.7072 33.22690 11.32282 
1 1 1   10    8   25 o  186.296   6.1813  2200.28  144.205  2384.74  226.927  2075.33  186.764  192.641   9.2759  179.950   8.1727 12.69150 12.36268 
1 1 1   10    8   26 o  166.640   7.1090  1772.61  148.619  1924.63  232.293  1667.26  193.375  172.459   10.607  160.821   9.4685 11.63794 14.21798 
1 1 1   10    8   27 o  231.296   6.1125  3502.96  174.653  3210.07  274.421  3702.37  226.432  222.564   9.7092  240.028   7.4284 -17.46446 12.22501 
1 1 1   10    8   28 o   58.478   13.684  213.455  115.631  339.053  196.308  146.727  143.088   68.050   20.795   48.906   17.792 19.14478 27.36813 
1 1 1   10    8   29 o   33.515   11.547 -339.8302  145.745 -136.9296  240.077 -458.2496  183.409   40.763   18.992   26.267   13.139 14.49604 23.09418 
1 1 1   10    8   30 o   43.545   12.582 -11.0125  123.358  249.463  192.342 -193.0147  160.779   57.247   20.659   29.844   14.367 27.40294 25.16303 
1 1 1   10    8   31 o   50.429   13.380  173.335  112.312  275.800  190.167  118.450  139.179   57.436   20.563   43.422   17.126 14.01384 26.76056 
1 1 1   10   10    0 o  290.921   3.0357  5369.77  112.079  5508.30  162.167  5243.09  155.077  294.509   4.3360  287.332   4.2500 7.176331 6.071477 
1 1 1   10   10    1 o  373.975   4.3041  8733.36  189.568  8493.86  227.234  9281.60  343.795  365.706   4.8929  382.244   7.0824 -16.53754 8.608180 
1 1 1   10   10    2 o  678.422   5.5272 29221.70  475.987 28641.50  661.433 29844.90  685.506  671.444   7.7571  685.399   7.8757 -13.95508 11.05437 
1 1 1   10   10    3 o  412.944   3.7432 10829.28  196.285 10910.57  279.473 10750.14  275.742  414.473   5.3096  411.415   5.2777 3.057983 7.486416 
1 1 1   10   10    4 f  376.082   4.4198  9155.89  202.183  9636.98  255.722  8353.73  330.208  389.533   5.1695  362.632   7.1704 26.90143 8.839590 
1 1 1   10   10    5 o  396.159   4.3607 10054.81  194.068 10155.40  227.233  9783.66  373.070  399.885   4.4746  392.433   7.4860 7.451996 8.721361 
1 1 1   10   10    6 o  603.979   5.8787 23036.95  389.748 22899.81  448.974 23456.31  785.130  600.447   5.8880  607.511   10.177 -7.064514 11.75735 
1 1 1   10   10    7 o  933.238   8.5558 55812.63  889.161 56291.37  1035.74 54471.16  1733.75  941.222   8.6653  925.254   14.755 15.96857 17.11160 
1 1 1   10   10    8 o  496.886   5.0396 15841.55  277.308 16008.96  322.219 15363.44  544.546  502.059   5.0538  491.714   8.7206 10.34485 10.07915 
1 1 1   10   10    9 o  772.409   7.2360 37721.55  611.283 37528.18  703.076 38320.45  1237.32  768.582   7.2033  776.235   12.552 -7.653320 14.47205 
1 1 1   10   10   10 o  782.841   7.2763 39447.40  640.735 40029.49  751.767 37901.77  1225.01  793.747   7.4580  771.934   12.496 21.81329 14.55266 
1 1 1   10   10   11 o  926.673   10.465 54585.68  1229.81 52837.66  1686.93 56568.60  1796.70  910.907   14.583  942.438   15.012 -31.53107 20.92909 
1 1 1   10   10   12 o  573.308   6.9116 20888.19  502.784 21387.11  729.070 20435.74  694.293  579.815   9.9015  566.800   9.6457 13.01526 13.82317 
1 1 1   10   10   13 o  758.151   8.7379 36655.04  841.133 37020.73  1203.18 36305.47  1176.36  761.827   12.436  754.475   12.278 7.351563 17.47589 
1 1 1   10   10   14 o  211.943   5.1039  2852.68  136.497  2907.40  205.819  2809.73  182.372  213.730   7.5830  210.156   6.8334 3.574173 10.20771 
1 1 1   10   10   15 o  258.632   4.8964  4235.52  160.101  4474.79  240.337  4044.63  214.665  265.147   7.1377  252.116   6.7047 13.03036 9.792858 
1 1 1   10   10   16 f  550.871   6.7231 19361.24  470.315 19208.13  664.846 19514.61  665.407  548.682   9.5416  553.060   9.4741 -4.378845 13.44623 
1 1 1   10   10   17 o  572.597   6.9546 20932.74  505.546 21177.80  725.821 20701.84  704.553  575.821   9.9258  569.374   9.7440 6.446716 13.90924 
1 1 1   10   10   18 o  307.210   5.0229  6023.06  195.619  5775.01  281.116  6255.94  272.385  301.030   7.3536  313.390   6.8442 -12.36032 10.04577 
1 1 1   10   10   19 o  112.398   7.2370  815.394  101.056  773.946  158.129  844.009  131.387  109.861   11.334  114.934   9.0017 -5.072960 14.47391 
1 1 1   10   10   20 o  156.465   6.0821  1554.81  120.457  1699.65  179.209  1435.44  162.689  163.063   8.6542  149.866   8.5483 13.19704 12.16419 
1 1 1   10   10   21 o  236.689   5.1615  3580.57  154.883  3340.49  218.908  3821.21  219.167  228.694   7.5376  244.685   7.0533 -15.99138 10.32296 
1 1 1   10   10   22 o  255.936   5.3325  4189.65  172.970  4135.44  251.793  4238.08  238.021  254.310   7.7965  257.563   7.2770 -3.252625 10.66495 
1 1 1   10   10   23 o   72.292   12.338  353.351  112.937  450.176  166.949  271.658  153.350   81.350   16.719   63.233   18.148 18.11682 24.67519 
1 1 1   10   10   24 o  250.070   5.6589  4006.82  177.411  4021.98  273.800  3995.86  232.923  250.288   8.6142  249.851   7.3410 0.4369354 11.31787 
1 1 1   10   10   25 o   97.941   11.854  690.801  133.089  525.737  220.457  785.455  166.942   86.121   20.460  109.760   11.977 -23.63967 23.70807 
1 1 1   10   10   26 o  192.418   6.4493  2393.26  152.820  2417.19  248.845  2378.77  193.635  192.730   10.167  192.105   7.9372 0.6255798 12.89850 
1 1 1   10   10   27 o  104.321   10.332  742.672  134.699  711.458  206.650  765.731  177.615  101.737   15.995  106.904   13.083 -5.166443 20.66399 
1 1 1   10   10   28 o  112.355   14.149  1111.03  183.547  443.925  290.554  1554.03  236.774   73.123   25.485  151.588   12.300 -78.46556 28.29745 
1 1 1   10   10   29 o  175.993   7.1665  2108.97  157.351  1736.13  227.650  2450.05  217.736  159.803   11.218  192.183   8.9215 -32.38029 14.33290 
1 1 1   10   12    0 o  793.545   6.3831 40000.56  643.075 39375.66  896.651 40662.45  922.803  787.170   8.9697  799.920   9.0842 -12.75067 12.76625 
1 1 1   10   12    1 o  717.435   7.1709 32537.26  611.090 32216.69  741.017 33218.69  1080.38  712.068   8.1946  722.801   11.770 -10.73218 14.34182 
1 1 1   10   12    2 o  360.942   4.3340  8147.15  182.707  8600.44  335.859  7956.62  217.745  367.936   7.1880  353.947   4.8443 13.98901 8.668001 
1 1 1   10   12    3 o  431.946   3.9045 11847.04  214.112 11989.72  307.341 11712.48  298.455  434.471   5.5703  429.421   5.4729 5.050201 7.809054 
1 1 1   10   12    4 o  500.532   4.3235 15895.98  274.596 16348.25  398.236 15486.04  379.142  507.309   6.1814  493.754   6.0466 13.55469 8.647079 
1 1 1   10   12    5 o   57.738   7.0853  221.217   49.206  189.186   76.362  243.960   64.347   53.516   11.573   61.961   8.1776 -8.445683 14.17069 
1 1 1   10   12    6 o  194.804   4.1559  2368.61   94.124  2308.79  111.739  2514.75  174.653  190.660   4.6150  198.949   6.9129 -8.289261 8.311776 
1 1 1   10   12    7 o  550.549   5.4502 19219.61  331.441 19174.67  383.358 19352.62  659.573  549.401   5.4946  551.698   9.4142 -2.296387 10.90038 
1 1 1   10   12    8 o  306.629   3.9641  6033.77  135.228  6099.71  157.528  5849.07  263.643  309.893   4.0029  303.366   6.8434 6.526886 7.928122 
1 1 1   10   12    9 o  168.254   4.1498  1836.45   73.380  1866.66   83.409  1732.98  154.344  171.424   3.8315  165.084   7.3622 6.340714 8.299510 
1 1 1   10   12   10 o  386.112   4.2580  9609.17  182.186  9750.58  212.007  9209.87  356.251  391.743   4.2616  380.481   7.3730 11.26175 8.516013 
1 1 1   10   12   11 o  303.577   3.8415  5622.81  122.011  5452.54  136.889  6280.90  269.118  292.953   3.6795  314.200   6.7446 -21.24786 7.683037 
1 1 1   10   12   12 o  352.237   4.1349  7974.87  159.424  8058.40  184.170  7725.17  318.420  356.105   4.0725  348.370   7.1975 7.734894 8.269790 
1 1 1   10   12   13 o  350.092   5.2011  7798.45  230.992  7930.03  335.575  7679.96  318.442  352.878   7.4884  347.305   7.2201 5.572754 10.40216 
1 1 1   10   12   14 o  297.699   4.8815  5590.52  183.459  6121.32  278.550  5183.88  243.807  310.042   7.0746  285.355   6.7279 24.68710 9.762975 
1 1 1   10   12   15 o  206.570   5.1137  2705.05  131.476  2785.74  209.105  2652.29  169.078  209.040   7.8769  204.100   6.5233 4.940735 10.22737 
1 1 1   10   12   16 o  243.609   5.0388  3778.80  154.724  3807.12  233.874  3756.75  206.331  244.368   7.5363  242.850   6.6904 1.517853 10.07756 
1 1 1   10   12   17 f  297.188   5.0203  5637.37  189.219  5466.71  272.001  5797.41  263.400  292.788   7.3154  301.589   6.8774 -8.801178 10.04061 
1 1 1   10   12   18 o  113.746   7.9824  826.871  114.796  876.077  172.306  787.599  153.935  116.733   11.623  110.759   10.944 5.973808 15.96472 
1 1 1   10   12   19 o  327.153   5.2237  6827.01  216.584  6956.63  317.829  6714.64  295.932  329.998   7.5841  324.308   7.1855 5.690430 10.44750 
1 1 1   10   12   20 o  189.256   6.0210  2313.06  142.660  2161.87  216.703  2428.70  189.522  183.600   9.2943  194.912   7.6567 -11.31233 12.04198 
1 1 1   10   12   21 o  113.702   9.1491  838.621  130.454  840.481  200.932  837.265  171.520  113.618   13.926  113.786   11.870 -0.1682129 18.29825 
1 1 1   10   12   22 o  236.935   5.6350  3601.97  169.306  3394.49  240.184  3806.89  238.693  230.076   8.2204  243.795   7.7097 -13.71944 11.27009 
1 1 1   10   12   23 o  113.126   9.5610  849.102  134.611  661.479  190.534  1036.08  190.204  100.086   14.991  126.167   11.871 -26.08106 19.12191 
1 1 1   10   12   24 o  200.605   7.9914  2591.59  203.584   0.0000   0.0000  2591.59  203.584  ?   ?   200.605   7.9914      ?      ? 
1 1 1   10   12   25 o   78.279   13.326  443.949  130.779  448.544  189.521  439.772  180.693   78.528   19.171   78.031   18.514 0.4975357 26.65140 
1 1 1   10   12   26 o  183.548   7.2218  2203.03  163.602  2321.82  267.231  2131.82  206.909  186.689   11.272  180.407   9.0313 6.282059 14.44353 
1 1 1   10   14    0 o  375.359   3.6030  8952.24  171.698  8992.59  246.052  8913.95  239.709  376.180   5.1505  374.538   5.0398 1.642090 7.206064 
1 1 1   10   14    1 o  228.671   3.1909  3323.29   92.360  3310.37  136.082  3334.33  125.761  228.253   4.6947  229.089   4.3228 -0.8364258 6.381732 
1 1 1   10   14    2 o  199.224   3.1949  2524.29   80.567  2490.77  118.407  2553.19  109.942  197.985   4.7094  200.463   4.3187 -2.477417 6.389803 
1 1 1   10   14    3 f  107.359   4.5261  738.331   60.803  698.677   92.952  767.989   80.386  104.805   6.9839  109.912   5.7591 -5.106499 9.052211 
1 1 1   10   14    4 o  760.215   7.5746 36810.39  688.112 36709.13  840.793 37015.77  1197.47  759.211   8.7206  761.218   12.387 -2.006653 15.14913 
1 1 1   10   14    5 o  290.213   3.2550  5307.63  119.122  5721.31  181.818  4996.51  157.677  300.028   4.7720  280.399   4.4281 19.62875 6.509949 
1 1 1   10   14    6 o  221.097   3.0915  3110.56   86.679  3011.78  124.662  3203.01  120.605  217.689   4.5094  224.506   4.2302 -6.817123 6.182987 
1 1 1   10   14    7 o  280.741   3.1728  5007.00  113.007  4707.70  158.015  5320.36  161.680  272.152   4.5720  289.330   4.4003 -17.17807 6.345568 
1 1 1   10   14    8 o  148.071   4.5615  1393.39   76.110  1391.37   89.024  1398.85  146.720  147.945   4.7384  148.197   7.7960 -0.2527313 9.123029 
1 1 1   10   14    9 o  318.124   4.0018  6548.21  144.855  6693.94  171.486  6185.24  270.640  324.536   4.1609  311.713   6.8369 12.82349 8.003516 
1 1 1   10   14   10 o   71.456   7.2316  303.767   55.793  285.500   63.050  369.705  119.787   66.948   7.4160   75.965   12.417 -9.017342 14.46312 
1 1 1   10   14   11 o  217.413   3.7506  2830.90   88.549  2681.85  100.451  3350.43  187.541  205.419   3.8507  229.408   6.4374 -23.98888 7.501189 
1 1 1   10   14   12 o  371.616   4.2110  8687.27  168.886  8596.76  192.814  8985.54  350.027  367.740   4.1288  375.492   7.3405 -7.751801 8.421943 
1 1 1   10   14   13 o   80.195   7.5447  424.446   38.774  425.615   40.349  410.342  140.121   81.826   3.8830   78.565   14.581 3.261299 15.08931 
1 1 1   10   14   14 o  200.173   5.3748  2565.82  135.871  2453.62  200.411  2661.27  184.835  196.051   8.0496  204.296   7.1244 -8.245575 10.74955 
1 1 1   10   14   15 o  228.262   5.2933  3293.99  151.856  3538.39  235.315  3119.57  198.790  235.387   7.8721  221.139   7.0787 14.24802 10.58667 
1 1 1   10   14   16 o   84.812   11.036  480.040  115.120  443.852  171.969  509.426  154.965   80.920   17.261   88.703   13.757 -7.782951 22.07247 
1 1 1   10   14   17 o  179.242   6.5770  2058.18  149.581  2102.15  216.869  2018.28  206.584  181.041   9.4328  177.442   9.1678 3.599365 13.15395 
1 1 1   10   14   18 o  346.558   5.8101  7634.41  253.825  8140.48  387.601  7254.45  335.858  356.413   8.5635  336.703   7.8547 19.71039 11.62029 
1 1 1   10   14   19 o   72.485   11.137  298.902  119.564  710.261  186.359   11.117  155.874  104.360   14.062   40.610   17.274 63.74968 22.27356 
1 1 1   10   14   20 o  270.306   5.4859  4667.75  187.727  4869.26  278.793  4500.59  253.920  275.557   7.9670  265.055   7.5437 10.50214 10.97177 
1 1 1   10   14   21 o  292.683   5.5368  5496.68  205.201  5575.03  302.797  5430.14  279.052  294.494   8.0965  290.872   7.5545 3.621643 11.07356 
1 1 1   10   14   22 o   86.085   11.875  470.961  124.725  743.117  207.258  316.440  156.169  105.256   15.505   66.914   17.989 38.34209 23.74956 
1 1 1   10   14   23 o  168.710   8.1379  1843.32  174.354   0.0000   0.0000  1843.32  174.354  ?   ?   168.710   8.1379      ?      ? 
1 1 1   10   16    0 o  177.050   3.4261  2003.52   76.557  1877.22  112.485  2112.51  104.492  171.808   5.1555  182.291   4.5138 -10.48271 6.852274 
1 1 1   10   16    1 o  253.692   3.2459  4091.33  104.374  4097.65  152.429  4085.75  143.216  253.866   4.7281  253.517   4.4484 0.3493805 6.491780 
1 1 1   10   16    2 o  142.206   3.9134  1290.46   70.269  1244.97  104.064  1328.58   95.269  139.880   5.8582  144.533   5.1905 -4.653259 7.826861 
1 1 1   10   16    3 o  253.879   3.2623  4095.24  105.053  4152.58  152.800  4043.85  144.668  255.556   4.7083  252.202   4.5170 3.353989 6.524616 
1 1 1   10   16    4 o  346.578   3.5136  7615.32  154.280  7969.44  227.841  7315.45  209.661  353.984   5.0684  339.171   4.8677 14.81375 7.027287 
1 1 1   10   16    5 o  200.662   3.2948  2562.83   83.603  2532.68  123.696  2588.18  113.435  199.561   4.8809  201.763   4.4272 -2.202774 6.589654 
1 1 1   10   16    6 o  140.460   3.6547  1238.87   64.710  1391.68   99.139  1125.44   85.414  147.904   5.2782  133.017   5.0564 14.88742 7.309360 
1 1 1   10   16    7 o  272.775   4.7081  4732.06  163.092  4732.06  163.092   0.0000   0.0000  272.775   4.7081  ?   ?       ?      ? 
1 1 1   10   16    8 o  314.445   3.4079  6286.90  135.822  6328.65  198.668  6250.27  186.107  315.408   4.9600  313.482   4.6749 1.926270 6.815862 
1 1 1   10   16    9 o  301.162   4.0576  5773.22  139.996  5771.49  165.493  5777.57  262.517  301.257   4.3258  301.066   6.8662 0.1911316 8.115260 
1 1 1   10   16   10 o  293.019   4.0671  5546.22  136.506  5653.95  162.181  5284.44  252.809  298.160   4.2832  287.878   6.9152 10.28198 8.134265 
1 1 1   10   16   11 o  394.435   4.4735  9973.43  198.154 10039.24  231.819  9794.89  381.810  397.223   4.5955  391.648   7.6767 5.575897 8.947094 
1 1 1   10   16   12 o   38.107   10.327   68.962   60.900   77.493   67.989   34.339  136.975   36.109   12.340   40.105   16.563 -3.996574 20.65487 
1 1 1   10   16   13 o  125.571   6.2432  1058.02   81.463  1097.35   92.783  925.693  170.188  131.234   5.5673  119.907   11.176 11.32674 12.48631 
1 1 1   10   16   14 o  165.520   5.5238  1631.72   74.272  1597.59   78.621  1914.90  226.458  158.476   3.9066  172.563   10.334 -14.08684 11.04761 
1 1 1   10   16   15 o  276.318   5.9483  4889.76  207.772  4925.81  309.461  4860.18  280.358  277.128   8.7932  275.509   8.0131 1.618286 11.89667 
1 1 1   10   16   16 o  228.669   5.7327  3310.12  163.732  3570.89  259.829  3138.36  210.866  235.896   8.6734  221.443   7.4984 14.45354 11.46531 
1 1 1   10   16   17 o  137.382   7.8727  1232.64  136.049  1114.19  199.996  1334.66  185.614  130.964   12.025  143.801   10.164 -12.83661 15.74532 
1 1 1   10   16   18 o   55.192   13.554  152.831  127.714  328.443  188.329   3.3073  173.777   68.516   20.241   41.869   18.033 26.64676 27.10883 
1 1 1   10   16   19 o   94.883   11.507  603.862  132.473  831.932  200.593  427.453  176.417  111.976   14.106   77.790   18.184 34.18608 23.01437 
1 1 1   10   18    0 o  111.801   4.9865  798.684   70.585  779.503  103.204  815.542   96.753  110.515   7.3535  113.088   6.7371 -2.572350 9.973096 
1 1 1   10   18    1 f  262.471   3.4048  4384.64  113.286  4373.91  165.089  4394.19  155.739  262.150   4.9590  262.792   4.6667 -0.6423950 6.809510 
1 1 1   10   18    2 f  120.341   4.7379  918.331   71.991  970.677  108.887  877.681   95.955  123.351   6.9512  117.332   6.4398 6.018524 9.475759 
1 1 1   10   18    3 o  255.220   3.3732  4138.45  109.100  4247.68  160.373  4044.35  148.851  258.335   4.8884  252.105   4.6494 6.230118 6.746362 
1 1 1   10   18    4 o   78.931   7.4454  398.485   74.153  339.534  101.645  465.556  108.419   72.674   11.014   85.189   10.022 -12.51498 14.89082 
1 1 1   10   18    5 o  242.938   3.3771  3727.17  103.485  4000.61  157.673  3520.24  137.163  250.683   4.9528  235.194   4.5923 15.48845 6.754256 
1 1 1   10   18    6 o   63.473   8.0916  263.381   62.865  266.649   97.591  261.064   82.188   63.184   12.604   63.762   10.150 -0.5777359 16.18325 
1 1 1   10   18    7 o  372.142   5.5239  8824.04  261.055  8824.04  261.055   0.0000   0.0000  372.142   5.5239  ?   ?       ?      ? 
1 1 1   10   18    8 o  286.846   5.4540  5242.76  198.676  5242.76  198.676   0.0000   0.0000  286.846   5.4540  ?   ?       ?      ? 
1 1 1   10   18    9 o  287.331   7.8978  5283.29  288.183   0.0000   0.0000  5283.29  288.183  ?   ?   287.331   7.8978      ?      ? 
1 1 1   10   18   10 o  144.346   7.0482  1300.70  127.256  1071.58  164.815  1638.94  200.251  129.053   10.057  159.638   9.8778 -30.58533 14.09633 
1 1 1   10   18   11 o   32.698   9.7825 -16.7759   78.237   69.281   91.145 -257.7197  152.509   37.491   14.098   27.904   13.566 9.586525 19.56496 
1 1 1   10   18   12 o  189.195   4.8150  2360.50   99.110  2433.39  114.836  2147.70  196.213  195.450   4.6266  182.939   8.4459 12.51161 9.630085 
1 1 1   10   18   13 o  159.680   5.2381  1605.93   88.071  1584.32   99.478  1684.26  189.412  157.636   4.9693  161.724   9.2226 -4.087723 10.47620 
1 1 1   10   18   14 o  192.883   4.6734  2354.53   89.564  2338.08   99.306  2426.27  207.346  191.589   4.0816  194.178   8.4085 -2.589417 9.346763 
1 1 1   10   18   15 o  132.744   5.7747  1013.19   57.084  986.855   59.686  1295.56  195.458  124.473   3.7759  141.014   10.915 -16.54086 11.54942 
1 1 1   10   20    0 o  186.496   4.2287  2222.32  100.033  2135.48  142.947  2305.67  140.035  182.893   6.1546  190.099   5.8007 -7.205948 8.457388 
1 1 1   10   20    1 o  199.643   4.1780  2560.62  105.149  2356.01  154.264  2738.17  143.704  192.071   6.3245  207.214   5.4610 -15.14397 8.355927 
1 1 1   10   20    2 o  178.489   4.2646  2034.65   95.903  2026.09  144.835  2041.32  127.978  178.094   6.4039  178.883   5.6336 -0.7895508 8.529223 
1 1 1   10   20    3 o  294.194   3.7105  5523.82  138.488  5315.95  197.559  5724.66  194.189  288.714   5.3883  299.675   5.1027 -10.96054 7.420960 
1 1 1   10   20    4 o  155.630   4.6101  1526.37   90.106  1691.27  140.574  1411.37  117.393  162.618   6.8070  148.642   6.2191 13.97647 9.220209 
1 1 1   10   20    5 o  251.149   3.6871  4026.93  116.880  3984.35  174.713  4061.43  157.250  249.882   5.5057  252.415   4.9057 -2.533173 7.374172 
1 1 1   10   20    6 o   95.759   6.6375  581.883   78.833  633.225  128.033  550.535  100.046   98.981   10.186   92.538   8.5134 6.443169 13.27506 
1 1 1   10   20    7 o  151.785   5.0128  1477.08   96.419  1485.95  132.351  1467.05  140.749  152.318   6.8422  151.251   7.3277 1.067566 10.02555 
1 1 1   10   20    8 o  170.609   3.9743  1854.33   85.129  1895.29  131.247  1824.59  111.847  172.156   6.0033  169.062   5.2096 3.093475 7.948539 
1 1 1   10   20    9 o  134.406   4.6037  1169.81   77.549  1064.95  116.218  1253.99  104.119  128.801   7.1052  140.010   5.8559 -11.20911 9.207350 
1 1 1   10   20   10 o  165.286   6.1222  1834.07  107.411  1895.93  123.314  1639.58  218.659  172.134   5.6411  158.437   10.868 13.69745 12.24449 
1 1 1   10   20   11 o  169.381   5.5832  1808.37  101.286  1770.98  115.066  1937.02  213.444  166.332   5.4475  172.430   9.7475 -6.098160 11.16642 
1 1 1   10   20   12 o   52.135   23.934 -110.0101  361.014 -110.0101  361.014   0.0000   0.0000   52.135   23.934  ?   ?       ?      ? 
1 1 1   10   22    0 o   89.007   7.3137  502.543   81.152  621.230  130.825  428.309  103.464   97.185   10.600   80.830   10.079 16.35474 14.62739 
1 1 1   10   22    1 o   43.035   11.478   97.167   83.952  135.857  135.339   72.968  107.032   47.204   17.284   38.865   15.109 8.339005 22.95693 
1 1 1   10   22    2 o  190.917   4.3581  2351.69  104.458  2287.42  158.990  2400.50  138.559  188.421   6.6445  193.414   5.6412 -4.992844 8.716242 
1 1 1   10   22    3 o   30.755   10.062 -91.7411   89.328 -44.1664  145.635 -120.4354  113.103   34.965   15.713   26.544   12.574 8.421713 20.12485 
1 1 1   10   22    4 o   28.869   9.4605 -79.0278   81.475 -138.2821  134.734 -44.8699  102.297   28.971   13.724   28.767   13.025 0.2038860 18.92109 
1 1 1   10   22    5 o   99.882   7.9481  692.208   93.728  574.795  156.602  757.744  116.997   92.025   13.400  107.740   8.5511 -15.71452 15.89615 
1 1 1   10   22    6 o   93.224   8.8654  559.831  102.235  720.969  169.649  467.941  128.111  103.067   12.961   83.381   12.099 19.68639 17.73079 
1 1 1   10   22    7 o  209.573   10.769  2929.88  286.602  2929.88  286.602   0.0000   0.0000  209.573   10.769  ?   ?       ?      ? 
1 1 1   10   22    8 o  110.789   10.015  821.509  137.962  1018.57  224.889  702.597  174.696  120.700   14.672  100.878   13.637 19.82185 20.03051 
1 1 1   10   22    9 o  309.277   5.3513  6198.46  209.205  5496.83  282.098  7055.92  311.857  289.884   7.6630  328.669   7.4717 -38.78500 10.70268 
1 1 1   10   24    0 o   52.120   12.030  206.033   88.280  254.733  149.784  180.111  109.278   55.752   18.305   48.488   15.615 7.263840 24.06019 
1 1 1   10   24    1 o   71.095   10.280  414.341   93.053  189.083  139.701  593.982  124.756   49.339   17.628   92.850   10.580 -43.51043 20.55981 
1 1 1   10   24    2 o   71.141   12.802  385.483  101.239  480.860  217.263  359.030  114.421   72.568   21.811   69.714   13.411 2.854317 25.60472 
1 1 1   10   24    3 o   81.698   12.411  583.864  133.873  281.393  200.884  825.518  179.556   56.581   20.998  106.814   13.237 -50.23297 24.82187 
1 1 1   10   24    4 o   84.544   19.997  617.162  211.336  617.162  211.336   0.0000   0.0000   84.544   19.997  ?   ?       ?      ? 
1 1 1   11    1    0 f  487.408   4.1159 15080.45  254.651 14779.04  353.856 15404.22  366.751  482.361   5.7767  492.455   5.8644 -10.09399 8.231734 
1 1 1   11    1    1 o  300.747   2.9056  5739.75  110.924  5586.33  154.181  5904.36  159.706  296.585   4.0936  304.910   4.1245 -8.324921 5.811103 
1 1 1   11    1    2 o  920.446   7.2720 53838.62  849.743 53007.51  1183.48 54723.01  1220.82  913.126   10.206  927.767   10.362 -14.64099 14.54403 
1 1 1   11    1    3 o  915.191   7.2368 53248.65  841.035 53570.22  1196.44 52934.53  1182.49  917.919   10.264  912.463   10.205 5.455750 14.47355 
1 1 1   11    1    4 o  445.693   3.8352 12617.06  217.063 12703.32  308.735 12532.74  305.241  447.199   5.4364  444.187   5.4113 3.011963 7.670455 
1 1 1   11    1    5 o  622.451   5.0800 24587.73  401.208 23925.74  553.486 25320.69  582.404  613.638   7.1026  631.263   7.2650 -17.62537 10.16008 
1 1 1   11    1    6 f  516.940   4.3299 16967.94  284.149 16668.64  395.636 17286.80  408.360  512.236   6.0820  521.644   6.1644 -9.408264 8.659734 
1 1 1   11    1    7 o  574.612   4.7407 20936.49  345.466 21725.94  504.784 20240.95  473.812  584.778   6.7973  564.448   6.6101 20.32996 9.481364 
1 1 1   11    1    8 o  612.665   5.0157 23811.98  389.818 24596.11  567.516 23111.55  536.372  622.195   7.1825  603.135   7.0028 19.06024 10.03133 
1 1 1   11    1    9 o  294.430   2.9195  5502.10  109.128  5354.72  152.120  5658.37  156.639  290.371   4.1253  298.490   4.1323 -8.119293 5.839019 
1 1 1   11    1   10 o  812.374   6.4800 41849.84  667.383 43487.53  978.809 40427.03  912.337  827.181   9.3179  797.568   9.0076 29.61298 12.95999 
1 1 1   11    1   11 o  1118.78   8.7802 79601.71  1247.38 79054.31  1752.21 80164.18  1776.16  1114.89   12.376  1122.68   12.458 -7.786499 17.56033 
1 1 1   11    1   12 o  786.600   6.2944 39317.02  628.745 39128.79  885.196 39508.68  893.218  784.701   8.8830  788.499   8.9203 -3.797485 12.58882 
1 1 1   11    1   13 f  1000.25   7.8922 63552.10  1001.94 62285.36  1389.17 64925.50  1446.47  989.881   11.051  1010.62   11.271 -20.73950 15.78433 
1 1 1   11    1   14 o  720.619   5.8403 32901.28  533.364 31634.14  726.580 34382.01  785.435  705.623   8.1084  735.615   8.4078 -29.99170 11.68060 
1 1 1   11    1   15 o  260.592   3.7467  4221.29  116.990  4586.76  206.213  4047.83  142.066  268.722   6.0428  252.462   4.4311 16.25984 7.493322 
1 1 1   11    1   16 o  646.362   6.4924 26559.12  503.056 26576.98  617.012 26523.71  868.802  646.778   7.5121  645.947   10.591 0.8306885 12.98483 
1 1 1   11    1   17 o  472.451   4.1002 14178.22  245.993 14100.35  346.327 14257.50  349.469  471.142   5.7884  473.760   5.8086 -2.617462 8.200315 
1 1 1   11    1   18 f  370.104   3.4930  8695.99  164.096  8886.68  236.477  8518.89  227.894  374.013   4.9788  366.195   4.9005 7.818573 6.985959 
1 1 1   11    1   19 o  655.098   5.3818 27292.21  447.570 27798.18  643.336 26817.62  623.070  660.969   7.6644  649.226   7.5572 11.74353 10.76360 
1 1 1   11    1   20 o  112.050   3.8826  794.120   55.101  869.174   81.357  730.519   74.892  116.916   5.4795  107.185   5.5021 9.731026 7.765148 
1 1 1   11    1   21 f  246.905   3.0797  3874.86   96.553  3795.90  136.204  3954.61  136.892  244.375   4.3889  249.436   4.3216 -5.060684 6.159407 
1 1 1   11    1   22 o   29.624   8.4834   23.414   49.559   21.714   68.551   25.275   71.732   29.152   11.841   30.096   12.152 -0.9434700 16.96684 
1 1 1   11    1   23 o  176.188   3.3243  1973.48   74.242  1814.57  103.685  2140.68  106.354  168.904   4.8339  183.472   4.5646 -14.56783 6.648513 
1 1 1   11    1   24 o  198.548   3.3216  2506.21   83.722  2578.55  120.334  2438.33  116.557  201.322   4.7067  195.773   4.6882 5.549072 6.643242 
1 1 1   11    1   25 o  462.059   4.1692 13600.82  244.570 13805.68  350.969 13407.45  340.996  465.428   5.9380  458.690   5.8540 6.738098 8.338395 
1 1 1   11    1   26 o  292.089   5.2852  5435.24  196.043  5435.24  196.043   0.0000   0.0000  292.089   5.2852  ?   ?       ?      ? 
1 1 1   11    1   27 o   65.128   9.0609  282.746   72.159  249.801   98.431  321.023  106.097   60.892   13.116   69.365   12.504 -8.472492 18.12177 
1 1 1   11    1   28 o  256.216   3.5131  4185.17  114.297  4153.26  160.401  4218.08  162.908  255.228   4.9488  257.204   4.9875 -1.975891 7.026117 
1 1 1   11    1   29 o  129.273   4.8554  1069.52   79.604  1001.69  109.689  1144.99  115.706  124.944   6.9130  133.602   6.8197 -8.657661 9.710761 
1 1 1   11    1   30 o  171.708   4.0294  1891.15   87.827  1910.77  122.834  1870.64  125.625  172.647   5.6025  170.769   5.7928 1.878494 8.058817 
1 1 1   11    1   31 o   42.586   16.795   92.605  133.825   0.0000   0.0000   92.605  133.825  ?   ?    42.586   16.795      ?      ? 
1 1 1   11    1   32 o  174.442   4.2406  1969.56   93.893  2048.82  135.287  1895.90  130.417  177.829   5.9907  171.056   6.0037 6.772919 8.481292 
1 1 1   11    1   33 o   56.888   11.707  238.003   91.378  152.852  116.895  371.789  146.524   45.451   16.137   68.325   16.965 -22.87376 23.41423 
1 1 1   11    3    0 o  592.130   4.8758 22178.77  365.482 21123.53  493.607 23459.36  543.765  576.615   6.7409  607.645   7.0467 -31.02917 9.751673 
1 1 1   11    3    1 o  341.603   4.5132  7411.47  195.789  7411.47  195.789   0.0000   0.0000  341.603   4.5132  ?   ?       ?      ? 
1 1 1   11    3    2 o  405.250   3.5883 10426.98  184.627 10637.99  264.599 10226.76  257.740  409.244   5.0913  401.257   5.0580 7.987091 7.176692 
1 1 1   11    3    3 o  515.684   4.3247 16889.35  283.163 17133.41  405.117 16656.21  395.947  519.324   6.1428  512.043   6.0891 7.280823 8.649318 
1 1 1   11    3    4 o  687.260   5.5556 30015.29  484.876 30101.79  687.301 29929.58  684.145  688.245   7.8637  686.275   7.8501 1.970581 11.11130 
1 1 1   11    3    5 o  557.961   4.6219 19775.23  327.452 19993.33  467.555 19565.28  458.746  560.979   6.5631  554.943   6.5095 6.035095 9.243776 
1 1 1   11    3    6 o  1016.72   9.8649 65048.40  1181.95 67794.50  2131.04 63828.32  1420.45  1031.60   16.267  1001.84   11.165 29.76392 19.72972 
1 1 1   11    3    7 o  1124.44   10.786 80944.52  1464.35 81953.59  1815.48 79065.65  2477.29  1135.01   12.595  1113.86   17.513 21.15515 21.57226 
1 1 1   11    3    8 o  888.281   7.0482 50134.10  794.789 51009.74  1142.64 49313.35  1106.24  895.784   10.045  880.778   9.8902 15.00580 14.09641 
1 1 1   11    3    9 o  451.163   4.7779 13005.46  259.288 13167.02  320.105 12697.20  442.157  455.298   5.5363  447.027   7.7887 8.271210 9.555860 
1 1 1   11    3   10 f  654.246   5.3257 27185.71  442.365 27597.60  634.628 26796.46  616.945  659.061   7.5826  649.430   7.4806 9.631104 10.65150 
1 1 1   11    3   11 o  573.624   6.7183 20902.76  489.400   0.0000   0.0000 20902.76  489.400  ?   ?   573.624   6.7183      ?      ? 
1 1 1   11    3   12 o  769.370   7.5638 37632.63  697.189 37647.55  854.559 37602.93  1205.65  769.734   8.7423  769.006   12.346 0.7272949 15.12753 
1 1 1   11    3   13 o  689.286   5.6079 30177.88  490.802 29813.71  686.667 30558.26  701.779  685.037   7.8932  693.534   7.9681 -8.497437 11.21577 
1 1 1   11    3   14 o  448.277   3.9853 12759.53  226.840 12545.27  317.369 12983.31  324.344  444.431   5.6232  452.123   5.6490 -7.691742 7.970665 
1 1 1   11    3   15 o  308.445   3.1836  6039.94  124.679  6165.95  178.338  5919.47  174.375  311.590   4.5069  305.299   4.4976 6.291229 6.367178 
1 1 1   11    3   16 o  367.621   3.4862  8580.73  162.714  8704.69  233.187  8463.10  227.156  370.208   4.9600  365.035   4.9002 5.172424 6.972334 
1 1 1   11    3   17 o  341.990   3.3294  7404.21  144.343  7859.69  211.904  7009.91  197.157  351.769   4.7436  332.210   4.6733 19.55869 6.658891 
1 1 1   11    3   18 o  356.686   3.4361  8082.96  155.638  7990.02  219.359  8177.18  220.859  354.621   4.8710  358.751   4.8478 -4.130280 6.872212 
1 1 1   11    3   19 o  501.783   4.3213 16012.27  275.362 16020.74  390.694 16003.91  388.161  501.913   6.1296  501.654   6.0930 0.2590027 8.642690 
1 1 1   11    3   20 o  339.503   3.3793  7326.43  145.673  7357.98  208.052  7296.09  204.032  340.217   4.8155  338.789   4.7423 1.428070 6.758577 
1 1 1   11    3   21 o  330.625   3.3203  6949.87  139.404  6893.37  197.292  7006.19  197.000  329.281   4.7181  331.968   4.6730 -2.687714 6.640560 
1 1 1   11    3   22 o   86.924   4.7281  481.181   52.188  472.554   73.585  489.913   74.027   86.139   6.7269   87.710   6.6461 -1.570999 9.456272 
1 1 1   11    3   23 o  151.055   3.4735  1450.82   66.582  1470.04   96.273  1433.19   92.184  152.009   4.9872  150.101   4.8361 1.908600 6.946934 
1 1 1   11    3   24 o  290.932   3.3331  5379.59  122.988  5497.64  179.294  5274.69  169.023  293.931   4.8033  287.933   4.6225 5.998901 6.666284 
1 1 1   11    3   25 f  357.261   4.7063  8141.06  194.525  8149.99  358.705  8137.34  231.526  357.044   7.9111  357.478   5.1000 -0.4344788 9.412556 
1 1 1   11    3   27 o  253.416   3.4811  4090.60  111.999  3961.06  156.972  4224.93  159.847  249.324   4.9577  257.508   4.8881 -8.183121 6.962171 
1 1 1   11    3   28 o  159.371   4.1034  1628.37   82.747  1730.10  114.834  1518.49  119.340  164.617   5.4931  154.124   6.0973 10.49294 8.206771 
1 1 1   11    3   29 o  179.928   3.6837  2068.93   84.154  2073.88  120.307  2064.18  117.757  180.128   5.2594  179.728   5.1593 0.3995056 7.367488 
1 1 1   11    3   30 o   95.660   9.9763  628.471   96.161  621.565  204.068  630.442  109.025   92.916   17.944   98.403   8.7244 -5.487633 19.95268 
1 1 1   11    3   31 o  261.307   9.9667  4529.81  330.735  4529.81  330.735   0.0000   0.0000  261.307   9.9667  ?   ?       ?      ? 
1 1 1   11    3   32 o   40.639   12.277   53.808  111.758   9.4248  180.546   81.378  142.296   40.018   17.771   41.261   16.943 -1.242714 24.55381 
1 1 1   11    3   33 o   63.615   14.007  366.066  131.248  260.467  209.037  434.786  168.630   54.908   21.179   72.321   18.335 -17.41327 28.01345 
1 1 1   11    5    0 o  629.562   7.3590 25184.70  588.347   0.0000   0.0000 25184.70  588.347  ?   ?   629.562   7.3590      ?      ? 
1 1 1   11    5    1 o  668.666   5.4607 28404.19  463.572 28087.83  646.730 28738.51  664.822  664.842   7.6600  672.490   7.7847 -7.648254 10.92139 
1 1 1   11    5    2 o  590.653   4.8942 22129.71  366.633 21500.61  503.325 22840.82  535.128  581.731   6.8132  599.576   7.0281 -17.84503 9.788419 
1 1 1   11    5    3 o  596.158   6.9431 22580.32  525.641 22580.32  525.641   0.0000   0.0000  596.158   6.9431  ?   ?       ?      ? 
1 1 1   11    5    4 o  494.481   4.2093 15516.83  264.173 15987.59  381.541 15083.34  366.128  501.677   5.9888  487.285   5.9166 14.39133 8.418545 
1 1 1   11    5    5 o  464.504   4.0036 13601.76  234.944 12743.76  313.449 14701.87  354.927  447.917   5.5105  481.091   5.8094 -33.17322 8.007198 
1 1 1   11    5    6 o  698.872   5.6601 30972.32  501.596 32151.61  734.046 29939.30  687.016  711.319   8.1261  686.426   7.8813 24.89331 11.32022 
1 1 1   11    5    7 o  541.021   4.5273 18584.21  310.936 18255.09  432.539 18936.15  447.290  536.069   6.3537  545.973   6.4512 -9.904480 9.054700 
1 1 1   11    5    8 o  1024.50   8.0997 66734.02  1053.71 66224.97  1478.32 67259.74  1502.31  1020.53   11.407  1028.46   11.503 -7.929749 16.19947 
1 1 1   11    5    9 o  516.580   4.3692 16911.77  286.168 16288.22  391.478 17627.31  419.364  506.381   6.0877  526.779   6.2688 -20.39798 8.738305 
1 1 1   11    5   10 o  641.938   5.2680 26179.22  429.443 26049.79  604.666 26310.95  610.017  640.338   7.4358  643.539   7.4643 -3.200439 10.53600 
1 1 1   11    5   11 o  123.170   2.7915  962.731   43.647  928.643   60.854  998.849   62.638  120.926   3.9627  125.414   3.9329 -4.487930 5.583076 
1 1 1   11    5   12 o  631.904   5.2216 25362.79  418.974 25107.98  587.309 25626.84  597.870  628.674   7.3564  635.134   7.4125 -6.460266 10.44324 
1 1 1   11    5   13 o  910.672   7.2835 52691.91  842.099 53456.36  1207.83 51968.85  1174.68  917.091   10.371  904.253   10.229 12.83777 14.56695 
1 1 1   11    5   14 o  366.836   3.4851  8541.97  162.309  8353.85  226.230  8741.52  232.999  362.676   4.9119  370.996   4.9455 -8.319244 6.970284 
1 1 1   11    5   15 o  340.752   3.3418  7370.90  144.548  7490.16  208.040  7259.60  200.987  343.415   4.7704  338.089   4.6812 5.325348 6.683567 
1 1 1   11    5   16 o  280.580   3.0281  4985.21  107.733  4708.42  147.643  5300.41  157.555  272.275   4.2700  288.884   4.2947 -16.60959 6.056161 
1 1 1   11    5   17 o  295.097   3.1203  5531.68  116.916  5402.18  164.641  5663.42  166.058  291.612   4.4458  298.582   4.3794 -6.969757 6.240599 
1 1 1   11    5   18 o  213.439   2.8723  2893.60   77.802  2918.52  112.323  2870.62  107.869  214.320   4.1269  212.558   3.9962 1.761612 5.744645 
1 1 1   11    5   19 o  175.621   2.8709  1959.11   64.007  1891.67   89.587  2029.44   91.481  172.533   4.0888  178.708   4.0310 -6.174423 5.741700 
1 1 1   11    5   20 o   78.325   4.2767  388.159   42.410  362.409   57.334  419.273   63.024   75.474   5.9818   81.176   6.1136 -5.701927 8.553309 
1 1 1   11    5   21 o  739.581   6.0326 34883.38  566.493 34389.85  792.079 35400.16  810.524  734.242   8.4948  744.920   8.5680 -10.67755 12.06530 
1 1 1   11    5   22 o  179.416   3.0732  2043.52   69.957  1929.90   96.913  2167.14  101.086  174.215   4.3804  184.617   4.3117 -10.40169 6.146431 
1 1 1   11    5   23 o  150.884   4.7505  1396.32   75.555  1551.00  164.629  1355.05   85.040  155.818   8.3198  145.949   4.5882 9.868332 9.501068 
1 1 1   11    5   24 o  244.916   4.2510  3837.81  110.428  3796.25  231.961  3849.99  125.570  243.801   7.4921  246.031   4.0190 -2.229828 8.501962 
1 1 1   11    5   25 f  199.039   5.6693  2530.63  118.887  2541.40  252.838  2527.57  134.708  198.894   10.010  199.184   5.3255 -0.2904968 11.33866 
1 1 1   11    5   26 o  127.038   6.9023  995.923   82.540  1102.16  207.969  976.061   89.925  130.365   12.562  123.710   5.7240 6.655396 13.80464 
1 1 1   11    5   27 o  138.863   6.4610  1155.72   87.579  1379.15  214.481  1111.01   95.941  145.800   11.584  131.927   5.7266 13.87311 12.92206 
1 1 1   11    5   28 o   57.943   11.586  225.467   74.988  215.922  180.055  227.470   82.482   57.802   20.066   58.085   11.588 -0.2823410 23.17211 
1 1 1   11    5   29 o  156.596   6.2391  1668.26   94.697  1470.71  216.432  1715.03  105.312  149.443   11.404  163.749   5.0643 -14.30595 12.47816 
1 1 1   11    5   30 o   75.060   13.524  400.814  122.388  497.792  218.826  356.670  147.638   80.221   21.171   69.899   16.833 10.32213 27.04757 
1 1 1   11    5   31 o   52.588   13.854  178.199  119.173  272.986  203.924  129.037  146.862   59.295   21.286   45.881   17.737 13.41442 27.70759 
1 1 1   11    5   32 o   72.350   13.167  436.841  119.252  388.407  206.484  461.082  146.077   66.438   21.472   78.262   15.246 -11.82404 26.33409 
1 1 1   11    7    0 o  450.779   4.5516 12790.28  225.399 12674.71  259.556 13144.74  454.565  446.728   4.5752  454.830   7.8699 -8.101959 9.103164 
1 1 1   11    7    1 o  428.842   4.6460 11659.49  239.824 11609.60  295.039 11756.66  411.740  427.526   5.4342  430.159   7.5373 -2.632874 9.292044 
1 1 1   11    7    2 o  206.276   3.0688  2546.61   69.488  2406.52   79.194  3015.28  144.855  194.669   3.2035  217.883   5.2352 -23.21429 6.137530 
1 1 1   11    7    3 o  822.698   7.6313 42484.46  678.724 41998.98  775.241 44078.11  1404.59  813.035   7.5084  832.361   13.288 -19.32538 15.26268 
1 1 1   11    7    4 o  258.383   3.4858  4265.52  107.451  4315.10  131.530  4166.05  186.307  260.666   3.9734  256.100   5.7285 4.565674 6.971659 
1 1 1   11    7    5 o  825.341   9.3327 43334.84  978.171 43194.64  1379.60 43476.57  1387.12  824.001   13.184  826.682   13.213 -2.681152 18.66543 
1 1 1   11    7    6 o  362.708   3.9384  8497.26  157.856  8648.01  183.564  8069.28  309.294  369.019   3.9171  356.398   6.8337 12.62091 7.876766 
1 1 1   11    7    7 o  880.066   8.0859 49290.45  784.308 49336.80  906.914 49152.91  1562.06  881.181   8.1044  878.951   13.994 2.230591 16.17175 
1 1 1   11    7    8 o  578.878   5.5517 21415.06  355.764 21546.77  412.834 21035.02  701.273  582.442   5.5814  575.315   9.5985 7.126404 11.10331 
1 1 1   11    7    9 o  754.829   7.0404 36272.47  587.893 36337.64  681.213 36082.29  1163.71  756.323   7.0925  753.335   12.164 2.988342 14.08078 
1 1 1   11    7   10 o  670.477   6.3621 28982.85  483.609 29511.82  570.578 27633.46  911.313  681.614   6.5917  659.341   10.884 22.27283 12.72429 
1 1 1   11    7   11 o  564.598   6.8132 20147.39  486.554 21452.56  728.641 19097.10  653.636  580.998   9.8755  548.198   9.3890 32.80048 13.62646 
1 1 1   11    7   12 o  482.180   6.0991 14763.77  373.230 15024.71  539.252 14523.82  517.097  486.263   8.7326  478.097   8.5168 8.165741 12.19814 
1 1 1   11    7   13 o  223.865   5.0220  3172.62  141.947  3283.85  214.039  3085.30  189.652  227.350   7.4134  220.380   6.7765 6.970093 10.04393 
1 1 1   11    7   14 o  926.012   10.442 54529.11  1226.94 53156.36  1694.04 56043.71  1779.41  913.795   14.598  938.229   14.934 -24.43390 20.88407 
1 1 1   11    7   15 o  215.276   4.8925  2935.50  132.507  3014.31  202.843  2876.83  175.010  217.777   7.3345  212.775   6.4768 5.001923 9.784905 
1 1 1   11    7   16 o  444.626   5.7121 12576.14  322.498 12645.90  459.731 12508.55  452.517  445.835   8.1199  443.416   8.0361 2.418854 11.42420 
1 1 1   11    7   17 o  297.114   4.8098  5607.60  181.258  5787.22  264.326  5448.16  249.031  301.589   6.9016  292.638   6.7011 8.950897 9.619562 
1 1 1   11    7   18 o  436.196   5.7117 12121.68  316.326 12054.69  451.253 12186.41  443.552  434.995   8.1688  437.397   7.9853 -2.402283 11.42340 
1 1 1   11    7   19 o  134.271   6.4731  1131.22  109.365  1296.84  169.182  1012.33  143.341  142.561   9.3449  125.981   8.9596 16.57996 12.94610 
1 1 1   11    7   20 o  308.532   5.0160  6078.54  195.781  5878.25  286.981  6252.91  267.768  303.716   7.4406  313.348   6.7290 -9.632141 10.03207 
1 1 1   11    7   21 o   98.595   9.0091  628.488  108.401  610.866  178.706  638.746  136.350   97.324   14.459   99.866   10.751 -2.541420 18.01823 
1 1 1   11    7   22 o  586.824   7.1325 22059.25  531.475 21618.49  747.337 22510.26  755.976  580.871   10.131  592.777   10.042 -11.90588 14.26502 
1 1 1   11    7   23 o  124.982   7.6019  1001.39  119.408  1020.30  183.199  987.424  157.447  125.905   11.458  124.060   9.9937 1.844818 15.20382 
1 1 1   11    7   24 o  186.055   6.0226  2190.16  140.139  2364.79  221.432  2073.48  180.998  192.061   9.0787  180.049   7.9160 12.01215 12.04517 
1 1 1   11    7   25 o  115.823   8.4976  856.860  123.990  959.654  190.663  781.533  163.215  121.704   12.336  109.942   11.690 11.76204 16.99529 
1 1 1   11    7   26 o  108.070   8.8248  744.404  119.740  867.852  187.309  659.093  155.712  115.430   12.778  100.710   12.175 14.72002 17.64960 
1 1 1   11    7   27 o  124.924   9.3327  1044.67  140.706  957.534  233.052  1094.65  176.506  120.027   15.290  129.820   10.706 -9.792747 18.66532 
1 1 1   11    7   28 f   80.227   12.528  410.829  134.424  781.728  214.772  171.953  172.359  107.424   15.743   53.031   19.492 54.39238 25.05558 
1 1 1   11    7   29 o   87.679   11.400  553.778  121.656  393.832  173.138  709.755  170.977   72.863   18.637  102.494   13.136 -29.63074 22.80094 
1 1 1   11    7   30 o   32.419   15.842 -702.6053  142.124 -322.7501  215.699 -994.0472  188.937   32.419   15.842  ?   ?       ?      ? 
1 1 1   11    7   31 o  127.718   8.6598  1143.85  132.499  1110.40  224.863  1161.64  163.992  124.263   14.249  131.172   9.8447 -6.909370 17.31952 
1 1 1   11    9    0 o  673.825   5.4770 28815.78  468.297 29610.42  678.905 28094.50  646.804  682.672   7.8310  664.977   7.6593 17.69550 10.95399 
1 1 1   11    9    1 o  183.219   3.5348  2140.04   72.809  2149.32   85.163  2114.83  140.359  183.970   3.6452  182.467   6.0573 1.503815 7.069545 
1 1 1   11    9    2 o  780.479   7.2041 39235.48  631.595 39846.84  740.614 37605.22  1209.40  791.966   7.3639  768.991   12.384 22.97540 14.40823 
1 1 1   11    9    3 o  672.514   6.3284 28957.37  474.250 29197.49  552.563 28285.76  924.113  677.974   6.4179  667.055   10.909 10.91888 12.65685 
1 1 1   11    9    4 o  803.401   7.4874 40514.19  651.180 40056.68  744.249 42007.99  1344.81  794.062   7.3805  812.740   13.030 -18.67804 14.97476 
1 1 1   11    9    5 o  1493.40   14.302 141657.41  2546.12 140777.20  3101.01 143478.30  4460.32  1487.22   16.419  1499.57   23.422 -12.35303 28.60369 
1 1 1   11    9    6 o  938.724   8.6317 55716.14  884.618 55421.48  1016.56 56635.38  1795.51  933.952   8.5710  943.496   14.985 -9.544128 17.26343 
1 1 1   11    9    7 o  820.859   7.6434 42527.85  682.981 42246.35  783.496 43418.67  1393.77  815.467   7.5658  826.252   13.283 -10.78442 15.28671 
1 1 1   11    9    8 o  707.137   6.6715 31989.69  522.520 32215.76  606.655 31340.00  1028.43  712.150   6.7080  702.124   11.534 10.02637 13.34292 
1 1 1   11    9    9 o  212.867   3.9503  2914.14   81.985  2934.76   90.681  2821.80  191.862  214.976   3.3216  210.757   7.1685 4.218582 7.900672 
1 1 1   11    9   10 o  727.982   6.8778 33667.03  554.210 33651.71  642.016 33711.80  1097.87  727.824   6.9461  728.140   11.873 -0.3159790 13.75553 
1 1 1   11    9   11 o  558.810   6.7616 19847.38  479.806 19851.55  682.115 19843.30  675.037  558.865   9.6111  558.755   9.5132 0.1103516 13.52312 
1 1 1   11    9   12 o  269.857   4.8451  4624.99  165.709  4654.98  242.494  4598.72  226.972  270.672   7.0547  269.042   6.6432 1.630676 9.690221 
1 1 1   11    9   13 o  338.520   5.0955  7283.86  218.812  7277.85  316.918  7289.32  302.480  338.379   7.3751  338.661   7.0332 -0.2823486 10.19107 
1 1 1   11    9   14 o  687.847   8.0123 30155.76  699.855 29867.23  983.869 30451.29  995.726  684.519   11.318  691.174   11.344 -6.654419 16.02470 
1 1 1   11    9   15 o  149.339   6.1239  1438.65  113.889  1316.67  174.949  1528.36  150.034  143.723   9.5854  154.956   7.6244 -11.23335 12.24788 
1 1 1   11    9   16 o  321.301   4.9828  6560.32  202.984  6746.34  297.160  6397.59  277.928  325.549   7.1878  317.054   6.9028 8.495483 9.965565 
1 1 1   11    9   17 o  368.095   5.2240  8619.71  244.005  8850.46  353.716  8410.21  337.039  372.777   7.4718  363.412   7.3030 9.365143 10.44809 
1 1 1   11    9   18 o  273.848   4.9230  4771.49  170.708  4834.95  251.918  4717.60  232.130  275.501   7.2004  272.194   6.7154 3.306915 9.845966 
1 1 1   11    9   19 o  135.974   6.6857  1176.88  113.559  1205.89  178.331  1157.09  147.279  137.306   10.227  134.642   8.6136 2.664124 13.37131 
1 1 1   11    9   20 o  255.943   5.0727  4193.36  164.174  3932.09  238.489  4428.69  226.342  248.275   7.5641  263.610   6.7612 -15.33408 10.14543 
1 1 1   11    9   21 o  112.959   8.6601  791.357  120.512  947.033  202.213  705.610  150.076  121.134   13.145  104.784   11.278 16.35006 17.32022 
1 1 1   11    9   22 o  194.234   5.7063  2428.97  138.404  2316.07  213.480  2510.84  181.784  190.176   8.8394  198.291   7.2190 -8.114365 11.41264 
1 1 1   11    9   23 o  367.298   5.6704  8536.55  262.053  9332.69  404.903  7962.70  343.757  381.746   8.3522  352.850   7.6716 28.89587 11.34071 
1 1 1   11    9   24 o   44.115   12.840   38.639  116.353  103.325  176.318 -11.2588  154.858   49.153   19.312   39.077   16.926 10.07622 25.67906 
1 1 1   11    9   25 o  211.750   5.9541  2902.42  156.958  2762.09  244.220  3001.16  204.872  207.090   9.2863  216.410   7.4547 -9.319733 11.90830 
1 1 1   11    9   26 o  117.540   9.1638  905.218  135.832  933.786  205.777  883.159  180.825  118.968   13.620  116.112   12.263 2.856041 18.32753 
1 1 1   11    9   27 o  137.716   7.8284  1247.53  136.693  1197.96  196.063  1294.41  190.676  134.893   11.445  140.539   10.684 -5.646973 15.65686 
1 1 1   11    9   28 o  112.206   10.765  859.065  146.228  908.320  249.063  833.156  180.639  113.291   17.312  111.121   12.801 2.169403 21.53026 
1 1 1   11    9   29 o   40.988   12.769   7.0606  130.703 -141.0383  230.574   77.181  158.656   39.040   18.326   42.936   17.787 -3.895947 25.53874 
1 1 1   11    9   30 o   60.711   13.876  305.638  122.972  267.479  187.234  334.585  163.075   57.250   20.413   64.172   18.801 -6.921200 27.75193 
1 1 1   11   11    0 o  823.796   8.0815 43317.13  801.310 42589.79  1367.04 43697.84  989.038  818.348   13.154  829.244   9.3919 -10.89587 16.16294 
1 1 1   11   11    1 o  1211.73   9.5010 93381.20  1461.97 92910.93  2057.66 93860.62  2077.56  1208.65   13.406  1214.80   13.467 -6.152222 19.00204 
1 1 1   11   11    2 o  932.555   7.4110 55090.97  875.414 57771.05  1295.34 52837.82  1187.70  953.341   10.699  911.768   10.258 41.57300 14.82206 
1 1 1   11   11    3 o  716.219   7.1558 32643.23  614.318 32724.13  753.743 32483.17  1060.21  717.659   8.2704  714.779   11.680 2.879700 14.31162 
1 1 1   11   11    4 o  736.752   6.9328 34558.63  565.573 34622.56  655.678 34372.78  1117.90  738.252   6.9937  735.253   11.973 2.998901 13.86564 
1 1 1   11   11    5 o  1007.60   9.2071 64746.96  1026.61 64931.38  1190.15 64210.82  2029.28  1010.82   9.2715  1004.38   15.910 6.438782 18.41428 
1 1 1   11   11    6 o  390.051   4.5819  9601.44  211.595  9492.40  255.736  9838.09  376.756  386.593   5.2091  393.510   7.5392 -6.916840 9.163761 
1 1 1   11   11    7 o  723.696   6.7800 33663.20  548.557 34090.02  641.032 32495.67  1060.21  732.535   6.8909  714.856   11.679 17.67853 13.56010 
1 1 1   11   11    8 f  552.874   5.4208 19744.81  335.352 20118.26  392.715 18739.19  644.432  562.784   5.4949  542.964   9.3460 19.81964 10.84169 
1 1 1   11   11    9 o  575.583   5.6599 20487.96  346.583 20035.37  392.144 22103.25  740.825  561.598   5.4985  589.568   9.8947 -27.96930 11.31986 
1 1 1   11   11   10 o  365.994   4.1497  8516.17  164.500  8520.38  188.599  8502.79  336.326  366.252   4.0549  365.735   7.2413 0.5170288 8.299321 
1 1 1   11   11   11 o  588.023   5.7133 22230.04  375.845 22495.02  439.310 21506.53  725.925  594.906   5.8149  581.139   9.8363 13.76697 11.42659 
1 1 1   11   11   12 o  142.439   5.9578  1329.08  104.669  1070.24  157.402  1534.28  140.145  129.590   9.5645  155.288   7.1066 -25.69850 11.91566 
1 1 1   11   11   13 o  210.506   5.1124  2817.95  136.295  2854.53  200.883  2786.74  185.532  211.753   7.4703  209.258   6.9817 2.495499 10.22489 
1 1 1   11   11   14 o  157.819   5.7124  1597.79  113.644  1407.20  163.234  1777.07  158.313  148.583   8.6509  167.055   7.4625 -18.47110 11.42482 
1 1 1   11   11   15 f  292.920   4.8716  5455.56  180.706  5555.99  266.772  5370.41  245.648  295.382   7.1118  290.458   6.6597 4.923828 9.743131 
1 1 1   11   11   16 o  385.109   5.3960  9453.85  263.544  9418.17  382.336  9486.16  363.773  384.379   7.8326  385.840   7.4241 -1.461517 10.79203 
1 1 1   11   11   17 o  266.572   4.9403  4522.97  166.616  4582.54  247.279  4473.44  225.486  268.141   7.2619  265.004   6.7003 3.137024 9.880682 
1 1 1   11   11   18 o  167.388   5.6782  1787.89  119.371  1791.87  182.959  1784.94  157.517  167.485   8.6020  167.290   7.4144 0.1954498 11.35642 
1 1 1   11   11   19 f  108.861   8.2810  745.659  112.689  961.425  172.756  585.855  148.674  122.341   11.119   95.382   12.274 26.95943 16.56198 
1 1 1   11   11   20 o  334.638   5.3020  7158.57  225.082  7017.99  323.819  7289.99  313.080  331.404   7.6943  337.873   7.2967 -6.468353 10.60392 
1 1 1   11   11   21 o  213.667   6.3285  2940.64  169.818  2820.96  257.101  3033.26  226.177  209.627   9.6578  217.707   8.1808 -8.080002 12.65698 
1 1 1   11   11   22 o  201.408   5.8752  2583.80  149.187  2725.35  227.308  2476.69  197.735  206.140   8.6831  196.677   7.9169 9.463715 11.75042 
1 1 1   11   11   23 o  203.156   6.1500  2652.99  158.474  2606.44  228.602  2696.06  219.885  201.373   8.9393  204.939   8.4488 -3.565765 12.30009 
1 1 1   11   11   24 o  134.877   8.3225  1194.79  140.439  1123.86  214.007  1248.44  186.121  130.997   12.864  138.758   10.562 -7.760239 16.64499 
1 1 1   11   11   25 o  147.277   7.5378  1446.13  137.141  1247.42  210.583  1592.49  180.719  137.753   12.038  156.802   9.0756 -19.04919 15.07560 
1 1 1   11   11   26 f  151.767   7.7036  1531.30  142.463  1470.34  234.252  1567.07  179.467  148.508   12.421  155.026   9.1160 -6.518341 15.40722 
1 1 1   11   11   27 f  215.788   8.1240  3200.38  215.609  2701.11  330.921  3568.67  284.215  199.075   13.090  232.502   9.6259 -33.42709 16.24806 
1 1 1   11   11   28 o   70.202   22.050  413.337  219.003   0.0000   0.0000  413.337  219.003  ?   ?    70.202   22.050      ?      ? 
1 1 1   11   13    0 o  325.077   3.3466  6712.43  138.118  6700.02  197.541  6724.29  193.189  324.782   4.7895  325.372   4.6755 -0.5903015 6.693203 
1 1 1   11   13    1 o  339.881   3.4075  7337.84  147.069  7287.79  208.336  7387.56  207.639  338.725   4.8433  341.036   4.7944 -2.311768 6.814930 
1 1 1   11   13    2 o  379.760   3.6360  9161.28  175.339  9026.85  247.524  9296.67  248.412  376.963   5.1706  382.557   5.1133 -5.594055 7.271903 
1 1 1   11   13    3 o  507.227   4.3807 16285.32  281.427 17175.59  416.941 15540.28  381.422  519.904   6.3150  494.549   6.0732 25.35565 8.761464 
1 1 1   11   13    4 o  589.049   4.9249 22052.70  368.388 21860.27  517.772 22249.98  524.248  586.448   6.9524  591.650   6.9774 -5.202026 9.849851 
1 1 1   11   13    5 o  289.314   4.0446  5326.72  139.093  5340.61  169.296  5297.89  243.993  289.937   4.5979  288.690   6.6553 1.247253 8.089149 
1 1 1   11   13    6 o  428.446   4.5591 11953.14  224.671 12366.17  268.759 10994.78  409.389  441.154   4.7973  415.737   7.7543 25.41699 9.118243 
1 1 1   11   13    7 o  295.670   3.9023  5432.21  131.161  5284.07  153.285  5837.18  253.438  288.383   4.1855  302.957   6.5874 -14.57336 7.804650 
1 1 1   11   13    8 o  229.059   3.8672  3281.92   98.404  3226.31  113.759  3447.20  196.129  225.337   3.9754  232.782   6.6346 -7.445251 7.734442 
1 1 1   11   13    9 o  510.912   5.1161 16848.60  293.283 17123.49  343.781 16113.62  562.132  518.975   5.2162  502.850   8.8028 16.12540 10.23225 
1 1 1   11   13   10 o  145.301   4.4055  1330.75   64.373  1322.93   71.636  1363.58  146.717  144.287   3.9096  146.315   7.8961 -2.027817 8.810999 
1 1 1   11   13   11 f  189.751   3.8331  2230.72   75.385  2189.12   84.501  2392.89  166.852  185.614   3.5849  193.887   6.7765 -8.273117 7.666288 
1 1 1   11   13   12 o  123.008   4.5970  980.945   49.788  988.026   53.785  938.538  131.626  124.699   3.3964  121.316   8.5437 3.382698 9.194003 
1 1 1   11   13   13 o  377.042   5.3474  9058.15  255.810  9104.44  370.188  9015.85  353.901  377.936   7.7130  376.149   7.4087 1.787506 10.69489 
1 1 1   11   13   14 o  385.237   5.4016  9464.65  264.046  9401.44  380.395  9523.43  366.810  383.961   7.8014  386.513   7.4731 -2.551666 10.80315 
1 1 1   11   13   15 o  352.910   5.2966  7948.88  236.985  7836.58  343.809  8050.54  327.110  350.484   7.7245  355.336   7.2490 -4.851959 10.59319 
1 1 1   11   13   16 o   94.247   9.5122  606.121  105.650  456.672  160.878  719.448  140.093   82.561   15.921  105.934   10.414 -23.37288 19.02444 
1 1 1   11   13   17 o  300.104   5.1045  5760.01  193.980  5575.18  282.497  5924.91  266.831  295.471   7.5287  304.737   6.8950 -9.266602 10.20896 
1 1 1   11   13   18 o  189.960   5.7300  2301.98  136.778  2349.70  210.092  2266.87  180.197  191.571   8.6358  188.350   7.5336 3.220886 11.46005 
1 1 1   11   13   19 o  468.577   6.3672 13980.93  376.585 14966.98  571.449 13223.98  500.681  482.912   9.3182  454.243   8.6795 28.66876 12.73433 
1 1 1   11   13   20 f  104.435   10.702  766.859  129.061  549.427  200.993  919.406  168.353   89.537   18.295  119.332   11.109 -29.79557 21.40358 
1 1 1   11   13   21 o   65.790   14.145  298.512  132.714  199.498  201.051  374.971  176.674   58.119   21.098   73.461   18.846 -15.34183 28.28981 
1 1 1   11   13   22 o  205.150   6.2185  2691.92  160.635  2859.48  246.441  2568.13  211.814  210.513   9.2184  199.787   8.3485 10.72591 12.43695 
1 1 1   11   13   23 o  127.401   8.6388  1074.79  136.124  1032.64  215.960  1102.58  175.342  124.775   13.629  130.026   10.619 -5.251389 17.27751 
1 1 1   11   13   24 o  102.305   11.830  812.332  133.872  491.190  218.651  1004.91  169.318   81.033   21.056  123.578   10.789 -42.54528 23.65918 
1 1 1   11   15    0 o  517.921   4.4806 17037.41  294.340 17617.75  429.333 16522.73  404.312  526.215   6.4247  509.627   6.2472 16.58765 8.961278 
1 1 1   11   15    1 o  407.119   3.7950 10538.84  196.181 10562.63  279.691 10515.80  275.245  407.567   5.4038  406.670   5.3297 0.8966370 7.589906 
1 1 1   11   15    2 o  249.004   3.2062  3931.46  101.142  4072.60  149.255  3811.62  137.535  253.120   4.6433  244.888   4.4225 8.231934 6.412362 
1 1 1   11   15    3 o  231.999   3.1770  3413.24   93.427  3544.98  137.258  3299.51  127.530  236.156   4.5768  227.842   4.4076 8.314072 6.354042 
1 1 1   11   15    4 f  119.282   3.8909  911.517   58.469  835.702   85.960  976.795   79.763  114.617   5.9057  123.946   5.0675 -9.328552 7.781809 
1 1 1   11   15    5 o  126.771   3.7513  1020.55   60.166  1038.40   89.368  1005.75   81.368  127.775   5.5075  125.766   5.0946 2.009789 7.502554 
1 1 1   11   15    6 o   92.684   4.6571  535.544   53.777  603.550   86.622  492.897   68.596   97.358   7.0062   88.011   6.1374 9.347382 9.314223 
1 1 1   11   15    7 o  284.195   4.0890  5108.44  136.546  5059.47  164.055  5218.86  246.344  282.099   4.5794  286.291   6.7757 -4.192017 8.178100 
1 1 1   11   15    8 f  343.144   4.1701  7667.41  164.282  7917.64  196.184  7080.13  300.548  352.904   4.3775  333.384   7.0989 19.52032 8.340104 
1 1 1   11   15    9 o  512.536   5.1983 16885.67  298.312 17050.98  348.693 16434.37  576.140  517.707   5.3037  507.365   8.9419 10.34235 10.39650 
1 1 1   11   15   10 o  398.056   4.4615 10090.41  196.756 10090.64  228.093 10089.73  388.948  398.348   4.5089  397.764   7.7000 0.5837402 8.922983 
1 1 1   11   15   11 o  238.979   3.8982  3654.15  101.801  3672.77  117.350  3597.50  204.649  240.364   3.8445  237.594   6.7826 2.769684 7.796395 
1 1 1   11   15   12 o  405.516   4.4554 10524.69  198.467 10572.17  229.346 10383.14  396.021  407.698   4.4297  403.334   7.7317 4.363464 8.910754 
1 1 1   11   15   13 o  322.148   4.0163  6615.07  138.243  6619.37  157.575  6600.72  288.060  322.645   3.8458  321.651   7.0521 0.9944458 8.032586 
1 1 1   11   15   14 o  230.162   5.2737  3375.04  152.906  3448.49  232.499  3319.06  202.978  232.284   7.8818  228.039   7.0091 4.245132 10.54749 
1 1 1   11   15   15 o  259.108   5.4562  4273.22  176.634  4394.33  277.423  4190.65  229.064  262.036   8.3369  256.180   7.0410 5.856140 10.91236 
1 1 1   11   15   16 o  471.674   6.4250 14106.21  381.157 15441.89  590.048 13149.72  499.317  490.402   9.4745  452.947   8.6806 37.45462 12.84991 
1 1 1   11   15   17 o  168.046   6.7876  1798.34  144.023  1976.35  218.429  1661.44  191.564  175.287   9.8126  160.805   9.3807 14.48187 13.57513 
1 1 1   11   15   18 o  182.283   6.4802  2134.11  149.062  2157.98  224.235  2115.21  199.531  183.072   9.6450  181.493   8.6571 1.579010 12.96042 
1 1 1   11   15   19 o  148.320   7.7455  1455.62  142.537  1245.60  215.500  1618.96  190.047  138.217   12.277  158.423   9.4463 -20.20636 15.49096 
1 1 1   11   15   20 o  158.766   7.3694  1653.50  146.269  1533.46  222.456  1744.91  194.136  153.275   11.429  164.257   9.3069 -10.98102 14.73881 
1 1 1   11   15   21 o   32.756   15.246 -119.3139  154.084   0.0000   0.0000 -119.3139  154.084  ?   ?    32.756   15.246      ?      ? 
1 1 1   11   17    0 o  134.135   4.2343  1154.74   71.396  1067.48  106.376  1226.27   96.312  129.456   6.4706  138.813   5.4635 -9.357697 8.468645 
1 1 1   11   17    1 o  336.552   3.5193  7210.39  150.283  7069.03  215.813  7343.46  209.395  333.332   5.0983  339.772   4.8529 -6.440063 7.038687 
1 1 1   11   17    2 o  210.942   3.3488  2825.79   89.175  2870.62  134.081  2790.23  119.413  212.421   4.9704  209.463   4.4892 2.958649 6.697597 
1 1 1   11   17    3 o  368.684   3.6631  8634.38  171.210  8890.59  250.977  8411.37  234.153  373.774   5.2875  363.593   5.0711 10.18076 7.326240 
1 1 1   11   17    4 o  216.992   3.3802  2999.72   92.694  2949.38  137.429  3041.73  125.554  215.298   5.0264  218.686   4.5210 -3.388214 6.760482 
1 1 1   11   17    5 o  366.687   3.6487  8555.84  169.877  8333.71  238.772  8783.53  241.742  361.863   5.1959  371.512   5.1239 -9.649384 7.297380 
1 1 1   11   17    6 o  145.623   3.8587  1333.04   70.576  1462.11  109.959  1242.62   92.035  151.523   5.7144  139.724   5.1869 11.79947 7.717421 
1 1 1   11   17    7 o   76.494   5.9608  378.668   56.078  354.491   89.826  394.108   71.785   74.399   9.5073   78.590   7.1927 -4.190765 11.92159 
1 1 1   11   17    8 o  181.404   4.8722  2188.97  101.733  2331.00  122.888  1879.64  181.361  191.354   5.0570  171.454   8.3295 19.89949 9.744419 
1 1 1   11   17    9 o  286.526   4.2705  5265.60  139.504  5307.68  164.755  5159.02  262.219  288.809   4.4921  284.242   7.2644 4.567017 8.541077 
1 1 1   11   17   10 o  311.184   4.3683  6182.80  162.902  6198.67  199.874  6151.42  281.146  312.000   5.0446  310.367   7.1331 1.633453 8.736641 
1 1 1   11   17   11 o  385.747   4.8767  9588.13  228.158  9805.84  285.172  9200.90  380.323  392.221   5.7253  379.273   7.8963 12.94879 9.753488 
1 1 1   11   17   12 o  304.460   4.4991  5809.97  148.409  5714.86  169.522  6122.05  307.075  299.623   4.4553  309.297   7.8179 -9.673248 8.998291 
1 1 1   11   17   13 o  106.222   7.5174  803.876   71.508  841.118   78.441  620.679  173.975  114.870   5.3772   97.574   14.040 17.29550 15.03475 
1 1 1   11   17   14 o  167.385   5.0616  1785.37   74.658  1782.62   80.504  1802.31  199.566  167.377   3.7874  167.393   9.3880 -0.1544189E-01 10.12317 
1 1 1   11   17   15 o  200.568   6.5773  2610.92  163.565  2493.83  257.759  2689.85  211.633  196.441   10.332  204.695   8.1414 -8.253571 13.15455 
1 1 1   11   17   16 o  302.113   5.4449  5852.48  208.400  5989.72  306.929  5735.08  283.865  305.297   7.9166  298.929   7.4777 6.367584 10.88982 
1 1 1   11   17   17 o  217.230   5.8654  3016.86  161.007  3318.65  242.907  2780.36  215.030  226.778   8.4345  207.682   8.1531 19.09572 11.73089 
1 1 1   11   19    0 o  124.941   8.0495  998.801  127.717  998.801  127.717   0.0000   0.0000  124.941   8.0495  ?   ?       ?      ? 
1 1 1   11   19    1 o  276.582   5.4159  4874.40  190.227  4874.40  190.227   0.0000   0.0000  276.582   5.4159  ?   ?       ?      ? 
1 1 1   11   19    2 o  360.071   5.5971  8263.90  255.935  8263.90  255.935   0.0000   0.0000  360.071   5.5971  ?   ?       ?      ? 
1 1 1   11   19    3 o  335.557   5.4947  7176.73  234.147  7176.73  234.147   0.0000   0.0000  335.557   5.4947  ?   ?       ?      ? 
1 1 1   11   19    4 o  180.810   4.4565  2085.89  102.125  2095.29  149.356  2077.63  139.954  181.164   6.4919  180.455   6.1072 0.7092133 8.913031 
1 1 1   11   19    5 o  437.457   4.1512 12184.70  230.214 12553.91  337.523 11863.51  314.805  443.602   5.9915  431.312   5.7474 12.28940 8.302430 
1 1 1   11   19    6 o  103.901   6.0369  698.081   78.280  657.622  120.495  727.626  102.968  101.170   9.3787  106.633   7.6039 -5.463333 12.07390 
1 1 1   11   19    7 f  313.078   3.5652  6208.55  141.110  6627.84  212.088  5875.51  189.018  322.475   5.1790  303.681   4.9013 18.79382 7.130498 
1 1 1   11   19    8 o  236.662   7.8066  3588.47  234.622   0.0000   0.0000  3588.47  234.622  ?   ?   236.662   7.8066      ?      ? 
1 1 1   11   19    9 o  240.833   4.6061  3542.93  126.292  3351.97  146.955  4082.36  246.995  229.297   5.0467  252.370   7.7068 -23.07372 9.212143 
1 1 1   11   19   10 f  318.540   4.5115  6482.55  161.593  6475.59  188.856  6501.58  312.219  318.744   4.6656  318.336   7.7232 0.4079895 9.023062 
1 1 1   11   19   11 o  130.010   6.9627  1196.03   95.698  1302.30  111.581  900.417  186.100  142.691   6.1576  117.328   12.490 25.36289 13.92549 
1 1 1   11   19   12 o   95.809   7.9646  591.537   77.303  586.665   86.308  611.300  173.820   95.598   7.1093   96.021   14.255 -0.4231720 15.92911 
1 1 1   11   19   13 o  115.571   6.9946  852.587   74.297  845.280   80.755  892.870  189.606  114.939   5.5325  116.203   12.849 -1.264244 13.98911 
1 1 1   11   19   14 o  203.207   4.4377  2637.08  114.519  2637.08  114.519   0.0000   0.0000  203.207   4.4377  ?   ?       ?      ? 
1 1 1   11   21    0 o  207.334   4.0728  2750.55  106.050  2734.65  162.221  2762.43  140.145  206.702   6.1799  207.966   5.3065 -1.264450 8.145593 
1 1 1   11   21    1 o  138.100   5.3240  1246.18   91.756  1057.68  135.605  1405.37  124.615  128.119   8.3346  148.081   6.6266 -19.96175 10.64790 
1 1 1   11   21    2 o  255.789   3.8227  4167.86  123.877  4363.79  182.997  4002.14  168.301  261.287   5.5150  250.291   5.2950 10.99687 7.645410 
1 1 1   11   21    3 o   94.133   6.9038  591.474   78.875  509.956  126.722  643.028  100.776   88.346   11.295   99.920   7.9420 -11.57347 13.80767 
1 1 1   11   21    4 o   87.368   7.5288  506.806   80.859  456.671  127.825  540.252  104.403   83.371   12.073   91.364   8.9983 -7.993004 15.05759 
1 1 1   11   21    5 o  151.110   4.6206  1458.66   87.151  1502.27  137.337  1429.25  112.764  152.853   7.0752  149.366   5.9448 3.486572 9.241171 
1 1 1   11   21    6 o   71.683   8.5403  333.751   75.046  420.859  117.833  274.306   97.341   79.969   11.603   63.397   12.535 16.57203 17.08067 
1 1 1   11   21    7 f  111.794   5.9326  803.524   82.212  839.524  132.619  781.056  104.772  113.584   9.1942  110.004   7.4999 3.579735 11.86516 
1 1 1   11   21    8 o   46.907   12.216  131.851  101.569  195.966  118.598 -44.5640  196.727   52.938   16.161   40.875   18.323 12.06343 24.43175 
1 1 1   11   21    9 o   85.901   10.880  507.929  112.503  486.627  141.976  543.876  184.432   84.955   13.160   86.848   17.330 -1.893707 21.76004 
1 1 1   11   21   10 o   57.562   17.562  241.427  140.082  241.427  140.082   0.0000   0.0000   57.562   17.562  ?   ?       ?      ? 
1 1 1   11   21   11 o  202.095   6.1257  2636.22  157.215  2636.22  157.215   0.0000   0.0000  202.095   6.1257  ?   ?       ?      ? 
1 1 1   11   23    0 o  109.141   7.0285  789.111   96.912  851.973  146.367  740.038  129.320  112.835   10.215  105.448   9.6572 7.386559 14.05705 
1 1 1   11   23    1 o   90.245   9.4583  597.946   98.227  466.584  157.783  681.075  125.517   79.423   16.193  101.066   9.7796 -21.64291 18.91666 
1 1 1   11   23    2 o   99.978   7.4529  651.987   93.109  800.213  148.557  556.092  119.490  108.944   10.738   91.012   10.338 17.93205 14.90572 
1 1 1   11   23    3 o  102.142   7.3131  706.276   94.117  633.450  136.254  772.732  130.158   96.636   11.103  107.647   9.5211 -11.01083 14.62611 
1 1 1   11   23    4 o  113.058   8.2955  851.417  112.666  954.886  197.732  801.676  137.098  116.787   13.332  109.329   9.8746 7.457611 16.59091 
1 1 1   11   23    5 o   99.027   9.4680  660.243  116.341  851.181  190.613  546.880  146.872  109.725   13.679   88.329   13.094 21.39594 18.93600 
1 1 1   11   23    6 o  196.611   5.7655  2584.51  141.098  2410.16  217.673  2710.85  185.299  189.929   9.0247  203.292   7.1775 -13.36263 11.53095 
1 1 1   11   23    7 o  143.735   7.0225  1423.36  123.773  1292.03  196.447  1509.82  159.389  136.798   11.308  150.672   8.3300 -13.87439 14.04499 
1 1 1   12    0    0 o  217.710   2.5272  3012.23   98.753  3012.23   98.753  3012.23   98.753  217.710   3.5740  217.710   3.5740 -0.000000 0.000000 
1 1 1   12    0    1 o  1053.93   8.2766 70613.17  1566.15 70613.17  1566.15 70613.17  1566.15  1053.93   11.705  1053.93   11.705 -0.000000 0.000000 
1 1 1   12    0    2 o   62.225   3.4109  250.290   37.591  250.290   37.591  250.290   37.591   62.225   4.8238   62.225   4.8238 -0.000000 0.000000 
1 1 1   12    0    3 o  224.501   2.5387  3202.98  102.300  3202.98  102.300  3202.98  102.300  224.501   3.5903  224.501   3.5903 -0.000000 0.000000 
1 1 1   12    0    4 o  420.851   3.6703 11253.31  277.312 11253.31  277.312 11253.31  277.312  420.851   5.1905  420.851   5.1905 -0.000000 0.000000 
1 1 1   12    0    5 o  444.626   3.8346 12560.78  306.098 12560.78  306.098 12560.78  306.098  444.626   5.4229  444.626   5.4229 -0.000000 0.000000 
1 1 1   12    0    6 f  264.903   2.7501  4459.06  130.772  4459.06  130.772  4459.06  130.772  264.903   3.8892  264.903   3.8892 -0.000000 0.000000 
1 1 1   12    0    7 o  670.019   5.4369 28526.50  654.034 28526.50  654.034 28526.50  654.034  670.019   7.6889  670.019   7.6889 -0.000000 0.000000 
1 1 1   12    0    8 o  287.281   2.8832  5244.02  148.690  5244.02  148.690  5244.02  148.690  287.281   4.0775  287.281   4.0775 -0.000000 0.000000 
1 1 1   12    0    9 o  944.654   7.4627 56718.76  1265.72 56718.76  1265.72 56718.76  1265.72  944.654   10.554  944.654   10.554 -0.000000 0.000000 
1 1 1   12    0   10 o  412.639   3.6451 10818.22  270.037 10818.22  270.037 10818.22  270.037  412.639   5.1550  412.639   5.1550 -0.000000 0.000000 
1 1 1   12    0   11 o  1082.47   8.5046 74485.31  1652.89 74485.31  1652.89 74485.31  1652.89  1082.47   12.027  1082.47   12.027 -0.000000 0.000000 
1 1 1   12    0   12 o  361.411   4.7320  8304.03  306.901  8304.03  306.901  8304.03  306.901  361.411   6.6920  361.411   6.6920 -0.000000 0.000000 
1 1 1   12    0   13 f  295.064   3.0692  5532.18  162.564  5532.18  162.564  5532.18  162.564  295.064   4.3405  295.064   4.3405 -0.000000 0.000000 
1 1 1   12    0   14 o  1952.79   21.479 243307.30  7528.76 243307.30  7528.76 243307.30  7528.76  1952.79   30.376  1952.79   30.376 -0.000000 0.000000 
1 1 1   12    0   15 o  188.021   3.0356  2248.43  102.385  2248.43  102.385  2248.43  102.385  188.021   4.2930  188.021   4.2930 -0.000000 0.000000 
1 1 1   12    0   16 o  177.707   2.9807  2008.77   95.008  2008.77   95.008  2008.77   95.008  177.707   4.2153  177.707   4.2153 -0.000000 0.000000 
1 1 1   12    0   17 o  285.704   3.0967  5187.32  158.810  5187.32  158.810  5187.32  158.810  285.704   4.3794  285.704   4.3794 -0.000000 0.000000 
1 1 1   12    0   18 o   42.615   9.7850  146.829   66.243  146.829   66.243  146.829   66.243   42.615   13.838   42.615   13.838 -0.000000 0.000000 
1 1 1   12    0   19 o   89.264   4.6808  514.667   74.090  514.667   74.090  514.667   74.090   89.264   6.6196   89.264   6.6196 -0.000000 0.000000 
1 1 1   12    0   20 o  340.788   3.3719  7382.65  206.281  7382.65  206.281  7382.65  206.281  340.788   4.7686  340.788   4.7686 -0.000000 0.000000 
1 1 1   12    0   21 o  211.176   3.0557  2836.66  115.781  2836.66  115.781  2836.66  115.781  211.176   4.3214  211.176   4.3214 -0.000000 0.000000 
1 1 1   12    0   22 f   18.268   8.5651 -19.6806   74.203 -19.6806   74.203 -19.6806   74.203   18.268   12.113   18.268   12.113 -0.000000 0.000000 
1 1 1   12    0   23 o   23.506   10.161   30.132   81.621   30.132   81.621   30.132   81.621   23.506   14.371   23.506   14.371 -0.000000 0.000000 
1 1 1   12    0   24 o  156.700   3.6629  1566.16  102.828  1566.16  102.828  1566.16  102.828  156.700   5.1801  156.700   5.1801 -0.000000 0.000000 
1 1 1   12    0   25 f  172.124   3.8081  1889.65  117.458  1889.65  117.458  1889.65  117.458  172.124   5.3855  172.124   5.3855 -0.000000 0.000000 
1 1 1   12    0   27 o  354.666   3.6547  8007.29  232.682  8007.29  232.682  8007.29  232.682  354.666   5.1686  354.666   5.1686 -0.000000 0.000000 
1 1 1   12    0   28 o  147.859   4.2734  1399.60  113.049  1399.60  113.049  1399.60  113.049  147.859   6.0436  147.859   6.0436 -0.000000 0.000000 
1 1 1   12    0   29 o  265.955   3.5840  4509.68  171.048  4509.68  171.048  4509.68  171.048  265.955   5.0686  265.955   5.0686 -0.000000 0.000000 
1 1 1   12    0   30 o   19.664   9.4720 -54.1772  102.835 -54.1772  102.835 -54.1772  102.835   19.664   13.395   19.664   13.395 -0.000000 0.000000 
1 1 1   12    0   31 o  352.578   4.2067  7962.06  266.203  7962.06  266.203  7962.06  266.203  352.578   5.9492  352.578   5.9492 -0.000000 0.000000 
1 1 1   12    0   32 o   57.001   12.012  267.911  107.043  267.911  107.043  267.911  107.043   57.001   16.987   57.001   16.987 -0.000000 0.000000 
1 1 1   12    0   33 o   40.772   13.760  175.685  115.458  175.685  115.458  175.685  115.458   40.772   19.460   40.772   19.460 -0.000000 0.000000 
1 1 1   12    2    0 o  212.076   2.5680  2849.26   69.052  3080.66  100.253  2640.39   95.248  220.249   3.5843  203.903   3.6784 16.34563 5.135901 
1 1 1   12    2    1 o  824.104   6.5595 43103.46  685.689 41863.81  942.580 44496.89  999.329  811.551   9.1459  836.658   9.4055 -25.10712 13.11909 
1 1 1   12    2    2 o  460.709   3.9421 13470.97  230.504 13158.70  319.348 13810.61  333.047  455.141   5.5251  466.276   5.6245 -11.13480 7.884285 
1 1 1   12    2    3 o  186.960   2.4412  2219.75   57.946  2217.06   81.068  2222.55   82.858  186.845   3.4166  187.075   3.4877 -0.2304230 4.882304 
1 1 1   12    2    4 o  741.665   5.9537 34951.04  560.641 34522.05  783.454 35401.28  802.627  737.006   8.3708  746.324   8.4685 -9.318054 11.90738 
1 1 1   12    2    5 o  422.554   3.6893 11337.64  197.930 11168.36  276.413 11515.79  283.556  419.319   5.1908  425.789   5.2440 -6.470612 7.378659 
1 1 1   12    2    6 o  424.404   3.7007 11440.47  199.453 11491.25  282.991 11390.36  281.155  425.340   5.2391  423.469   5.2281 1.871002 7.401479 
1 1 1   12    2    7 o  359.616   3.2875  8210.86  150.104  8080.38  209.674  8348.04  214.985  356.686   4.6289  362.545   4.6695 -5.858795 6.575026 
1 1 1   12    2    8 o  279.585   2.8339  4964.17  100.618  4941.19  141.912  4987.40  142.683  278.935   4.0063  280.236   4.0093 -1.301300 5.667861 
1 1 1   12    2    9 o  612.317   5.0161 23818.20  390.027 23991.41  555.162 23649.39  548.071  614.514   7.1139  610.120   7.0736 4.394104 10.03218 
1 1 1   12    2   10 o  219.857   3.6684  3069.68  102.421  3069.68  102.421   0.0000   0.0000  219.857   3.6684  ?   ?       ?      ? 
1 1 1   12    2   11 o  533.011   4.4640 18029.54  301.950 18488.89  437.000 17609.87  417.699  539.499   6.3784  526.523   6.2470 12.97650 8.927961 
1 1 1   12    2   12 o  1222.01   9.5704 94879.41  1483.95 97324.12  2152.19 92663.77  2048.88  1236.97   13.701  1207.04   13.366 29.92896 19.14082 
1 1 1   12    2   13 o  175.945   3.0175  1956.27   67.092  1700.82   91.721  2250.25   98.393  163.650   4.4134  188.238   4.1160 -24.58806 6.034902 
1 1 1   12    2   14 o  1126.20   12.523 80649.12  1791.00   0.0000   0.0000 80649.12  1791.00  ?   ?   1126.20   12.523      ?      ? 
1 1 1   12    2   15 o  724.711   5.8672 33368.34  539.945 33149.26  759.089 33592.70  768.187  722.304   8.2755  727.117   8.3193 -4.812622 11.73431 
1 1 1   12    2   16 o   57.188   6.5095  207.883   47.259  201.268   66.721  214.542   66.948   56.274   9.3364   58.102   9.0735 -1.827618 13.01907 
1 1 1   12    2   17 o  339.127   3.3314  7297.40  143.391  7074.42  198.814  7539.15  207.006  333.733   4.6910  344.520   4.7314 -10.78662 6.662743 
1 1 1   12    2   18 o  456.593   4.0204 13246.07  233.088 13058.11  326.466 13441.51  332.901  453.291   5.6713  459.895   5.7000 -6.604462 8.040791 
1 1 1   12    2   19 o   92.860   4.4583  551.353   52.220  480.983   74.225  620.321   73.481   86.951   6.7220   98.768   5.8584 -11.81738 8.916597 
1 1 1   12    2   20 f  233.282   3.0240  3452.58   89.498  3598.88  130.119  3321.22  123.295  237.962   4.3058  228.602   4.2471 9.360886 6.047942 
1 1 1   12    2   21 o  201.199   3.0673  2573.62   78.338  2480.82  110.541  2667.26  111.034  197.552   4.4062  204.848   4.2682 -7.295883 6.134536 
1 1 1   12    2   22 o   57.576   7.3238  217.157   51.818  172.070   72.550  264.109   74.035   50.837   11.506   64.316   9.0644 -13.47971 14.64757 
1 1 1   12    2   23 o  286.876   3.2453  5231.47  118.130  5299.91  171.051  5169.07  163.339  288.661   4.6662  285.091   4.5116 3.569672 6.490559 
1 1 1   12    2   24 o  434.492   3.9593 12022.74  218.461 11975.33  309.221 12069.99  308.680  433.633   5.6152  435.351   5.5833 -1.717896 7.918600 
1 1 1   12    2   25 o  108.887   5.1312  757.492   70.901  765.409   98.703  749.052  101.912  109.488   7.0988  108.285   7.4111 1.203201 10.26237 
1 1 1   12    2   27 o  134.630   4.6531  1159.45   79.248  1290.41  113.060  1032.97  111.112  142.152   6.2629  127.109   6.8835 15.04327 9.306286 
1 1 1   12    2   28 o  216.434   3.5759  2987.17   98.264  2906.97  137.420  3071.08  140.565  213.460   5.0694  219.407   5.0449 -5.947571 7.151886 
1 1 1   12    2   29 o   43.597   10.358  121.382   69.052  150.338   91.609   83.284  105.080   47.149   14.161   40.044   15.120 7.104179 20.71636 
1 1 1   12    2   30 o  104.001   5.7610  703.663   75.845  722.146  104.089  682.743  110.741  105.565   7.7644  102.436   8.5129 3.128754 11.52198 
1 1 1   12    2   32 o   39.166   10.836   80.689   82.815  134.855  105.120  -7.9311  134.458   43.857   15.326   34.475   15.322 9.382332 21.67132 
1 1 1   12    2   33 o  106.539   12.033  959.377  137.926  684.953  238.181  1097.83  169.178   87.226   21.613  125.851   10.585 -38.62449 24.06571 
1 1 1   12    4    0 o  567.932   6.6644 20492.68  480.659 20492.68  480.659   0.0000   0.0000  567.932   6.6644  ?   ?       ?      ? 
1 1 1   12    4    1 o  259.741   2.8459  4286.34   93.830  4350.90  131.349  4219.08  134.086  261.740   3.9517  257.743   4.0966 3.997528 5.691862 
1 1 1   12    4    2 o  280.027   4.0585  4980.14  144.326  4980.14  144.326   0.0000   0.0000  280.027   4.0585  ?   ?       ?      ? 
1 1 1   12    4    3 o  336.276   3.1954  7176.28  136.363  7034.15  188.698  7331.64  197.280  332.794   4.4649  339.757   4.5723 -6.962341 6.390745 
1 1 1   12    4    4 o  618.802   5.0673 24278.01  397.602 23452.04  544.375 25222.44  582.106  607.550   7.0557  630.053   7.2752 -22.50256 10.13468 
1 1 1   12    4    5 o  649.105   5.2857 26770.26  435.694 26648.52  613.215 26894.38  619.155  647.616   7.4562  650.594   7.4940 -2.978394 10.57140 
1 1 1   12    4    6 o  699.674   5.6549 31107.00  502.454 31104.42  710.421 31109.59  710.733  699.644   7.9958  699.703   7.9986 -0.5792236E-01 11.30975 
1 1 1   12    4    7 o  820.578   6.5473 42793.86  682.244 42551.25  959.584 43041.85  970.180  818.228   9.2349  822.927   9.2835 -4.699280 13.09454 
1 1 1   12    4    8 o  607.148   4.9971 23149.88  382.095 25468.10  588.117 21456.65  502.625  633.135   7.3146  581.161   6.8104 51.97455 9.994217 
1 1 1   12    4    9 o  436.625   4.6469 12018.12  241.826 11846.87  293.860 12377.40  425.642  431.877   5.3580  441.372   7.5938 -9.494904 9.293791 
1 1 1   12    4   10 o  1003.40   7.9279 63946.94  1009.44 65576.89  1462.61 62464.38  1394.92  1015.58   11.341  991.219   11.082 24.36523 15.85590 
1 1 1   12    4   11 o  601.906   4.9656 23007.26  379.466 23336.13  543.873 22695.30  529.701  606.094   7.0661  597.717   6.9784 8.376587 9.931169 
1 1 1   12    4   12 o  727.884   5.8923 33656.43  544.587 33983.04  777.756 33342.26  762.787  731.346   8.3742  724.422   8.2915 6.923523 11.78457 
1 1 1   12    4   13 o  676.139   5.5253 29042.43  474.409 28862.52  667.628 29225.92  674.250  674.025   7.7998  678.253   7.8280 -4.228638 11.05052 
1 1 1   12    4   14 o  381.854   3.5674  9209.14  172.435  8633.66  232.706  9909.90  256.789  368.699   4.9700  395.009   5.1191 -26.30917 7.134858 
1 1 1   12    4   15 o  361.546   3.4462  8268.46  157.826  8767.55  233.579  7849.17  214.091  371.543   4.9505  351.549   4.7955 19.99448 6.892316 
1 1 1   12    4   16 o  427.334   3.8425 11552.42  207.961 12228.62  308.262 10987.62  281.727  438.761   5.5324  415.908   5.3340 22.85291 7.685006 
1 1 1   12    4   17 o  374.720   3.5296  8915.66  167.912  8681.47  234.201  9163.37  240.866  369.660   4.9889  379.781   4.9942 -10.12100 7.059138 
1 1 1   12    4   18 o  570.325   4.7829 20688.34  346.410 20671.88  489.945 20704.79  489.849  570.097   6.7674  570.552   6.7607 -0.4545898 9.565774 
1 1 1   12    4   19 o  559.762   4.7206 19937.26  335.567 19845.80  474.099 20029.07  475.030  558.474   6.6848  561.049   6.6672 -2.575745 9.441282 
1 1 1   12    4   20 o  285.852   3.1317  5193.85  113.657  5195.29  162.559  5192.48  158.971  285.888   4.4775  285.817   4.3798 0.7037354E-01 6.263444 
1 1 1   12    4   21 o  245.460   3.0628  3829.84   95.435  3683.37  134.157  3979.89  135.789  240.705   4.3888  250.214   4.2734 -9.508911 6.125686 
1 1 1   12    4   22 o  174.746   3.1401  1943.83   69.500  1771.61   97.794  2119.58   98.791  166.907   4.6138  182.585   4.2606 -15.67793 6.280138 
1 1 1   12    4   23 o  387.934   3.7035  9579.37  182.411  9522.60  260.278  9634.16  255.719  386.794   5.2988  389.074   5.1755 -2.280579 7.406982 
1 1 1   12    4   24 o  221.399   3.2633  3119.55   91.712  3108.53  131.548  3129.97  127.927  221.011   4.6870  221.787   4.5420 -0.7759399 6.526698 
1 1 1   12    4   25 f  ?   ?  -371.3947   65.013 -353.2602   84.401 -397.8551  101.951  ?   ?   ?   ?       ?      ? 
1 1 1   12    4   26 o   70.412   7.2417  314.876   64.272  283.783   84.836  356.768   98.471   66.405   10.060   74.420   10.419 -8.014977 14.48342 
1 1 1   12    4   27 o  117.276   4.5564  874.644   67.459  749.791   92.185  1018.58   98.979  108.280   6.7041  126.273   6.1724 -17.99301 9.112826 
1 1 1   12    4   28 o  109.301   8.1593  768.990   87.168  795.392  205.331  763.185   96.274  109.507   14.765  109.095   6.9490 0.4113770 16.31863 
1 1 1   12    4   29 o  167.686   5.8816  1837.48  102.910  1788.10  219.435  1851.41  116.519  165.306   10.453  170.066   5.3951 -4.759567 11.76315 
1 1 1   12    4   30 o   86.861   10.251  444.345   87.616  673.842  211.904  397.021   96.226   96.069   18.031   77.653   9.7579 18.41596 20.50242 
1 1 1   12    4   31 f   49.227   13.710  138.199  122.376  210.675  202.348   96.404  153.663   54.643   20.898   43.812   17.752 10.83104 27.41970 
1 1 1   12    4   32 o   53.995   13.668  235.653  120.390  170.577  204.626  270.104  148.885   50.093   20.415   57.896   18.180 -7.802521 27.33656 
1 1 1   12    6    0 o  327.175   3.6263  7019.38  135.702  7334.88  162.198  6283.33  247.742  339.849   3.7582  314.501   6.2030 25.34830 7.252658 
1 1 1   12    6    1 o  566.686   5.4638 20053.11  333.785 19748.31  380.416 21072.76  695.792  557.593   5.3723  575.779   9.5158 -18.18616 10.92761 
1 1 1   12    6    2 o  1104.46   10.059 77055.18  1209.28 76514.45  1387.19 78767.01  2468.16  1097.11   9.9565  1111.82   17.481 -14.70947 20.11748 
1 1 1   12    6    3 o  1054.87   16.617 70878.20  2225.99   0.0000   0.0000 70878.20  2225.99  ?   ?   1054.87   16.617      ?      ? 
1 1 1   12    6    4 o  480.479   4.1577 14633.45  253.222 14188.31  345.754 15148.42  371.892  472.618   5.7607  488.340   5.9968 -15.72156 8.315491 
1 1 1   12    6    5 o  1322.41   10.350 111252.20  1737.63 113203.10  2497.03 109420.60  2419.55  1333.62   14.744  1311.19   14.531 22.42456 20.70098 
1 1 1   12    6    6 o  747.862   8.5458 35541.72  811.615   0.0000   0.0000 35541.72  811.615  ?   ?   747.862   8.5458      ?      ? 
1 1 1   12    6    7 o  988.767   7.8262 62123.71  982.257 61056.42  1364.45 63271.83  1415.18  979.969   10.964  997.565   11.171 -17.59601 15.65250 
1 1 1   12    6    8 o  577.870   6.7937 21213.57  498.556 21213.57  498.556   0.0000   0.0000  577.870   6.7937  ?   ?       ?      ? 
1 1 1   12    6    9 o   62.931   5.2125  272.994   36.670  304.249   44.195  203.929   65.698   69.213   5.0282   56.649   9.1323 12.56393 10.42500 
1 1 1   12    6   10 o  341.717   3.3356  7392.40  144.455  7064.91  196.744  7775.43  212.775  333.533   4.6450  349.901   4.7885 -16.36813 6.671255 
1 1 1   12    6   11 o  931.448   7.4674 55042.04  881.986 53353.86  1208.39 56966.78  1290.27  916.208   10.386  946.688   10.732 -30.48108 14.93472 
1 1 1   12    6   12 o  1017.00   8.1513 65706.02  1052.10 64433.40  1457.60 67090.22  1520.17  1006.74   11.401  1027.26   11.653 -20.51819 16.30255 
1 1 1   12    6   13 o  721.618   5.9485 33074.69  544.985 33635.71  781.409 32543.34  760.467  727.572   8.4572  715.665   8.3674 11.90680 11.89697 
1 1 1   12    6   14 o  855.139   6.9528 46432.54  754.390 45380.36  1041.20 47595.24  1094.53  844.964   9.7033  865.314   9.9604 -20.35065 13.90552 
1 1 1   12    6   15 o  250.306   2.9165  3978.96   92.705  3936.66  130.568  4021.96  131.647  248.964   4.1297  251.647   4.1195 -2.682999 5.833064 
1 1 1   12    6   16 o  205.892   2.8165  2691.38   73.556  2515.56  102.785  2875.95  105.310  199.002   4.0672  212.783   3.8972 -13.78137 5.632979 
1 1 1   12    6   17 o  464.557   4.1034 13718.57  242.048 13587.78  338.954 13854.66  345.763  462.301   5.7735  466.813   5.8326 -4.511932 8.206822 
1 1 1   12    6   18 o  528.879   5.5350 17810.89  351.625 17816.78  604.939 17807.88  432.120  528.696   9.0101  529.062   6.4316 -0.3659668 11.07008 
1 1 1   12    6   19 o  349.181   3.1569  7756.91  137.160  7716.97  216.561  7783.67  177.240  348.392   4.8948  349.971   3.9880 -1.578430 6.313709 
1 1 1   12    6   20 o  459.907   4.8657 13674.94  246.422 13056.83  485.821 13889.06  285.935  452.457   8.4551  467.356   4.8177 -14.89874 9.731389 
1 1 1   12    6   21 o  357.575   4.3345  8116.17  163.622  8184.37  347.724  8096.78  185.434  358.271   7.6427  356.880   4.0916 1.391113 8.669004 
1 1 1   12    6   22 o   70.576   9.2169  296.771   53.982  370.433  158.176  287.060   57.430   74.042   17.158   67.110   6.7387 6.932205 18.43373 
1 1 1   12    6   23 o  235.392   4.4017  3456.59   99.791  3648.67  242.118  3417.29  109.527  238.956   7.9787  231.829   3.7203 7.126968 8.803433 
1 1 1   12    6   24 o  284.020   8.0466  5159.85  290.227  5159.85  290.227   0.0000   0.0000  284.020   8.0466  ?   ?       ?      ? 
1 1 1   12    6   25 o   43.543   11.449  107.877   69.721 -54.2238  208.248  128.341   73.991   43.115   19.119   43.972   12.602 -0.8570213 22.89839 
1 1 1   12    6   26 o  128.811   6.9369  1073.11   76.536  1062.69  210.081  1074.70   82.185  127.766   12.948  129.855   4.9837 -2.088959 13.87376 
1 1 1   12    6   27 o  256.850   4.4523  4187.04  115.686  4276.58  261.059  4165.16  129.049  257.966   7.9689  255.735   3.9736 2.231308 8.904677 
1 1 1   12    6   28 o  263.567   4.7775  4564.40  123.602  4298.38  283.819  4626.67  137.306  257.745   8.6711  269.388   4.0136 -11.64240 9.554913 
1 1 1   12    6   29 o   32.384   10.955 -205.2604  125.440 -182.6725  192.504 -221.9295  165.370   34.670   16.418   30.099   14.510 4.570702 21.91074 
1 1 1   12    6   30 o   50.682   11.825   59.492  131.498 -409.4311  203.289  396.859  172.431   29.263   14.505   72.100   18.681 -42.83710 23.65069 
1 1 1   12    6   31 o   74.613   13.211  445.539  123.322  432.500  197.028  453.938  158.126   72.059   20.535   77.168   16.626 -5.108482 26.42165 
1 1 1   12    6   32 o   59.655   13.416  206.140  120.161  596.555  223.160   46.727  142.598   81.541   21.313   37.769   16.301 43.77201 26.83178 
1 1 1   12    8    0 o  363.984   4.1564  8379.05  179.577  8313.99  217.722  8517.50  317.595  361.808   4.7386  366.161   6.8300 -4.353180 8.312854 
1 1 1   12    8    1 o  494.086   4.8667 15769.77  271.629 16093.49  319.974 14934.65  513.930  503.375   5.0055  484.796   8.3477 18.57941 9.733391 
1 1 1   12    8    2 o  792.977   7.2849 40656.50  652.459 41504.93  768.609 38468.31  1234.36  808.250   7.4883  777.705   12.498 30.54510 14.56985 
1 1 1   12    8    3 o  628.334   6.2967 25345.29  480.115 25991.66  600.771 24202.81  798.711  639.615   7.3963  617.053   10.193 22.56213 12.59349 
1 1 1   12    8    4 o  137.467   3.7116  1166.69   55.305  1137.29   63.041  1264.89  115.222  133.823   3.7095  141.111   6.4298 -7.287537 7.423112 
1 1 1   12    8    5 o  1170.83   10.615 87175.97  1366.02 87117.38  1576.79 87352.21  2734.90  1170.68   10.606  1170.97   18.392 -0.2864990 21.23059 
1 1 1   12    8    6 o  414.016   4.3042 11001.62  197.174 11122.71  229.030 10654.87  387.558  418.499   4.3094  409.533   7.4520 8.966064 8.608309 
1 1 1   12    8    7 o  253.338   3.4953  4107.20   94.810  4134.38  108.309  4018.13  196.105  255.158   3.3425  251.517   6.1397 3.641830 6.990571 
1 1 1   12    8    8 o  695.312   6.5648 30704.73  501.099 30687.74  578.046 30756.11  1005.19  695.062   6.5488  695.562   11.380 -0.4995728 13.12962 
1 1 1   12    8    9 o  282.073   3.8150  4848.37  108.530  4723.23  120.319  5394.73  251.405  272.724   3.4740  291.422   6.7932 -18.69812 7.629974 
1 1 1   12    8   10 o   62.740   9.2067  298.914   35.432  305.518   36.549  195.770  144.439   69.360   4.1494   56.120   17.940 13.23970 18.41346 
1 1 1   12    8   11 o  363.039   5.2253  8376.05  240.801  8247.83  343.933  8499.35  337.254  360.309   7.5166  365.768   7.2606 -5.459412 10.45063 
1 1 1   12    8   12 o  553.992   6.7026 19506.27  471.532 19530.41  669.688 19482.54  664.042  554.330   9.5132  553.654   9.4445 0.6758423 13.40521 
1 1 1   12    8   13 o  278.238   4.9355  4823.79  172.383  5560.12  269.978  4316.97  223.985  295.812   7.1868  260.664   6.7665 35.14832 9.870911 
1 1 1   12    8   14 o  559.366   6.7598 19894.82  479.949 20242.97  691.802 19571.76  666.412  564.070   9.6576  554.662   9.4610 9.408447 13.51963 
1 1 1   12    8   15 o  340.415   4.9724  7366.13  214.869  7080.84  300.274  7665.51  307.599  333.659   7.0866  347.170   6.9769 -13.51102 9.944713 
1 1 1   12    8   16 o  223.212   4.8864  3154.80  138.125  3382.01  204.920  2965.62  186.986  230.535   6.9995  215.889   6.8202 14.64551 9.772873 
1 1 1   12    8   17 o  238.558   4.9801  3624.06  150.446  3603.27  220.877  3642.05  205.482  237.896   7.3112  239.219   6.7639 -1.323395 9.960100 
1 1 1   12    8   18 o  168.516   5.6399  1810.24  119.422  1806.03  182.505  1813.39  157.926  168.300   8.5391  168.732   7.3702 -0.4317780 11.27987 
1 1 1   12    8   19 o   36.761   11.065   0.3722   90.366   18.284  133.648 -14.7140  122.653   38.699   16.202   34.823   15.073 3.876049 22.12950 
1 1 1   12    8   20 o   99.149   8.7196  645.118  105.983  571.969  168.110  693.369  136.535   94.215   14.051  104.082   10.330 -9.867332 17.43911 
1 1 1   12    8   21 o  129.600   6.7785  1073.16  111.248  1099.79  164.432  1050.68  151.071  131.048   9.8805  128.152   9.2828 2.895737 13.55708 
1 1 1   12    8   22 o  366.759   5.2633  8590.18  245.108  8416.48  346.202  8764.76  347.070  363.023   7.5096  370.496   7.3766 -7.472321 10.52657 
1 1 1   12    8   23 o  216.262   5.4404  3007.30  148.349  2810.73  218.767  3174.64  201.847  209.577   8.2198  222.946   7.1293 -13.36874 10.88078 
1 1 1   12    8   24 f  174.517   6.1311  1954.57  135.232  1936.80  200.775  1969.32  182.958  173.703   9.1017  175.331   8.2170 -1.627792 12.26219 
1 1 1   12    8   25 o  156.306   6.5902  1568.07  129.577  1599.26  198.108  1544.75  171.301  157.529   9.9029  155.083   8.6980 2.446777 13.18038 
1 1 1   12    8   26 o   60.167   14.851  217.483  137.642  310.302  222.007  159.528  175.427   67.375   22.293   52.959   19.628 14.41541 29.70259 
1 1 1   12    8   27 o  216.662   6.1991  3070.02  166.343  2882.81  261.496  3197.27  215.585  210.553   9.7797  222.772   7.6204 -12.21878 12.39815 
1 1 1   12    8   28 o  104.144   9.6335  736.520  126.390  689.949  186.699  775.918  171.723  100.620   14.611  107.668   12.559 -7.048615 19.26701 
1 1 1   12    8   29 o  186.078   7.6691  2353.01  177.061  2092.69  270.837  2547.31  233.989  175.754   12.135  196.402   9.3815 -20.64815 15.33825 
1 1 1   12    8   30 o   85.544   12.041  573.935  125.587  430.754  191.073  682.839  166.639   72.529   20.067   98.560   13.314 -26.03128 24.08179 
1 1 1   12    8   31 o   79.516   12.548  560.858  130.775  301.806  206.756  733.611  168.840   58.195   21.354  100.837   13.185 -42.64215 25.09694 
1 1 1   12   10    0 o  681.900   6.8374 29479.59  556.310 29346.88  678.318 29752.26  972.270  679.656   7.8590  684.144   11.191 -4.487549 13.67472 
1 1 1   12   10    1 o  924.842   10.406 54413.77  1222.15 54610.31  1734.84 54220.13  1721.99  926.497   14.745  923.188   14.688 3.308899 20.81218 
1 1 1   12   10    2 o  450.388   4.9543 12867.34  266.227 12831.89  324.729 12940.00  464.952  449.477   5.6890  451.298   8.1127 -1.820831 9.908639 
1 1 1   12   10    3 o  718.946   6.7543 33078.41  541.257 33333.26  630.633 32365.58  1054.69  724.388   6.8553  713.505   11.640 10.88281 13.50868 
1 1 1   12   10    4 o  395.835   4.5443 10007.54  215.306 10119.46  264.377  9787.13  371.015  399.165   5.2155  392.506   7.4433 6.658478 9.088691 
1 1 1   12   10    5 o  556.117   5.8430 19209.48  378.537 18579.79  449.312 20749.46  702.651  540.831   6.5420  571.403   9.6832 -30.57269 11.68597 
1 1 1   12   10    6 o  641.948   6.5119 26235.98  500.767 26333.72  614.244 26042.28  864.739  643.821   7.5127  640.075   10.638 3.746155 13.02371 
1 1 1   12   10    7 o  208.312   3.8405  2682.42   84.460  2625.95   95.284  2889.46  182.458  203.349   3.6898  213.275   6.7367 -9.926361 7.680948 
1 1 1   12   10    8 o  1116.31   10.150 79510.57  1252.34 79738.14  1451.02 78846.03  2479.56  1120.03   10.202  1112.59   17.549 7.440186 20.29915 
1 1 1   12   10    9 o  709.716   6.6766 32174.36  524.614 32343.02  608.675 31687.10  1034.56  713.523   6.7174  705.908   11.541 7.615356 13.35329 
1 1 1   12   10   10 o  872.747   8.0589 48774.99  783.237 49135.53  912.097 47762.55  1528.43  879.292   8.1683  866.201   13.895 13.09155 16.11783 
1 1 1   12   10   11 o   89.955   5.7866  499.266   34.373  496.741   35.657  532.458  129.276   88.440   3.1748   91.470   11.129 -3.029312 11.57312 
1 1 1   12   10   12 o  371.766   5.2042  8786.80  245.628  8497.17  344.732  9085.48  350.071  365.539   7.4262  377.992   7.2928 -12.45279 10.40839 
1 1 1   12   10   13 o  559.483   6.7728 19843.14  479.490 21126.34  715.850 18798.93  645.758  575.761   9.7904  543.206   9.3611 32.55475 13.54559 
1 1 1   12   10   14 o  171.021   5.5544  1855.02  119.904  1927.46  181.171  1798.57  159.945  173.958   8.2010  168.084   7.4932 5.873856 11.10878 
1 1 1   12   10   15 o   83.746   9.6047  458.809   99.128  425.619  145.298  487.708  135.583   80.187   14.814   87.306   12.229 -7.118973 19.20948 
1 1 1   12   10   16 o  211.116   5.0440  2830.41  134.760  2928.57  200.425  2749.43  182.055  214.428   7.3603  207.805   6.8987 6.622742 10.08791 
1 1 1   12   10   17 o  298.639   5.0246  5675.71  189.198  5729.18  285.722  5633.96  252.483  299.834   7.5039  297.444   6.6842 2.390350 10.04920 
1 1 1   12   10   18 o  276.394   5.0268  4876.77  176.092  4705.00  254.298  5035.01  244.079  271.672   7.3709  281.116   6.8370 -9.444061 10.05359 
1 1 1   12   10   19 o  210.796   5.2273  2831.64  139.518  2869.25  205.973  2799.75  189.652  212.054   7.6487  209.538   7.1272 2.516449 10.45463 
1 1 1   12   10   20 o  193.804   5.4844  2407.11  134.488  2207.28  192.283  2598.48  188.173  185.844   8.1473  201.763   7.3441 -15.91956 10.96879 
1 1 1   12   10   21 o  243.519   5.3824  3795.01  166.210  3624.81  237.647  3957.99  232.549  238.115   7.8590  248.923   7.3565 -10.80768 10.76485 
1 1 1   12   10   22 o  468.370   6.2812 14048.64  373.356 13543.16  516.838 14600.28  539.928  459.585   8.8555  477.155   8.9104 -17.57068 12.56245 
1 1 1   12   10   23 o  389.044   5.5485  9684.28  273.772  9856.14  398.871  9531.20  376.445  392.236   8.0077  385.852   7.6825 6.383850 11.09702 
1 1 1   12   10   24 o  199.249   6.0971  2563.66  153.461  2294.62  219.110  2822.71  215.001  188.791   9.1391  209.708   8.0733 -20.91656 12.19428 
1 1 1   12   10   25 o   74.722   12.186  441.679  132.801   43.681  220.645  667.752  166.294   48.662   20.619  100.783   12.993 -52.12042 24.37116 
1 1 1   12   10   26 o  210.241   6.4752  2904.38  169.748  2672.02  259.686  3077.74  224.303  202.292   10.109  218.189   8.0952 -15.89612 12.95050 
1 1 1   12   10   27 o  234.445   6.3447  3580.98  186.854  3689.99  287.782  3501.52  245.686  237.055   9.5595  231.834   8.3450 5.220993 12.68950 
1 1 1   12   10   28 o   74.729   14.872  439.485  146.360  515.852  223.420  382.077  193.712   80.019   21.519   69.438   20.533 10.58085 29.74320 
1 1 1   12   10   29 o   53.621   18.946  222.741  160.939   0.0000   0.0000  222.741  160.939  ?   ?    53.621   18.946      ?      ? 
1 1 1   12   12    0 o  451.228   4.0081 12919.17  229.544 12530.71  318.160 13340.89  331.500  444.162   5.6406  458.294   5.6959 -14.13232 8.016216 
1 1 1   12   12    1 f  901.468   7.1776 51575.30  820.712 53241.51  1196.52 50094.88  1127.84  915.182   10.295  887.754   10.004 27.42816 14.35527 
1 1 1   12   12    2 o  284.433   4.6568  5138.17  168.207  5138.17  168.207   0.0000   0.0000  284.433   4.6568  ?   ?       ?      ? 
1 1 1   12   12    3 o  483.216   4.9759 14844.31  268.144 14855.05  311.952 14813.95  524.724  483.615   5.0794  482.817   8.5580 0.7986755 9.951838 
1 1 1   12   12    4 o  700.300   6.6351 31133.20  513.694 31092.11  594.578 31254.18  1020.14  699.573   6.6926  701.027   11.459 -1.453613 13.27027 
1 1 1   12   12    5 o  204.024   3.9880  2651.36   91.093  2659.39  106.264  2629.12  176.900  204.629   4.0892  203.420   6.8479 1.209442 7.975951 
1 1 1   12   12    6 o  342.643   4.1135  7539.00  158.710  7634.63  186.218  7285.12  303.412  346.702   4.2295  338.585   7.0565 8.117401 8.226920 
1 1 1   12   12    7 o  348.628   4.1139  7779.18  159.050  7839.38  184.812  7607.25  312.309  351.309   4.1425  345.947   7.1088 5.361298 8.227737 
1 1 1   12   12    8 o  553.205   5.4204 19673.88  334.775 19911.07  390.867 19020.78  648.591  559.748   5.4987  546.662   9.3427 13.08600 10.84077 
1 1 1   12   12    9 o  456.554   4.7279 13161.93  235.037 13074.06  269.667 13439.66  479.425  453.590   4.6815  459.518   8.2156 -5.928528 9.455836 
1 1 1   12   12   10 o  200.152   3.8924  2616.74   79.287  2665.81   89.138  2430.85  173.506  204.848   3.4265  195.456   6.9902 9.391602 7.784833 
1 1 1   12   12   11 o   79.555   6.6572  333.009   42.461  315.547   44.592  502.693  139.004   70.453   4.9840   88.657   12.346 -18.20372 13.31432 
1 1 1   12   12   12 o  169.722   5.3931  1832.56  115.585  1852.94  173.331  1816.23  155.106  170.546   8.0031  168.899   7.2314 1.646790 10.78626 
1 1 1   12   12   13 o  363.465   5.2494  8379.52  241.380  8797.24  360.501  8040.05  324.981  371.609   7.6391  355.321   7.2021 16.28735 10.49888 
1 1 1   12   12   14 o  173.946   5.4512  1889.56  119.195  2249.46  184.561  1632.03  156.122  187.868   7.7359  160.025   7.6824 27.84258 10.90243 
1 1 1   12   12   15 o  162.802   5.8906  1697.90  119.110  1657.10  188.075  1725.22  153.909  161.077   9.1943  164.526   7.3663 -3.448685 11.78127 
1 1 1   12   12   16 o  382.301   5.3790  9324.92  261.016  9207.69  373.685  9436.60  364.741  379.923   7.7452  384.680   7.4663 -4.756470 10.75798 
1 1 1   12   12   17 o  351.958   5.2629  7902.55  235.117  7946.34  338.244  7861.60  327.049  352.877   7.5480  351.039   7.3364 1.838196 10.52586 
1 1 1   12   12   18 o  456.363   6.0194 13321.55  348.829 13179.58  494.199 13462.51  492.442  453.916   8.5733  458.810   8.4517 -4.893860 12.03883 
1 1 1   12   12   19 o  478.525   6.2533 14659.81  379.630 14824.89  550.562 14510.18  524.167  481.011   9.0131  476.038   8.6706 4.972900 12.50661 
1 1 1   12   12   20 o  713.528   8.5549 32916.80  774.960 33094.40  1110.51 32748.22  1081.96  715.268   12.226  711.789   11.970 3.479187 17.10975 
1 1 1   12   12   21 o  302.236   5.4708  5847.56  209.493  5856.07  306.931  5840.15  286.645  302.358   7.9936  302.114   7.4713 0.2440796 10.94157 
1 1 1   12   12   22 o  130.753   8.4079  1104.27  138.540  1158.04  211.294  1063.73  183.486  133.383   12.474  128.124   11.277 5.259766 16.81589 
1 1 1   12   12   23 o  181.997   6.8917  2170.43  156.302  1972.72  238.649  2318.94  206.837  174.268   10.784  189.726   8.5847 -15.45755 13.78343 
1 1 1   12   12   24 f   64.809   13.299  234.255  130.645  540.127  209.800   40.523  166.969   86.656   19.532   42.961   18.055 43.69536 26.59836 
1 1 1   12   12   25 o  136.173   8.4310  1250.86  141.437  1152.10  223.482  1316.85  182.675  130.774   13.457  141.571   10.161 -10.79732 16.86205 
1 1 1   12   12   26 o  212.091   9.7065  2973.91  261.434   0.0000   0.0000  2973.91  261.434  ?   ?   212.091   9.7065      ?      ? 
1 1 1   12   14    0 o  385.693   3.6656  9443.96  179.438  9104.38  248.781  9812.19  259.059  378.475   5.1761  392.911   5.1919 -14.43549 7.331288 
1 1 1   12   14    1 o  252.194   3.1996  4041.12  102.241  4048.90  149.782  4034.34  139.904  252.415   4.6727  251.973   4.3722 0.4412537 6.399231 
1 1 1   12   14    2 f  359.511   3.5335  8217.27  161.277  8062.27  229.242  8369.17  226.937  356.148   5.0686  362.874   4.9246 -6.725830 7.066970 
1 1 1   12   14    3 o  279.648   3.2474  4973.29  115.241  4858.54  164.910  5082.80  161.108  276.487   4.6967  282.808   4.4859 -6.320618 6.494774 
1 1 1   12   14    4 o  364.454   3.5750  8444.38  165.437  8395.49  235.510  8492.01  232.446  363.409   5.1031  365.500   5.0079 -2.090973 7.149909 
1 1 1   12   14    5 o   35.741   10.601   3.4874   83.301   52.969  115.771 -49.6313  119.951   39.269   15.578   32.212   14.383 7.057274 21.20257 
1 1 1   12   14    6 o  183.930   4.0352  2168.99   86.371  2195.88  103.561  2107.55  156.542  185.877   4.3872  181.982   6.7737 3.895279 8.070342 
1 1 1   12   14    7 o  271.684   3.8974  4652.23  119.543  4603.50  139.670  4785.70  231.156  269.143   4.0864  274.225   6.6377 -5.081665 7.794746 
1 1 1   12   14    8 o  213.119   3.9316  2971.58   94.035  3072.88  110.774  2710.30  177.903  219.894   3.9669  206.344   6.7891 13.55032 7.863103 
1 1 1   12   14    9 o  396.037   4.3907  9972.41  192.389  9963.08  222.808  9999.75  381.424  395.891   4.4318  396.184   7.5811 -0.2933960 8.781464 
1 1 1   12   14   10 o  306.683   3.9573  5973.29  131.523  5963.61  150.758  6004.14  269.085  306.321   3.8755  307.046   6.9009 -0.7253723 7.914698 
1 1 1   12   14   11 o  213.197   3.8496  2823.55   85.369  2774.50   95.850  3011.77  187.755  208.943   3.6123  217.450   6.7991 -8.507523 7.699184 
1 1 1   12   14   12 o  454.811   4.7597 12961.45  232.953 12774.84  265.379 13588.14  486.327  448.186   4.6626  461.437   8.2992 -13.25122 9.519326 
1 1 1   12   14   13 o  137.997   6.2314  1193.99  108.093  1386.24  168.057  1058.34  141.167  147.277   8.9855  128.717   8.6362 18.56061 12.46284 
1 1 1   12   14   14 o  155.694   6.1893  1567.44  118.450  1475.98  190.328  1625.26  151.326  151.800   9.8731  159.589   7.4668 -7.788422 12.37866 
1 1 1   12   14   15 o  272.342   5.0741  4725.92  175.236  4875.78  256.207  4594.19  240.210  276.368   7.3000  268.317   7.0496 8.050720 10.14827 
1 1 1   12   14   16 o   92.849   10.424  558.134  119.164  675.885  181.603  469.098  157.917  102.072   14.010   83.627   15.439 18.44540 20.84777 
1 1 1   12   14   17 o  405.258   6.1441 10505.19  315.559  9599.26  437.504 11487.52  455.580  386.987   8.9024  423.530   8.4704 -36.54266 12.28824 
1 1 1   12   14   18 o   91.289   12.070  545.019  131.335  656.979  217.584  480.846  164.729   98.236   18.109   84.342   15.964 13.89335 24.14080 
1 1 1   12   14   19 o   54.373   13.625  176.958  119.400  121.698  181.460  219.152  158.561   50.881   19.703   57.865   18.825 -6.983944 27.25075 
1 1 1   12   14   20 o  255.856   5.4865  4210.80  177.678  4038.35  258.656  4364.88  244.491  250.756   8.1226  260.956   7.3777 -10.19958 10.97296 
1 1 1   12   14   21 o  221.075   5.6523  3155.82  157.867  3023.08  232.421  3269.51  215.098  216.572   8.4507  225.579   7.5086 -9.006912 11.30463 
1 1 1   12   14   22 o  252.080   5.3721  4087.20  170.547  4173.92  259.508  4021.27  226.274  254.199   8.0390  249.962   7.1282 4.236755 10.74416 
1 1 1   12   16    0 o   89.018   5.4886  503.350   61.195  515.176   95.222  495.029   79.873   89.880   8.3425   88.156   7.1347 1.723732 10.97727 
1 1 1   12   16    1 o  168.764   3.5724  1805.92   75.988  1854.59  115.398  1768.66  100.969  170.751   5.3218  166.777   4.7673 3.973175 7.144821 
1 1 1   12   16    2 o   93.236   5.1496  547.523   60.592  638.072   91.064  475.583   81.169  100.080   7.1651   86.393   7.3983 13.68699 10.29919 
1 1 1   12   16    3 o  625.451   5.2144 24927.84  414.163 24848.88  585.997 25006.64  585.435  624.457   7.3895  626.445   7.3590 -1.988403 10.42877 
1 1 1   12   16    4 o  118.687   4.2517  886.819   63.438  963.558   98.341  832.126   83.022  123.022   6.2947  114.351   5.7171 8.670982 8.503403 
1 1 1   12   16    5 o  176.489   3.4108  2002.99   75.411  1819.30  113.191  2149.60  101.120  169.105   5.2708  183.874   4.3305 -14.76901 6.821669 
1 1 1   12   16    6 o  125.158   5.3896  976.671   81.932  926.720  100.821  1073.81  140.596  120.618   6.5821  129.698   8.5361 -9.079865 10.77911 
1 1 1   12   16    7 o  286.449   4.0264  5225.31  133.466  5228.50  158.898  5217.68  245.942  286.745   4.3636  286.153   6.7680 0.5919800 8.052719 
1 1 1   12   16    8 o  604.664   5.9198 23544.27  402.727 23776.22  472.111 22924.50  771.727  610.995   6.0845  598.333   10.156 12.66223 11.83958 
1 1 1   12   16    9 o  133.009   5.2744  1179.55   76.455  1233.10   89.016  1028.95  149.282  139.201   5.0356  126.818   9.2693 12.38219 10.54880 
1 1 1   12   16   10 o  423.756   4.6441 11383.88  218.544 11315.23  253.302 11583.81  432.260  421.690   4.7301  425.822   7.9935 -4.132141 9.288178 
1 1 1   12   16   11 o  670.553   6.4789 28741.82  477.439 28685.76  551.122 28910.45  955.799  670.690   6.4706  670.416   11.226 0.2741089 12.95776 
1 1 1   12   16   12 o  169.318   4.8497  1881.83   83.109  1917.80   93.297  1743.56  182.894  173.620   4.2315  165.015   8.7277 8.604340 9.699363 
1 1 1   12   16   13 o   33.721   15.962 -271.8199   69.980 -283.7601   75.842 -203.4064  181.541  ?   ?    33.721   15.962      ?      ? 
1 1 1   12   16   14 o  185.395   8.1512  2327.41  181.166  1817.84  288.634  2658.67  232.716  167.224   13.592  203.566   9.0021 -36.34152 16.30243 
1 1 1   12   16   15 o  146.645   7.0487  1372.40  130.419  1484.36  198.513  1287.38  172.990  151.796   10.298  141.493   9.6274 10.30263 14.09733 
1 1 1   12   16   16 o  302.770   5.3832  5867.57  206.560  5940.71  302.729  5803.85  282.553  304.457   7.8298  301.082   7.3899 3.375061 10.76643 
1 1 1   12   16   17 o   57.143   13.569  200.351  128.923   23.561  200.188  325.635  168.522   45.919   19.555   68.366   18.817 -22.44614 27.13803 
1 1 1   12   16   18 o   63.581   13.336  290.583  129.195   72.337  212.200  419.135  162.858   49.568   20.555   77.595   16.997 -28.02639 26.67266 
1 1 1   12   16   19 o   48.165   18.279  126.549  154.063   0.0000   0.0000  126.549  154.063  ?   ?    48.165   18.279      ?      ? 
1 1 1   12   18    0 o   81.756   6.7232  431.138   68.946  407.933  104.418  449.075   91.804   79.728   10.313   83.785   8.6281 -4.057076 13.44630 
1 1 1   12   18    1 f  223.693   3.4007  3190.97   96.406  3051.49  138.846  3320.81  133.962  218.943   4.9937  228.443   4.6177 -9.499649 6.801500 
1 1 1   12   18    2 o  102.151   5.4321  681.994   68.823  562.790  102.736  779.041   92.698   93.786   8.6260  110.517   6.6049 -16.73157 10.86427 
1 1 1   12   18    3 o  298.484   4.2048  5679.12  148.853  5675.51  262.453  5680.83  180.733  298.215   6.9302  298.753   4.7637 -0.5375366 8.409556 
1 1 1   12   18    4 o  363.913   3.7144  8439.75  171.494  8282.48  246.618  8587.01  238.637  360.600   5.3854  367.225   5.1171 -6.625366 7.428869 
1 1 1   12   18    5 o  227.735   3.5344  3317.85  101.059  3191.75  153.359  3414.63  134.356  223.841   5.3950  231.630   4.5676 -7.789200 7.068859 
1 1 1   12   18    6 o  109.578   5.5697  748.732   76.476  895.110  120.632  650.368   98.888  118.295   8.0301  100.862   7.7204 17.43281 11.13938 
1 1 1   12   18    7 o  386.030   4.9452  9349.89  225.959  9069.07  271.940  9976.15  406.108  377.210   5.6769  394.850   8.0990 -17.64029 9.890477 
1 1 1   12   18    8 o  349.866   4.9628  8151.66  210.685  9413.80  275.441  6371.98  327.075  384.271   5.6444  315.460   8.1644 68.81067 9.925537 
1 1 1   12   18    9 f  349.130   4.6836  7780.69  193.343  7774.42  234.078  7794.15  342.987  349.274   5.2774  348.986   7.7391 0.2886353 9.367219 
1 1 1   12   18   10 o  298.631   4.3553  5511.34  142.679  5342.10  163.410  6054.26  292.684  289.663   4.4423  307.599   7.4927 -17.93573 8.710573 
1 1 1   12   18   11 o  150.329   5.3482  1450.24   86.819  1453.16   99.487  1440.91  177.791  150.980   5.1888  149.677   9.3536 1.303391 10.69641 
1 1 1   12   18   12 o  102.458   7.0252  634.709   79.131  595.825   90.207  764.528  164.823   96.444   7.3652  108.473   11.965 -12.02832 14.05035 
1 1 1   12   18   13 o  270.282   4.1601  4642.97  120.760  4620.99  137.796  4715.76  250.724  269.366   4.0282  271.198   7.2800 -1.831482 8.320167 
1 1 1   12   18   14 o  136.735   5.6900  1142.05   66.999  1120.84   71.663  1289.26  188.796  132.610   4.2554  140.859   10.554 -8.249542 11.37991 
1 1 1   12   18   15 f  115.939   12.326  885.496  181.486   0.0000   0.0000  885.496  181.486  ?   ?   115.939   12.326      ?      ? 
1 1 1   12   20    0 o  264.143   3.8597  4453.44  129.355  4247.62  183.304  4657.61  182.569  258.029   5.5940  270.257   5.3195 -12.22720 7.719491 
1 1 1   12   20    1 o  193.053   4.0536  2391.82   97.808  2298.62  150.794  2459.52  128.507  189.695   6.2597  196.411   5.1521 -6.716660 8.107238 
1 1 1   12   20    2 o  180.626   4.2990  2085.15   97.915  2070.47  147.199  2096.81  131.135  179.991   6.4398  181.260   5.6969 -1.268753 8.598049 
1 1 1   12   20    3 o  204.379   3.9937  2683.78  102.647  2518.04  153.452  2817.99  138.089  198.546   6.0860  210.212   5.1728 -11.66660 7.987314 
1 1 1   12   20    4 o   56.631   10.650  214.416   76.463  241.787  122.940  197.150   97.647   59.415   15.956   53.847   14.110 5.568348 21.29985 
1 1 1   12   20    5 o   59.242   10.137  245.822   73.365  209.924  124.801  264.778   90.690   55.638   16.488   62.847   11.796 -7.208984 20.27316 
1 1 1   12   20    6 o  155.044   5.3612  1559.70   94.871  1503.85  177.056  1582.20  112.363  152.702   9.1304  157.387   5.6218 -4.684525 10.72236 
1 1 1   12   20    7 o   57.666   12.569  232.238   98.383  257.583  116.301  168.463  184.484   61.153   15.072   54.178   20.119 6.975693 25.13865 
1 1 1   12   20    8 o   47.720   12.128  131.828   86.687  127.995  101.868  141.891  165.052   44.889   15.106   50.551   18.979 -5.661823 24.25684 
1 1 1   12   20    9 o   37.567   11.338   18.543   92.478   64.875  106.678 -121.5794  185.518   38.401   15.041   36.733   16.969 1.667950 22.67561 
1 1 1   12   20   10 o  136.002   6.7453  1198.98  100.308  1194.76  115.570  1211.89  201.965  136.352   6.6743  135.651   11.724 0.7014465 13.49065 
1 1 1   12   20   11 o  104.980   8.8862  716.747  118.467  716.747  118.467   0.0000   0.0000  104.980   8.8862  ?   ?       ?      ? 
1 1 1   12   20   12 o   35.498   14.143   52.242   95.807   52.242   95.807   0.0000   0.0000   35.498   14.143  ?   ?       ?      ? 
1 1 1   12   22    0 o   65.716   10.251  300.916   79.105  310.785  139.104  296.199   96.168   65.636   16.660   65.796   11.950 -0.1596680 20.50225 
1 1 1   12   22    1 o  100.392   7.2678  664.081   90.873  663.547  142.923  664.443  117.737   99.996   11.255  100.788   9.1987 -0.7920380 14.53570 
1 1 1   12   22    2 o   57.017   11.428  239.994   93.178  118.180  144.097  327.533  122.153   45.911   17.617   68.123   14.561 -22.21212 22.85568 
1 1 1   12   22    3 o   81.046   9.3042  448.771   92.221  454.780  142.852  444.478  120.755   80.506   14.506   81.585   11.655 -1.079414 18.60842 
1 1 1   12   22    4 o  124.201   6.3657  1002.68   99.151  1063.90  154.564  959.877  129.248  127.141   9.5729  121.261   8.3932 5.879974 12.73132 
1 1 1   12   22    5 o  102.346   10.732  697.369  139.488   0.0000   0.0000  697.369  139.488  ?   ?   102.346   10.732      ?      ? 
1 1 1   12   22    6 f  270.745   9.5670  4843.32  328.937  4843.32  328.937   0.0000   0.0000  270.745   9.5670  ?   ?       ?      ? 
1 1 1   12   22    7 o   26.579   13.430 -651.2239  218.434 -651.2239  218.434   0.0000   0.0000   26.579   13.430  ?   ?       ?      ? 
1 1 1   12   22    9 o  134.766   8.5569  1200.83  146.445  1200.83  146.445   0.0000   0.0000  134.766   8.5569  ?   ?       ?      ? 
1 1 1   12   24    0 o   49.471   12.170  183.121   91.477  248.597  150.284  144.582  115.298   54.676   18.348   44.266   15.992 10.40937 24.33908 
1 1 1   12   24    1 f   50.497   13.354  104.888  115.756  435.287  218.634 -23.8031  136.449   67.964   22.105   33.030   14.991 34.93398 26.70887 
1 1 1   12   24    2 o   49.227   20.644  174.300  217.528  174.300  217.528   0.0000   0.0000   49.227   20.644  ?   ?       ?      ? 
1 1 1   13    1    0 o  956.940   7.5529 58223.85  917.787 58677.83  1307.75 57783.24  1288.36  960.610   10.720  953.269   10.642 7.340820 15.10576 
1 1 1   13    1    1 o  536.409   4.4697 18273.05  304.402 18001.51  424.815 18559.61  436.397  532.316   6.2842  540.502   6.3578 -8.185425 8.939420 
1 1 1   13    1    2 o  328.240   3.0931  6842.00  128.923  6925.77  183.605  6760.53  181.071  330.221   4.3783  326.258   4.3703 3.963104 6.186158 
1 1 1   13    1    3 o  521.895   4.3681 17289.52  289.337 16906.72  401.035 17705.10  417.853  515.878   6.1215  527.913   6.2328 -12.03516 8.736157 
1 1 1   13    1    4 o  399.359   3.5365 10121.65  179.262  9870.02  248.691 10393.79  258.629  394.198   4.9679  404.520   5.0345 -10.32236 7.072915 
1 1 1   13    1    5 o  907.534   7.1855 52361.40  828.063 51983.25  1162.63 52750.72  1179.67  904.213   10.125  910.855   10.198 -6.641663 14.37091 
1 1 1   13    1    6 f  567.153   4.6899 20433.40  337.766 20276.33  474.426 20594.85  480.989  564.944   6.6128  569.362   6.6522 -4.418152 9.379848 
1 1 1   13    1    7 o  863.840   6.8584 47409.21  752.076 48272.21  1082.28 46603.32  1045.85  871.430   9.7798  856.249   9.6182 15.18060 13.71688 
1 1 1   13    1    8 f  487.778   4.1391 15081.91  256.040 14543.53  351.023 15694.01  374.286  478.497   5.7767  497.058   5.9295 -18.56082 8.278241 
1 1 1   13    1    9 o  662.443   5.3784 27869.98  452.316 28338.31  649.575 27429.15  630.207  667.840   7.6591  657.046   7.5528 10.79437 10.75674 
1 1 1   13    1   10 o  623.856   5.1030 24724.41  404.258 24895.62  575.563 24557.72  567.927  625.986   7.2402  621.726   7.1931 4.260376 10.20594 
1 1 1   13    1   11 o  414.072   3.6632 10843.67  192.118 11516.51  284.612 10280.47  260.392  425.820   5.2632  402.324   5.0965 23.49597 7.326369 
1 1 1   13    1   12 o  793.655   6.3504 40021.09  640.003 39721.90  898.998 40328.54  911.331  790.650   8.9536  796.661   9.0079 -6.011047 12.70077 
1 1 1   13    1   13 o  591.690   4.9175 22238.70  369.489 22121.54  520.151 22358.04  524.956  590.117   6.9409  593.262   6.9678 -3.145020 9.834954 
1 1 1   13    1   14 o  305.126   3.9231  5774.15  141.934  6298.23  255.611  5540.53  170.662  314.886   6.3922  295.366   4.5499 19.52023 7.846103 
1 1 1   13    1   15 o  454.326   4.8959 13158.24  267.550 13256.52  329.873 12969.29  457.390  456.849   5.6859  451.803   7.9719 5.045349 9.791818 
1 1 1   13    1   16 o  117.862   3.6108  882.114   54.035  857.875   75.852  907.089   76.995  116.218   5.1394  119.506   5.0734 -3.287521 7.221681 
1 1 1   13    1   17 o  129.714   3.4241  1065.72   56.125  1222.48   81.667  925.417   77.263  138.729   4.6355  120.699   5.0407 18.03059 6.848118 
1 1 1   13    1   18 o  391.383   3.6313  9725.80  180.376  9960.33  260.681  9510.37  249.844  395.903   5.1849  386.863   5.0855 9.040100 7.262645 
1 1 1   13    1   19 o  322.444   3.2703  6605.46  133.873  6707.25  192.151  6509.44  186.621  324.855   4.6577  320.033   4.5919 4.821930 6.540618 
1 1 1   13    1   20 f  239.680   3.0750  3651.19   93.594  3626.13  132.267  3676.31  132.456  238.856   4.3605  240.504   4.3368 -1.648209 6.149964 
1 1 1   13    1   21 o  200.217   3.0912  2543.84   78.482  2625.88  114.772  2471.79  107.559  203.240   4.4468  197.194   4.2951 6.045654 6.182415 
1 1 1   13    1   22 o   33.215   8.4315   38.606   51.690  111.854   72.842 -35.6947   73.363   41.641   12.655   24.789   11.145 16.85120 16.86301 
1 1 1   13    1   23 o   26.040   8.1415 -34.6950   54.944   8.7518   76.229 -81.6692   79.263   29.140   12.220   22.940   10.761 6.200474 16.28307 
1 1 1   13    1   24 o  167.553   3.5106  1787.92   74.654  1742.97  106.510  1831.34  104.668  165.473   5.0686  169.633   4.8587 -4.159958 7.021228 
1 1 1   13    1   25 o  479.523   6.1116 14661.83  372.173 14661.83  372.173   0.0000   0.0000  479.523   6.1116  ?   ?       ?      ? 
1 1 1   13    1   26 f  418.576   5.7386 11172.52  305.040 11172.52  305.040   0.0000   0.0000  418.576   5.7386  ?   ?       ?      ? 
1 1 1   13    1   27 o  139.862   4.6209  1247.97   82.006  1191.45  113.360  1310.01  118.778  136.545   6.5374  143.178   6.5325 -6.633163 9.241816 
1 1 1   13    1   28 o  146.488   4.4814  1372.87   83.349  1411.86  118.537  1334.74  117.221  148.555   6.2833  144.422   6.3914 4.132690 8.962718 
1 1 1   13    1   29 o  128.513   4.8702  1055.06   78.843  881.360  107.396  1258.11  116.117  117.032   7.2261  139.995   6.5314 -22.96383 9.740417 
1 1 1   13    1   30 f  150.055   4.6072  1455.63   87.472  1513.16  120.250  1390.99  127.472  153.327   6.1758  146.783   6.8385 6.543671 9.214414 
1 1 1   13    1   31 o  140.527   5.8312  1295.13  104.045  1293.33  148.479  1296.88  145.839  140.387   8.3284  140.668   8.1639 -0.2815247 11.66243 
1 1 1   13    1   32 o  168.394   4.4012  1844.15   93.942  1820.11  128.629  1871.63  137.526  167.331   6.0532  169.458   6.3907 -2.126633 8.802371 
1 1 1   13    3    0 o  789.940   6.3213 39655.68  634.034 40146.79  906.276 39184.87  887.342  794.726   8.9798  785.154   8.8993 9.570984 12.64258 
1 1 1   13    3    1 o  742.530   5.9665 35023.78  562.402 35684.40  808.847 34405.46  782.520  749.299   8.5003  735.760   8.3749 13.53973 11.93291 
1 1 1   13    3    2 o  134.980   2.6385  1159.36   45.079  1188.88   61.774  1125.74   65.932  136.823   3.5552  133.138   3.8996 3.684891 5.276941 
1 1 1   13    3    3 o  682.643   5.5253 29608.79  478.940 29340.14  671.349 29887.21  683.459  679.492   7.7801  685.793   7.8477 -6.300781 11.05063 
1 1 1   13    3    4 o  335.053   3.1527  7121.06  134.051  7373.93  193.993  6889.96  185.450  340.738   4.4832  329.367   4.4337 11.37067 6.305309 
1 1 1   13    3    5 o  946.599   7.4789 56972.23  899.043 57116.50  1274.31 56829.25  1268.59  947.791   10.587  945.407   10.566 2.383728 14.95787 
1 1 1   13    3    6 o  478.847   4.0761 14457.59  246.663 15637.54  371.858 13530.50  329.616  496.161   5.9017  461.533   5.6238 34.62738 8.152113 
1 1 1   13    3    7 o  1039.66   8.1828 68719.80  1080.17 69551.15  1545.51 67925.93  1510.27  1045.80   11.637  1033.52   11.507 12.27332 16.36556 
1 1 1   13    3    8 o  623.187   5.0971 24670.18  403.340 24442.67  565.473 24905.81  575.477  620.264   7.1789  626.110   7.2377 -5.845825 10.19415 
1 1 1   13    3    9 o  662.850   6.6305 27688.68  520.045 28573.40  928.520 27284.30  627.741  670.388   10.907  655.312   7.5432 15.07593 13.26094 
1 1 1   13    3   10 o  465.674   4.0132 13746.82  237.022 14289.93  346.146 13267.36  325.230  474.315   5.7467  457.033   5.6036 17.28186 8.026454 
1 1 1   13    3   11 o  729.682   5.8851 33793.64  544.905 34695.37  789.861 32974.75  752.706  738.955   8.4170  720.409   8.2275 18.54553 11.77017 
1 1 1   13    3   12 o  834.586   6.6666 44248.95  706.412 44842.94  1011.88 43684.23  986.634  840.045   9.4853  829.128   9.3704 10.91620 13.33319 
1 1 1   13    3   13 o  665.118   5.4391 28099.85  459.361 27806.04  643.942 28404.28  655.480  661.580   7.6646  668.656   7.7193 -7.076538 10.87811 
1 1 1   13    3   14 o  546.403   4.6178 18964.01  320.410 19056.92  455.700 18873.16  450.600  547.726   6.5515  545.080   6.5096 2.645874 9.235594 
1 1 1   13    3   15 o  577.391   4.8222 21118.23  352.858 22088.18  519.621 20288.21  480.683  589.654   6.9392  565.128   6.6978 24.52631 9.644374 
1 1 1   13    3   16 o   94.859   4.1051  575.959   48.765  691.935   69.383  462.744   68.552  104.371   5.2347   85.346   6.3249 19.02525 8.210191 
1 1 1   13    3   17 o  403.892   3.6834 10355.86  188.798 10579.04  273.077 10151.49  261.313  408.054   5.2697  399.729   5.1478 8.325195 7.366782 
1 1 1   13    3   18 o  205.940   2.9824  2693.15   77.971  2755.33  112.046  2634.76  108.572  208.243   4.2369  203.637   4.1984 4.605820 5.964710 
1 1 1   13    3   19 o  185.257   3.0586  2175.86   71.861  2333.39  104.394  2033.99   99.070  191.616   4.2901  178.898   4.3607 12.71773 6.117231 
1 1 1   13    3   20 o  102.591   4.1308  672.619   53.501  635.046   78.700  704.903   72.951   99.903   6.2033  105.279   5.4565 -5.376167 8.261596 
1 1 1   13    3   21 o  236.020   3.0459  3540.82   91.252  3553.79  131.144  3528.65  127.053  236.435   4.3678  235.605   4.2464 0.8301239 6.091737 
1 1 1   13    3   22 o  223.916   3.1352  3190.94   89.073  3072.46  126.911  3305.96  125.047  219.808   4.5465  228.024   4.3183 -8.216507 6.270469 
1 1 1   13    3   23 o   78.614   5.7574  397.081   56.992  454.071   80.343  339.359   80.857   84.361   7.4994   72.867   8.7379 11.49312 11.51487 
1 1 1   13    3   24 o  187.401   4.1681  2218.50   93.600  2180.36  114.278  2296.24  163.146  185.082   4.8621  189.720   6.7715 -4.638824 8.336241 
1 1 1   13    3   25 o   38.870   9.0675   17.698   71.641  202.090  100.528 -172.5927  102.123   54.765   14.300   22.974   11.153 31.79095 18.13507 
1 1 1   13    3   26 f  237.256   3.5392  3587.54  106.587  3470.64  150.982  3703.69  150.492  233.388   5.0941  241.125   4.9147 -7.737366 7.078418 
1 1 1   13    3   27 o  154.393   4.0373  1520.25   79.066  1419.70  110.257  1626.70  113.444  149.126   5.8220  159.660   5.5951 -10.53448 8.074697 
1 1 1   13    3   28 o  140.507   4.3721  1262.99   77.914  1255.54  107.384  1271.27  113.223  140.095   6.0358  140.918   6.3269 -0.8228455 8.744208 
1 1 1   13    3   29 o  131.889   4.7631  1126.79   79.022  1289.24  110.977  959.708  112.548  141.738   6.1655  122.040   7.2620 19.69821 9.526279 
1 1 1   13    3   30 o   66.560   9.1244  344.631   86.686  616.971  117.056   13.885  128.998   96.877   9.5146   36.243   15.572 60.63405 18.24880 
1 1 1   13    3   31 o   81.468   12.200  495.718  119.368  511.822  194.018  485.910  151.417   81.102   19.145   81.834   15.127 -0.7324905 24.40032 
1 1 1   13    3   32 o   62.936   13.545  337.627  121.024  257.974  196.420  386.373  153.657   56.039   20.770   69.832   17.392 -13.79366 27.09010 
1 1 1   13    5    1 o  395.115   3.6177  9916.91  181.505 10006.13  255.560  9826.11  257.828  396.909   5.0702  393.321   5.1618 3.588776 7.235429 
1 1 1   13    5    2 o  304.554   3.0870  5875.18  119.147  5662.47  162.313  6123.72  175.451  298.594   4.2805  310.515   4.4494 -11.92065 6.174095 
1 1 1   13    5    3 o  499.274   4.2584 15804.89  269.702 16470.37  392.835 15211.53  370.939  509.195   6.0750  489.353   5.9690 19.84210 8.516757 
1 1 1   13    5    4 o  1140.43   8.9608 82447.56  1294.24 86478.91  1917.37 79073.29  1754.17  1165.91   12.950  1114.96   12.389 50.94739 17.92167 
1 1 1   13    5    5 o  582.226   4.8232 21535.60  356.616 21528.84  502.907 21542.43  505.767  582.135   6.8028  582.317   6.8393 -0.1821289 9.646457 
1 1 1   13    5    6 o  839.154   8.2804 43694.82  805.594 42205.93  952.601 47433.26  1509.47  814.909   9.2050  863.400   13.767 -48.49103 16.56076 
1 1 1   13    5    7 o  932.220   7.3871 55231.63  874.339 54569.59  1221.46 55927.30  1252.11  926.499   10.381  937.940   10.512 -11.44098 14.77426 
1 1 1   13    5    8 o  1013.25   8.0039 65269.96  1029.80 65859.45  1468.98 64700.32  1444.05  1017.75   11.366  1008.76   11.272 8.984741 16.00771 
1 1 1   13    5    9 o  478.684   4.1116 14553.77  249.937 14642.97  354.678 14465.78  352.262  480.140   5.8169  477.227   5.8125 2.913818 8.223202 
1 1 1   13    5   10 o  247.047   2.8042  3873.70   87.945  3796.73  122.402  3955.83  126.442  244.512   3.9419  249.582   3.9893 -5.069870 5.608353 
1 1 1   13    5   11 o  537.495   6.4472 18350.96  440.073 18350.96  440.073   0.0000   0.0000  537.495   6.4472  ?   ?       ?      ? 
1 1 1   13    5   12 o  499.215   4.3260 15827.35  274.223 15970.69  391.374 15689.12  384.342  501.435   6.1461  496.996   6.0896 4.438324 8.652023 
1 1 1   13    5   13 o  1442.44   15.954 132714.09  2921.74 131034.80  4078.75 134484.00  4187.30  1433.12   22.411  1451.77   22.712 -18.64587 31.90785 
1 1 1   13    5   14 o  762.840   6.1610 36978.14  596.836 37141.66  847.643 36817.37  840.508  764.511   8.7307  761.169   8.6953 3.342468 12.32208 
1 1 1   13    5   15 o  935.621   7.4485 55582.73  884.050 54048.32  1216.45 57300.29  1287.00  921.974   10.390  949.269   10.676 -27.29498 14.89706 
1 1 1   13    5   16 o  254.590   2.9532  4113.78   95.440  4264.36  137.130  3972.32  132.913  259.105   4.1675  250.075   4.1852 9.029953 5.906327 
1 1 1   13    5   17 o  602.038   5.0134 23053.68  383.287 23107.68  544.423 23000.61  539.707  602.734   7.1127  601.342   7.0674 1.391296 10.02688 
1 1 1   13    5   18 o  264.574   3.0106  4445.92  101.097  4518.21  145.895  4379.14  140.219  266.639   4.3086  262.509   4.2061 4.130310 6.021276 
1 1 1   13    5   19 o  276.168   3.0531  4836.58  106.952  5095.63  155.777  4605.57  147.103  283.147   4.3322  269.189   4.3032 13.95804 6.106190 
1 1 1   13    5   20 o  139.018   3.2372  1227.29   57.113  1170.86   79.362  1287.91   82.256  135.706   4.6051  142.330   4.5509 -6.623428 6.474341 
1 1 1   13    5   21 o  297.060   3.2035  5611.63  120.832  5490.93  170.712  5732.82  171.054  293.855   4.5746  300.266   4.4859 -6.411102 6.407046 
1 1 1   13    5   22 o  171.150   3.1336  1862.68   68.099  1817.52   95.750  1908.89   96.871  169.050   4.4601  173.251   4.4029 -4.200760 6.267269 
1 1 1   13    5   23 o  200.247   3.1274  2548.04   79.483  2659.63  114.584  2444.54  110.348  204.468   4.4129  196.025   4.4328 8.443542 6.254832 
1 1 1   13    5   24 o  214.323   3.2733  2917.95   89.003  2780.92  122.732  3069.95  129.260  209.027   4.6236  219.619   4.6346 -10.59279 6.546537 
1 1 1   13    5   25 o  179.607   3.8332  2047.43   87.232  1928.03  118.593  2188.20  128.762  173.931   5.3691  185.282   5.4724 -11.35059 7.666474 
1 1 1   13    5   26 o   75.065   10.908  397.841   78.928  340.351  187.793  410.176   86.984   70.186   20.064   79.944   8.5679 -9.758034 21.81654 
1 1 1   13    5   27 o  206.762   4.6020  2678.39  101.923  2843.72  214.663  2630.28  115.809  210.373   8.0351  203.151   4.4890 7.222015 9.203973 
1 1 1   13    5   28 o  106.762   8.4357  759.306   83.662  732.095  205.745  764.696   91.574  104.361   15.524  109.164   6.6057 -4.802559 16.87131 
1 1 1   13    5   29 o   85.754   9.6219  463.176   79.588  569.870  189.099  440.208   87.737   89.209   17.316   82.298   8.3949 6.910652 19.24387 
1 1 1   13    5   30 o  280.127   5.8275  4932.99  200.954  5965.50  338.172  4369.38  249.852  301.269   8.8391  258.985   7.5968 42.28378 11.65507 
1 1 1   13    5   31 o   44.637   12.793  107.635  115.769   16.982  191.462  159.881  145.351   41.355   18.336   47.918   17.846 -6.563545 25.58633 
1 1 1   13    5   32 o  138.389   8.3240  1393.09  135.197  1199.20  228.712  1497.23  167.618  127.768   14.096  149.010   8.8579 -21.24226 16.64791 
1 1 1   13    7    0 f  460.699   5.6165 13481.37  328.594 13481.37  328.594   0.0000   0.0000  460.699   5.6165  ?   ?       ?      ? 
1 1 1   13    7    1 o  310.104   3.5679  5946.62  120.385  5802.06  137.495  6421.46  249.190  302.264   3.5820  317.944   6.1717 -15.68048 7.135808 
1 1 1   13    7    2 o  441.328   4.4735 12453.85  218.941 12540.57  254.348 12205.79  430.177  444.361   4.5073  438.295   7.7286 6.066589 8.946926 
1 1 1   13    7    3 o  662.006   6.2107 28075.07  457.519 28320.69  532.734 27384.79  893.089  667.704   6.2827  656.308   10.715 11.39642 12.42148 
1 1 1   13    7    4 o  832.929   7.6191 44846.20  715.267 45748.60  841.398 42494.84  1358.20  848.539   7.8082  817.319   13.086 31.21942 15.23813 
1 1 1   13    7    5 f  1096.61   9.9999 75945.81  1192.89 75415.74  1367.96 77628.21  2437.09  1089.27   9.8892  1103.95   17.384 -14.67932 19.99990 
1 1 1   13    7    6 o  456.258   4.6037 13254.33  230.590 13284.79  266.184 13162.73  461.592  457.359   4.5830  455.156   7.9858 2.203827 9.207447 
1 1 1   13    7    7 o  752.412   6.9924 36107.30  581.336 36239.58  673.529 35720.88  1151.16  755.295   7.0220  749.529   12.094 5.766785 13.98479 
1 1 1   13    7    8 o  485.193   4.8595 15022.81  258.485 15091.01  298.353 14817.55  517.592  487.462   4.8196  482.924   8.4398 4.538330 9.718980 
1 1 1   13    7    9 o  446.905   4.6514 12748.67  225.985 12807.12  259.795 12566.91  458.108  449.067   4.5556  444.744   8.1111 4.322632 9.302865 
1 1 1   13    7   10 o  972.131   9.4346 60492.63  1110.94 61432.42  1383.42 58786.08  1864.23  983.072   11.081  961.189   15.273 21.88342 18.86922 
1 1 1   13    7   11 f  452.777   4.9908 13179.42  272.874 13548.48  339.742 12508.57  458.045  461.851   5.7925  443.704   8.1290 18.14722 9.981696 
1 1 1   13    7   12 o  508.448   5.4475 16400.20  331.137 16351.94  404.682 16497.99  576.048  507.369   6.2808  509.527   8.9025 -2.158173 10.89509 
1 1 1   13    7   13 o  282.889   4.8373  5064.59  173.275  5330.69  257.156  4843.31  234.503  289.665   6.9907  276.112   6.6878 13.55258 9.674576 
1 1 1   13    7   14 o  309.998   4.8299  6094.25  189.895  6340.65  277.312  5876.70  260.573  315.884   6.9130  304.113   6.7471 11.77075 9.659834 
1 1 1   13    7   15 o  404.111   5.3948 10383.32  276.580 10426.97  400.602 10343.57  382.324  404.909   7.7907  403.313   7.4647 1.595947 10.78967 
1 1 1   13    7   16 o  291.734   4.7423  5398.68  175.346  5645.42  258.013  5186.91  239.029  297.902   6.8201  285.566   6.5912 12.33633 9.484592 
1 1 1   13    7   17 o  620.601   7.3785 24582.47  581.500 24565.16  824.752 24599.58  819.997  620.373   10.469  620.828   10.401 -0.4554443 14.75699 
1 1 1   13    7   18 o  119.004   6.4765  901.770   97.791  856.568  135.248  951.289  141.561  115.883   9.1904  122.126   9.1277 -6.243050 12.95293 
1 1 1   13    7   19 o  250.444   4.9147  3994.48  156.306  4011.30  221.839  3977.90  220.270  250.967   6.9606  249.922   6.9402 1.044846 9.829355 
1 1 1   13    7   20 o  348.561   5.1500  7711.92  227.217  8118.73  338.160  7377.07  306.793  356.875   7.4616  340.247   7.1002 16.62762 10.29991 
1 1 1   13    7   21 o  267.848   5.0114  4591.43  169.631  4364.60  248.722  4788.69  231.945  261.576   7.4875  274.121   6.6629 -12.54465 10.02287 
1 1 1   13    7   22 o  362.357   5.3436  8374.52  245.517  8541.46  358.700  8227.37  336.764  365.706   7.7236  359.008   7.3866 6.698273 10.68720 
1 1 1   13    7   23 o  209.387   5.4932  2820.64  144.973  2615.38  213.536  2996.14  197.453  202.173   8.3171  216.602   7.1783 -14.42888 10.98645 
1 1 1   13    7   24 o  102.078   12.005  856.730  134.410  283.350  214.289  1228.62  172.579   65.907   21.906  138.249   9.8298 -72.34261 24.01079 
1 1 1   13    7   25 o   77.384   11.963  391.321  117.595  560.144  179.549  264.505  155.616   92.375   15.306   62.392   18.390 29.98246 23.92636 
1 1 1   13    7   26 o  374.547   5.6002  9011.94  266.213  8679.24  377.205  9342.10  375.765  367.571   8.0809  381.523   7.7556 -13.95218 11.20046 
1 1 1   13    7   27 o   99.734   11.166  686.248  132.694  633.692  212.778  719.696  169.746   94.973   18.306  104.495   12.792 -9.521759 22.33218 
1 1 1   13    7   28 o   92.512   10.961  589.015  125.794  649.060  183.590  535.877  172.707   97.787   14.784   87.237   16.185 10.55020 21.92108 
1 1 1   13    7   29 o   34.422   11.648 -293.1106  154.472 -613.3247  242.053 -73.0929  200.641   29.580   14.839   39.264   17.958 -9.683872 23.29559 
1 1 1   13    7   30 o   41.795   12.644   51.797  119.633   79.702  171.069   25.087  167.365   43.599   18.297   39.992   17.456 3.607540 25.28786 
1 1 1   13    7   31 o  127.366   8.8080  1135.51  134.383  1186.09  232.445  1110.12  164.695  127.294   14.379  127.437   10.177 -0.1433487 17.61605 
1 1 1   13    9    0 f  797.724   7.8127 40888.53  760.750 42108.38  960.156 38831.23  1246.91  814.015   9.2882  781.432   12.565 32.58301 15.62540 
1 1 1   13    9    1 o  604.822   5.7788 23494.89  391.650 23786.93  458.222 22703.12  754.485  611.963   5.8962  597.681   9.9404 14.28217 11.55754 
1 1 1   13    9    2 o  562.797   5.8297 20020.88  392.484 19819.73  479.111 20431.27  684.343  558.579   6.7542  567.015   9.5039 -8.435913 11.65948 
1 1 1   13    9    3 o  361.647   4.0417  8579.46  166.260  8952.66  197.942  7685.42  306.370  375.465   4.1514  347.830   6.9359 27.63428 8.083325 
1 1 1   13    9    4 o  673.495   6.3897 28690.16  470.834 28563.36  541.716 29081.84  952.058  670.586   6.3612  676.403   11.084 -5.817017 12.77931 
1 1 1   13    9    5 o  760.245   7.0149 37683.12  609.712 39012.03  726.570 34519.46  1121.05  783.647   7.3009  736.844   11.980 46.80304 14.02975 
1 1 1   13    9    6 o  820.476   7.5634 43417.16  697.032 44162.38  817.665 41435.63  1333.32  833.750   7.7226  807.202   13.007 26.54749 15.12670 
1 1 1   13    9    7 o  371.784   7.4265  8781.11  350.631   0.0000   0.0000  8781.11  350.631  ?   ?   371.784   7.4265      ?      ? 
1 1 1   13    9    8 o  1042.90   9.4575 70161.62  1108.71 71331.72  1301.03 67058.12  2118.86  1059.43   9.6702  1026.37   16.256 33.06116 18.91498 
1 1 1   13    9    9 o  720.719   6.7582 33436.49  544.416 33920.73  636.412 32115.29  1051.22  730.731   6.8581  710.706   11.647 20.02460 13.51637 
1 1 1   13    9   10 o  482.001   4.9087 14906.24  260.407 15056.96  301.594 14464.72  516.208  486.900   4.8776  477.103   8.5199 9.796692 9.817325 
1 1 1   13    9   11 o  306.459   3.8626  5974.06  124.641  5980.72  141.214  5950.58  265.161  306.879   3.6235  306.040   6.8227 0.8390198 7.725210 
1 1 1   13    9   12 o  584.573   7.0135 21714.36  520.193 22235.41  754.953 21243.36  717.782  591.229   10.055  577.917   9.7802 13.31146 14.02705 
1 1 1   13    9   13 o  617.669   7.3172 24288.57  573.792 24633.74  823.261 23962.50  800.161  621.922   10.424  613.417   10.272 8.505005 14.63432 
1 1 1   13    9   14 o   69.985   11.515  318.172   99.556  388.713  155.658  269.340  129.508   76.388   16.526   63.583   16.040 12.80544 23.03059 
1 1 1   13    9   15 o  332.142   5.0243  7019.82  211.779  7064.18  305.599  6978.83  293.754  333.138   7.2235  331.146   6.9853 1.992279 10.04859 
1 1 1   13    9   16 o  189.591   5.1989  2292.52  124.040  2260.76  187.816  2317.09  165.192  188.386   7.8506  190.795   6.8178 -2.408325 10.39782 
1 1 1   13    9   17 o  169.645   5.4818  1833.83  118.009  1740.49  165.768  1929.75  168.035  165.256   7.8989  174.033   7.6031 -8.777039 10.96352 
1 1 1   13    9   18 o  205.966   4.9938  2675.29  129.442  2900.05  199.647  2512.30  170.018  213.323   7.3697  198.609   6.7409 14.71390 9.987594 
1 1 1   13    9   19 o  135.983   6.8156  1177.67  116.344  1213.78  179.799  1151.66  152.598  137.703   10.282  134.264   8.9498 3.439072 13.63129 
1 1 1   13    9   20 f  184.999   5.7968  2231.74  133.095  1907.36  201.340  2483.51  177.379  172.669   9.1820  197.329   7.0784 -24.65971 11.59364 
1 1 1   13    9   21 o   78.640   18.377  421.841  180.223  421.841  180.223   0.0000   0.0000   78.640   18.377  ?   ?       ?      ? 
1 1 1   13    9   22 o  164.202   6.7202  1770.50  135.821  1535.81  211.596  1934.96  177.127  154.485   10.786  173.919   8.0197 -19.43488 13.44045 
1 1 1   13    9   23 f   30.341   10.356 -245.2377  116.798 -243.8046  183.769 -246.2088  151.283   32.573   15.596   28.108   13.629 4.464743 20.71222 
1 1 1   13    9   24 o  171.930   6.6137  1905.86  143.516  1861.79  213.736  1942.05  193.670  169.980   9.9015  173.879   8.7708 -3.898865 13.22748 
1 1 1   13    9   25 o  127.901   8.9856  1086.23  139.979  1009.05  228.344  1132.69  177.173  123.622   14.545  132.181   10.555 -8.559677 17.97119 
1 1 1   13    9   26 o  110.591   10.817  861.221  140.238  691.528  220.598  976.314  181.674   99.212   18.179  121.969   11.729 -22.75761 21.63427 
1 1 1   13    9   27 o  119.677   8.7455  948.462  132.444  1044.56  197.386  869.763  178.624  125.127   12.422  114.227   12.314 10.90083 17.49100 
1 1 1   13    9   28 o  229.561   6.5796  3291.66  185.327  4206.69  315.982  2811.84  228.815  252.083   9.8705  207.039   8.7027 45.04424 13.15922 
1 1 1   13    9   29 o   32.745   11.081 -182.9521  126.304 -117.9765  200.455 -225.7322  162.654   36.585   17.146   28.905   14.042 7.680498 22.16255 
1 1 1   13    9   30 o   60.785   14.203  321.569  128.372  278.625  208.023  347.982  163.141   56.952   21.322   64.617   18.768 -7.664299 28.40535 
1 1 1   13   11    0 o  296.214   4.0965  5430.73  143.033  5206.01  171.070  5952.78  260.744  286.308   4.7050  306.121   6.7072 -19.81308 8.192951 
1 1 1   13   11    1 o  269.152   6.5967  4601.75  225.476   0.0000   0.0000  4601.75  225.476  ?   ?   269.152   6.5967      ?      ? 
1 1 1   13   11    2 o  460.593   4.8468 13363.86  247.806 13246.52  286.901 13708.56  491.731  456.695   4.9468  464.492   8.3363 -7.796600 9.693537 
1 1 1   13   11    3 f  258.776   3.8681  4102.92  111.646  3949.29  128.753  4568.54  224.150  249.374   4.0657  268.178   6.5817 -18.80452 7.736165 
1 1 1   13   11    4 f  776.790   7.2411 38628.34  626.734 38930.71  730.120 37781.66  1221.74  782.807   7.3445  770.774   12.482 12.03308 14.48223 
1 1 1   13   11    5 o  1075.86   9.7519 74470.11  1175.16 75425.46  1374.86 71879.23  2264.12  1089.33   9.9385  1062.40   16.782 26.93420 19.50377 
1 1 1   13   11    6 o  919.697   8.4159 54457.91  867.428 55230.53  1015.47 52372.45  1668.35  932.262   8.5774  907.132   14.482 25.12939 16.83184 
1 1 1   13   11    7 o  523.829   5.2361 17410.15  300.523 17385.73  346.267 17484.67  604.985  523.177   5.2118  524.481   9.0832 -1.304443 10.47216 
1 1 1   13   11    8 o  449.210   4.6996 12710.57  228.479 12610.72  261.315 13034.67  470.789  445.578   4.6181  452.842   8.1866 -7.265015 9.399285 
1 1 1   13   11    9 o  528.007   5.2499 17655.16  302.473 17590.67  347.638 17856.08  613.642  526.188   5.2025  529.825   9.1202 -3.636414 10.49971 
1 1 1   13   11   10 o  570.267   5.5813 20665.12  348.477 20643.44  401.437 20731.39  701.958  569.927   5.5465  570.607   9.6872 -0.6802979 11.16265 
1 1 1   13   11   11 o  158.489   4.0378  1587.20   57.217  1583.24   61.841  1610.77  150.794  157.877   3.0845  159.100   7.4634 -1.223312 8.075634 
1 1 1   13   11   12 o  370.857   5.2809  8752.21  248.495  8826.73  359.657  8684.14  343.734  372.349   7.6061  369.364   7.3281 2.984558 10.56187 
1 1 1   13   11   13 o  210.990   4.8830  2842.47  130.394  2682.52  188.758  2988.46  180.340  205.270   7.2411  216.711   6.5529 -11.44106 9.765965 
1 1 1   13   11   14 o  395.468   5.4211  9950.08  272.057 10298.23  394.076  9633.06  376.050  402.060   7.7181  388.876   7.6148 13.18445 10.84223 
1 1 1   13   11   15 o  301.502   4.9567  5770.29  189.177  6020.91  281.160  5562.97  255.718  307.439   7.2014  295.566   6.8129 11.87308 9.913399 
1 1 1   13   11   16 o  255.559   5.0679  4156.46  163.217  4203.19  247.170  4120.33  217.343  256.777   7.5799  254.340   6.7290 2.437225 10.13581 
1 1 1   13   11   17 o  210.249   5.1202  2811.02  136.463  2935.48  200.427  2703.47  186.320  214.562   7.3557  205.936   7.1244 8.626709 10.24033 
1 1 1   13   11   18 o  252.921   5.0351  4081.53  160.898  4066.64  239.708  4093.74  217.062  252.443   7.4772  253.400   6.7453 -0.9569244 10.07014 
1 1 1   13   11   19 o  280.676   5.1396  5038.11  182.722  4886.76  265.747  5173.83  251.646  276.608   7.5653  284.745   6.9591 -8.136475 10.27927 
1 1 1   13   11   20 o  233.121   5.7899  3473.70  169.934  3503.11  258.243  3451.24  225.682  233.878   8.6949  232.365   7.6480 1.513077 11.57984 
1 1 1   13   11   21 o  288.395   5.8857  5352.21  213.761  5122.07  319.683  5538.32  287.482  282.577   8.9085  294.214   7.6943 -11.63669 11.77131 
1 1 1   13   11   22 o  170.886   6.8024  1870.04  146.177  1940.23  224.611  1818.46  192.528  173.518   10.193  168.255   9.0105 5.262924 13.60478 
1 1 1   13   11   23 o   82.211   13.493  477.264  138.112  419.381  205.741  524.745  186.338   77.121   20.612   87.302   17.418 -10.18157 26.98603 
1 1 1   13   11   24 o  182.915   6.6737  2149.62  151.316  2236.54  243.895  2095.23  192.938  185.550   10.351  180.279   8.4274 5.270554 13.34749 
1 1 1   13   11   25 o  241.285   5.7407  3777.22  173.726  3686.98  265.590  3844.70  229.676  238.388   8.7730  244.182   7.4067 -5.793701 11.48149 
1 1 1   13   11   26 o   41.255   12.927 -28.3907  138.071 -136.2597  208.857   55.347  184.018   37.940   17.689   44.569   18.854 -6.628792 25.85329 
1 1 1   13   11   27 o  137.022   10.462  1335.43  177.056  1652.12  249.662  1014.98  251.134  155.370   12.653  118.673   16.664 36.69686 20.92350 
1 1 1   13   13    0 o  390.560   5.2119  9690.57  258.502  9690.57  258.502   0.0000   0.0000  390.560   5.2119  ?   ?       ?      ? 
1 1 1   13   13    1 o   99.800   4.4701  630.677   56.476  660.255   83.933  606.207   76.343  101.928   6.4842   97.672   6.1549 4.256821 8.940267 
1 1 1   13   13    2 o  585.111   6.0259 21891.71  424.612 22151.90  524.844 21398.77  722.409  590.326   7.0010  579.896   9.8097 10.43011 12.05173 
1 1 1   13   13    3 o  186.900   4.1884  2238.17   92.017  2268.86  111.235  2171.64  163.772  188.979   4.6350  184.822   6.9777 4.156784 8.376816 
1 1 1   13   13    4 o  349.072   4.1380  7802.33  164.055  7874.82  193.315  7615.76  310.140  352.070   4.3237  346.075   7.0568 5.995270 8.276083 
1 1 1   13   13    5 o  186.648   3.9321  2090.41   84.394  1939.40   98.489  2507.65  163.711  174.709   4.4391  198.587   6.4916 -23.87814 7.864205 
1 1 1   13   13    6 o  180.935   4.0961  2128.13   85.246  2196.00  101.900  1969.88  155.596  185.902   4.3163  175.969   6.9628 9.933197 8.192144 
1 1 1   13   13    7 o  207.581   3.9686  2669.29   92.559  2592.46  107.384  2891.35  182.555  201.983   4.1865  213.178   6.7433 -11.19524 7.937193 
1 1 1   13   13    8 o  174.276   4.1369  1979.39   79.390  2030.32   92.361  1835.29  155.352  178.747   4.0688  169.804   7.2043 8.942780 8.273859 
1 1 1   13   13    9 o  179.300   3.8687  2003.17   75.644  1965.31   86.600  2125.06  155.379  175.864   3.8776  182.735   6.6956 -6.871185 7.737383 
1 1 1   13   13   10 f  569.552   5.5713 20850.52  352.027 21049.35  409.388 20286.38  689.598  575.278   5.6038  563.825   9.6311 11.45300 11.14268 
1 1 1   13   13   11 o  264.337   3.7586  4349.27  102.551  4283.38  114.876  4607.88  227.579  259.636   3.4841  269.039   6.6610 -9.402130 7.517148 
1 1 1   13   13   12 o   79.467   6.6554  391.581   38.850  389.000   40.717  417.810  129.792   78.229   4.0986   80.705   12.664 -2.476135 13.31071 
1 1 1   13   13   13 o  208.147   4.9125  2751.13  129.358  2859.75  192.970  2662.49  174.326  211.842   7.1730  204.451   6.7142 7.391754 9.825094 
1 1 1   13   13   14 o  344.674   5.2417  7577.59  229.242  7191.37  323.113  7969.04  325.293  335.796   7.5771  353.553   7.2451 -17.75702 10.48348 
1 1 1   13   13   15 o  113.419   7.7263  842.472  108.863  676.169  159.164  988.659  149.228  102.535   12.223  124.303   9.4535 -21.76791 15.45254 
1 1 1   13   13   16 o  214.675   5.1948  2926.87  140.892  3081.83  212.269  2804.84  188.369  219.688   7.6086  209.662   7.0748 10.02519 10.38954 
1 1 1   13   13   17 o  321.128   5.2539  6575.45  213.166  6700.85  319.258  6474.58  286.345  323.797   7.7641  318.458   7.0804 5.339325 10.50778 
1 1 1   13   13   18 o  205.707   6.3046  2700.75  159.164  2755.88  262.244  2668.60  200.268  207.123   9.9701  204.291   7.7194 2.831955 12.60922 
1 1 1   13   13   19 o  323.617   5.3771  6695.67  220.873  6412.33  308.144  6995.08  316.758  316.561   7.6651  330.673   7.5431 -14.11169 10.75418 
1 1 1   13   13   20 o  185.654   6.1376  2210.71  144.555  2356.41  207.656  2073.71  201.355  191.618   8.5335  179.691   8.8238 11.92749 12.27524 
1 1 1   13   13   21 o  178.431   6.4479  2038.17  145.575  2205.39  217.504  1902.48  195.929  184.979   9.2591  171.884   8.9761 13.09546 12.89575 
1 1 1   13   13   22 o  169.937   6.6105  1864.54  142.199  1913.32  210.792  1823.79  192.634  171.867   9.6579  168.007   9.0287 3.860275 13.22094 
1 1 1   13   13   23 o   75.089   11.960  439.538  121.901  148.560  192.329  634.921  157.601   52.340   20.280   97.838   12.685 -45.49767 23.92017 
1 1 1   13   13   24 o   41.456   18.137   2.9359  181.590   0.0000   0.0000   2.9359  181.590  ?   ?    41.456   18.137      ?      ? 
1 1 1   13   15    0 o  440.303   3.9964 12327.17  223.390 12446.60  320.576 12214.43  311.462  442.368   5.7065  438.237   5.5965 4.131073 7.992824 
1 1 1   13   15    1 o  519.151   4.4749 17126.37  294.715 17631.59  428.760 16673.87  405.769  526.384   6.4141  511.918   6.2417 14.46643 8.949803 
1 1 1   13   15    2 o  193.277   3.2632  2373.37   79.816  2390.14  118.086  2359.26  108.302  193.897   4.7957  192.658   4.4266 1.238968 6.526364 
1 1 1   13   15    3 o  223.761   4.6280  3182.92  131.510  3182.92  131.510   0.0000   0.0000  223.761   4.6280  ?   ?       ?      ? 
1 1 1   13   15    4 o  132.472   4.9988  1101.52   75.631  1081.62   88.844  1153.89  144.136  130.410   5.3646  134.535   8.4364 -4.125183 9.997644 
1 1 1   13   15    5 o  227.613   3.9670  3258.35  103.877  3208.79  122.687  3383.83  195.219  224.678   4.2999  230.548   6.6678 -5.870300 7.934025 
1 1 1   13   15    6 o  176.311   4.3039  1970.74   87.211  1960.53  103.186  1996.27  163.171  175.600   4.6272  177.022   7.2584 -1.421829 8.607828 
1 1 1   13   15    7 o  285.164   4.1027  5151.24  137.748  5112.48  165.859  5237.40  247.303  283.558   4.6060  286.770   6.7908 -3.211334 8.205447 
1 1 1   13   15    8 o  366.946   4.3066  8709.55  178.552  8881.13  210.338  8267.05  337.796  373.738   4.4317  360.154   7.3856 13.58389 8.613237 
1 1 1   13   15    9 o  513.715   5.2232 16802.04  295.705 16779.87  341.776 16868.04  589.727  513.551   5.2406  513.880   9.0367 -0.3288574 10.44636 
1 1 1   13   15   10 o  233.781   3.9887  3405.14   99.520  3344.72  112.875  3616.14  210.922  229.376   3.8750  238.186   6.9732 -8.809464 7.977500 
1 1 1   13   15   11 o  276.011   3.9563  4998.92  119.241  5151.72  138.351  4557.53  235.135  284.661   3.8271  267.360   6.9254 17.30185 7.912531 
1 1 1   13   15   12 o  499.561   5.0920 15972.09  279.694 16020.67  323.273 15827.47  557.780  501.692   5.0741  497.430   8.8299 4.261566 10.18393 
1 1 1   13   15   13 o  258.208   3.9278  4322.04  104.924  4378.32  118.471  4117.33  225.958  262.419   3.5550  253.998   7.0052 8.420914 7.855608 
1 1 1   13   15   14 o  495.255   6.4044 15700.18  402.133 16003.71  588.049 15433.55  551.147  499.640   9.2678  490.870   8.8415 8.770599 12.80876 
1 1 1   13   15   15 o  487.205   6.5212 15235.85  403.016 15019.31  581.582 15435.90  558.989  483.740   9.4672  490.671   8.9709 -6.931274 13.04242 
1 1 1   13   15   16 o  315.818   5.6595  6399.57  226.290  6197.07  330.046  6579.20  310.859  310.975   8.3574  320.662   7.6338 -9.687378 11.31903 
1 1 1   13   15   17 o  130.996   8.5745  1144.58  137.250  972.926  215.915  1260.97  177.793  122.082   13.927  139.911   10.007 -17.82971 17.14906 
1 1 1   13   15   18 o  171.231   6.3996  1878.97  138.804  2073.03  203.456  1710.01  189.846  179.497   8.9256  162.964   9.1734 16.53255 12.79912 
1 1 1   13   15   19 o   50.732   13.759  123.015  126.562  192.229  182.249   58.547  175.890   56.002   20.121   45.462   18.772 10.54072 27.51822 
1 1 1   13   15   20 o  271.422   5.4616  4741.79  187.876  4814.98  275.430  4678.09  256.927  273.270   7.9367  269.575   7.5050 3.695190 10.92325 
1 1 1   13   17    0 o  176.031   3.7275  1971.59   82.888  1975.53  123.786  1968.39  111.602  176.171   5.5330  175.892   4.9963 0.2786407 7.454981 
1 1 1   13   17    1 o  264.226   3.3672  4424.74  112.712  4672.71  166.627  4215.57  153.037  271.017   4.8414  257.435   4.6811 13.58212 6.734397 
1 1 1   13   17    2 o  152.443   4.0076  1480.19   77.292  1471.55  114.188  1487.50  105.005  152.014   5.9151  152.872   5.4088 -0.8577118 8.015195 
1 1 1   13   17    3 o  172.523   3.7413  1893.20   81.245  1903.73  123.522  1885.17  107.859  172.919   5.6250  172.127   4.9344 0.7914124 7.482573 
1 1 1   13   17    4 o   54.023   8.8877  204.704   62.016  116.614   97.871  263.804   80.164   43.864   14.807   64.182   9.8353 -20.31845 17.77547 
1 1 1   13   17    5 o  237.420   4.1248  3611.24  113.530  3642.04  135.618  3539.10  207.549  239.276   4.4631  235.563   6.9380 3.712402 8.249577 
1 1 1   13   17    6 f  193.952   4.5332  2447.82  101.507  2522.32  121.623  2276.78  184.272  199.085   4.8106  188.819   7.6849 10.26657 9.066358 
1 1 1   13   17    7 o  144.174   5.2301  1281.72   85.449  1229.83   99.409  1428.56  167.215  138.946   5.6338  149.402   8.8134 -10.45674 10.46017 
1 1 1   13   17    8 f  390.168   4.7488  9596.91  219.621  9396.01  265.177 10035.67  391.884  384.069   5.4369  396.268   7.7874 -12.19867 9.497520 
1 1 1   13   17    9 o   87.866   8.0246  425.799   78.740  358.752   89.335  659.245  166.696   74.795   9.4053  100.938   13.005 -26.14296 16.04919 
1 1 1   13   17   10 o   97.407   8.3281  569.815   98.768  470.683  120.496  772.794  172.421   85.480   11.100  109.333   12.418 -23.85332 16.65616 
1 1 1   13   17   11 o  542.401   5.9284 19025.66  391.262 19496.51  491.345 18209.68  646.831  552.390   7.0043  532.413   9.5667 19.97638 11.85675 
1 1 1   13   17   12 o   33.410   10.169   15.689   66.494   41.548   72.589 -119.1920  165.781   31.912   12.433   34.908   16.096 -2.995947 20.33852 
1 1 1   13   17   13 o  222.883   4.2325  3097.38   98.699  3043.06  111.075  3301.22  215.155  218.665   4.0000  227.102   7.4602 -8.437073 8.464932 
1 1 1   13   17   14 o   67.984   9.6726  347.973   45.415  356.365   47.400  254.019  158.603   74.766   4.9923   61.203   18.690 13.56314 19.34521 
1 1 1   13   17   15 o  345.511   5.4757  7641.59  239.396  7926.65  356.417  7407.28  323.139  351.240   7.9906  339.781   7.4888 11.45901 10.95131 
1 1 1   13   17   16 o   99.333   11.390  686.112  134.610  599.927  212.968  743.450  173.709   92.346   18.799  106.320   12.866 -13.97389 22.78010 
1 1 1   13   19    1 o  263.643   5.6180  4431.33  188.093  4431.33  188.093   0.0000   0.0000  263.643   5.6180  ?   ?       ?      ? 
1 1 1   13   19    2 o  154.189   4.7114  1520.55   92.110  1454.60  131.948  1583.24  128.642  150.893   6.8858  157.485   6.4323 -6.592148 9.422819 
1 1 1   13   19    3 o  214.592   3.8320  2934.90  104.389  2947.91  149.866  2922.65  145.488  215.043   5.4878  214.141   5.3499 0.9021759 7.664076 
1 1 1   13   19    4 o  214.237   5.8717  2927.74  159.747  2927.74  159.747   0.0000   0.0000  214.237   5.8717  ?   ?       ?      ? 
1 1 1   13   19    5 o  310.503   4.6716  6088.17  171.236  5971.00  206.109  6349.25  307.664  306.064   5.3028  314.941   7.6925 -8.877075 9.343165 
1 1 1   13   19    6 o  126.349   6.8582  1009.97   95.155  993.139  109.436  1062.14  192.650  124.639   6.9140  128.059   11.846 -3.419983 13.71630 
1 1 1   13   19    7 o  133.964   6.1653  1115.28   98.341  1050.64  118.343  1259.50  176.779  128.125   7.2733  139.802   9.9572 -11.67712 12.33069 
1 1 1   13   19    8 o   55.164   12.099  206.353   89.873  224.300  106.011  160.499  169.453   57.381   14.533   52.948   19.347 4.432922 24.19711 
1 1 1   13   19    9 o  206.076   4.9185  2775.39  112.875  2839.65  132.060  2601.14  217.454  211.026   4.9278  201.126   8.5138 9.900757 9.837082 
1 1 1   13   19   10 o  209.494   4.8783  2742.65  114.807  2666.17  133.267  2962.76  226.095  204.395   5.1342  214.593   8.2965 -10.19785 9.756659 
1 1 1   13   19   11 o  151.198   6.0471  1504.59   97.630  1531.88  111.855  1417.29  200.044  154.787   5.6904  147.608   10.672 7.178894 12.09411 
1 1 1   13   19   12 o  106.344   7.4478  700.666   77.577  680.339   85.300  797.914  186.578  102.976   6.5229  109.712   13.391 -6.736794 14.89557 
1 1 1   13   19   13 o  257.564   4.6229  4237.86  151.209  4237.86  151.209   0.0000   0.0000  257.564   4.6229  ?   ?       ?      ? 
1 1 1   13   21    0 o   93.265   7.4101  560.373   86.581  601.839  135.796  531.972  112.387   95.992   11.140   90.539   9.7747 5.453178 14.82023 
1 1 1   13   21    1 o   63.973   9.4966  250.128   83.684  527.579  131.194   59.804  108.660   89.765   11.509   38.181   15.109 51.58456 18.99317 
1 1 1   13   21    2 o  149.490   4.7361  1429.58   89.215  1471.88  135.667  1397.35  118.422  151.343   7.0589  147.637   6.3163 3.706131 9.472212 
1 1 1   13   21    3 o  116.075   5.7372  857.163   83.207  937.942  132.160  804.116  107.097  120.413   8.6427  111.737   7.5475 8.675934 11.47433 
1 1 1   13   21    4 o   65.556   9.8575  303.280   78.451  248.296  128.124  336.259   99.227   59.458   16.425   71.653   10.905 -12.19588 19.71507 
1 1 1   13   21    5 o   31.675   10.494 -106.3073   96.752 -94.5321  115.360 -134.2325  177.652   28.285   13.174   35.064   16.337 -6.778570 20.98714 
1 1 1   13   21    6 o   65.245   12.272  294.351   97.916  275.553  117.916  336.101  175.732   62.611   15.022   67.878   19.410 -5.266605 24.54453 
1 1 1   13   21    7 o  118.884   7.9824  938.998  110.002  945.390  131.653  924.214  200.212  120.562   8.5989  117.206   13.451 3.355530 15.96484 
1 1 1   13   21    8 o   40.457   12.533 -43.8531  116.966 -117.6697  141.716  113.880  207.160   30.817   14.435   50.097   20.493 -19.27977 25.06615 
1 1 1   13   23    0 o  118.670   6.7541  978.160   96.729  773.274  151.527  1119.08  125.666  106.671   11.186  130.669   7.5730 -23.99806 13.50818 
1 1 1   13   23    1 o  178.967   4.7772  2072.70  106.271  2154.92  169.855  2019.82  136.227  181.430   7.3721  176.503   6.0776 4.926773 9.554315 
1 1 1   13   23    2 o   86.950   8.2575  521.247   90.328  449.598  128.648  590.916  126.858   80.504   12.584   93.397   10.696 -12.89356 16.51505 
1 1 1   13   23    3 o   51.735   13.205  164.785  105.971  315.562  191.671   98.405  127.176   61.931   20.722   41.540   16.375 20.39098 26.41091 
1 1 1   13   23    4 o   30.183   10.280 -166.0131  110.946 -241.7116  194.481 -129.4928  135.083   31.768   15.415   28.599   13.604 3.169025 20.55929 
1 1 1   13   23    5 o   83.138   17.441  538.206  178.264  538.206  178.264   0.0000   0.0000   83.138   17.441  ?   ?       ?      ? 
1 1 1   14    0    0 o  591.303   4.8661 22216.72  516.598 22216.72  516.598 22216.72  516.598  591.303   6.8817  591.303   6.8817 -0.000000 0.000000 
1 1 1   14    0    1 o  240.955   2.6570  3689.59  114.914  3689.59  114.914  3689.59  114.914  240.955   3.7575  240.955   3.7575 -0.000000 0.000000 
1 1 1   14    0    2 o  286.253   2.8665  5206.65  147.298  5206.65  147.298  5206.65  147.298  286.253   4.0538  286.253   4.0538 -0.000000 0.000000 
1 1 1   14    0    3 o  512.186   4.3067 16668.43  396.028 16668.43  396.028 16668.43  396.028  512.186   6.0906  512.186   6.0906 -0.000000 0.000000 
1 1 1   14    0    4 o  808.225   6.4438 41515.71  935.068 41515.71  935.068 41515.71  935.068  808.225   9.1129  808.225   9.1129 -0.000000 0.000000 
1 1 1   14    0    5 o  313.185   3.0195  6232.17  169.763  6232.17  169.763  6232.17  169.763  313.185   4.2702  313.185   4.2702 -0.000000 0.000000 
1 1 1   14    0    6 o  833.615   6.6354 44164.27  993.111 44164.27  993.111 44164.27  993.111  833.615   9.3838  833.615   9.3838 -0.000000 0.000000 
1 1 1   14    0    7 o  229.764   2.6451  3354.99  109.081  3354.99  109.081  3354.99  109.081  229.764   3.7407  229.764   3.7407 -0.000000 0.000000 
1 1 1   14    0    8 o  423.736   3.7096 11407.85  282.205 11407.85  282.205 11407.85  282.205  423.736   5.2462  423.736   5.2462 -0.000000 0.000000 
1 1 1   14    0    9 o  802.098   6.4032 40884.98  922.133 40884.98  922.133 40884.98  922.133  802.098   9.0555  802.098   9.0555 -0.000000 0.000000 
1 1 1   14    0   10 o  542.124   4.5287 18673.26  440.783 18673.26  440.783 18673.26  440.783  542.124   6.4045  542.124   6.4045 -0.000000 0.000000 
1 1 1   14    0   11 o  431.677   3.7842 11839.29  293.273 11839.29  293.273 11839.29  293.273  431.677   5.3516  431.677   5.3516 -0.000000 0.000000 
1 1 1   14    0   12 o  1089.62   12.130 75539.66  2372.33 75539.66  2372.33 75539.66  2372.33  1089.62   17.154  1089.62   17.154 -0.000000 0.000000 
1 1 1   14    0   13 o  318.791   3.2210  6457.51  184.328  6457.51  184.328  6457.51  184.328  318.791   4.5552  318.791   4.5552 -0.000000 0.000000 
1 1 1   14    0   14 o  844.548   6.7519 45326.44  1023.81 45326.44  1023.81 45326.44  1023.81  844.548   9.5487  844.548   9.5487 -0.000000 0.000000 
1 1 1   14    0   15 o  232.503   3.0074  3436.22  125.483  3436.22  125.483  3436.22  125.483  232.503   4.2531  232.503   4.2531 -0.000000 0.000000 
1 1 1   14    0   16 o  165.634   3.0762  1745.79   91.365  1745.79   91.365  1745.79   91.365  165.634   4.3504  165.634   4.3504 -0.000000 0.000000 
1 1 1   14    0   17 o  345.937   3.3704  7604.79  209.308  7604.79  209.308  7604.79  209.308  345.937   4.7665  345.937   4.7665 -0.000000 0.000000 
1 1 1   14    0   18 o   88.159   5.0131  503.419   78.190  503.419   78.190  503.419   78.190   88.159   7.0895   88.159   7.0895 -0.000000 0.000000 
1 1 1   14    0   19 o  556.468   4.6874 19690.44  468.306 19690.44  468.306 19690.44  468.306  556.468   6.6290  556.468   6.6290 -0.000000 0.000000 
1 1 1   14    0   20 o  112.060   3.9712  804.005   79.464  804.005   79.464  804.005   79.464  112.060   5.6161  112.060   5.6161 -0.000000 0.000000 
1 1 1   14    0   21 o  120.999   3.7947  935.928   82.092  935.928   82.092  935.928   82.092  120.999   5.3665  120.999   5.3665 -0.000000 0.000000 
1 1 1   14    0   22 o  256.829   3.2030  4195.26  147.636  4195.26  147.636  4195.26  147.636  256.829   4.5298  256.829   4.5298 -0.000000 0.000000 
1 1 1   14    0   23 o   20.237   9.2361  -0.9322   78.142  -0.9322   78.142  -0.9322   78.142   20.237   13.062   20.237   13.062 -0.000000 0.000000 
1 1 1   14    0   24 o  522.231   4.5209 17360.75  423.869 17360.75  423.869 17360.75  423.869  522.231   6.3935  522.231   6.3935 -0.000000 0.000000 
1 1 1   14    0   25 f  377.566   3.8146  9072.54  258.543  9072.54  258.543  9072.54  258.543  377.566   5.3946  377.566   5.3946 -0.000000 0.000000 
1 1 1   14    0   26 o   37.492   12.931  134.012  102.630  134.012  102.630  134.012  102.630   37.492   18.287   37.492   18.287 -0.000000 0.000000 
1 1 1   14    0   27 o  309.801   3.5290  6110.85  196.233  6110.85  196.233  6110.85  196.233  309.801   4.9908  309.801   4.9908 -0.000000 0.000000 
1 1 1   14    0   28 o   22.688   10.459  -7.2054  103.679  -7.2054  103.679  -7.2054  103.679   22.688   14.791   22.688   14.791 -0.000000 0.000000 
1 1 1   14    0   29 o  186.595   3.9932  2226.61  133.539  2226.61  133.539  2226.61  133.539  186.595   5.6472  186.595   5.6472 -0.000000 0.000000 
1 1 1   14    0   30 o  128.749   5.8997  1079.61  135.102  1079.61  135.102  1079.61  135.102  128.749   8.3434  128.749   8.3434 -0.000000 0.000000 
1 1 1   14    0   31 o  198.324   4.0211  2524.39  142.956  2524.39  142.956  2524.39  142.956  198.324   5.6867  198.324   5.6867 -0.000000 0.000000 
1 1 1   14    0   32 o   28.576   12.112   69.091  111.271   69.091  111.271   69.091  111.271   28.576   17.129   28.576   17.129 -0.000000 0.000000 
1 1 1   14    2    0 o  424.509   3.7236 11445.15  200.717 11338.59  281.440 11555.45  286.336  422.499   5.2454  426.519   5.2864 -4.019928 7.447185 
1 1 1   14    2    1 o  129.513   2.6542  1065.33   43.539  1066.22   59.472  1064.30   63.915  129.572   3.6143  129.453   3.8879 0.1185150 5.308365 
1 1 1   14    2    2 o  128.978   2.5800  1056.56   42.245  1090.58   59.904  1022.90   59.585  131.044   3.5997  126.912   3.6970 4.132294 5.160015 
1 1 1   14    2    3 o  374.111   3.3880  8841.62  160.442  9484.22  238.952  8314.09  216.503  386.420   4.8694  361.802   4.7121 24.61850 6.776053 
1 1 1   14    2    4 f  448.123   3.8707 12746.34  220.170 13054.78  317.379 12460.20  305.686  453.344   5.5128  442.902   5.4349 10.44165 7.741379 
1 1 1   14    2    5 f  477.615   4.0664 14490.01  246.639 14542.54  349.865 14438.12  347.746  478.475   5.7579  476.755   5.7437 1.720490 8.132829 
1 1 1   14    2    6 o  104.288   2.7833  697.269   35.916  901.642   51.784  507.825   49.857  119.155   3.4222   89.420   4.3905 29.73545 5.566692 
1 1 1   14    2    7 o  326.360   3.1044  6763.08  128.647  6861.24  183.599  6668.42  180.314  328.685   4.3986  324.034   4.3819 4.651154 6.208737 
1 1 1   14    2    8 o  815.763   6.5080 42250.13  673.676 41241.32  930.665 43360.58  976.424  805.553   9.0975  825.973   9.3088 -20.42035 13.01609 
1 1 1   14    2    9 o  819.198   6.5316 42650.90  679.490 42620.29  960.312 42681.59  961.579  818.904   9.2342  819.492   9.2398 -0.5881348 13.06312 
1 1 1   14    2   10 o  880.227   6.9896 49242.29  781.265 49571.60  1112.34 48921.67  1097.56  883.128   9.9183  877.326   9.8512 5.802490 13.97922 
1 1 1   14    2   11 o  1143.25   11.011 82910.72  1499.73 83951.12  2630.68 82409.77  1825.43  1148.11   18.043  1138.40   12.627 9.712280 22.02230 
1 1 1   14    2   12 o  1136.65   10.938 82237.48  1489.31 82296.77  1825.57 82119.49  2575.23  1137.66   12.636  1135.63   17.857 2.023193 21.87529 
1 1 1   14    2   13 f  788.009   6.3347 39456.68  633.917 39481.99  896.795 39431.40  896.192  788.261   8.9587  787.756   8.9584 0.5052490 12.66932 
1 1 1   14    2   14 o  1254.49   12.069 99812.05  1802.62 99084.32  2192.17 101331.60  3167.74  1248.05   13.831  1260.93   19.783 -12.87500 24.13823 
1 1 1   14    2   15 o  688.810   5.6080 30142.28  490.498 30405.60  699.827 29888.02  687.670  691.764   7.9663  685.855   7.8953 5.908997 11.21595 
1 1 1   14    2   16 o  633.248   5.2090 25469.66  418.766 25900.50  601.442 25064.25  583.419  638.441   7.4181  628.056   7.3148 10.38489 10.41805 
1 1 1   14    2   17 o  503.834   4.3238 16125.94  276.568 16389.83  396.943 15876.98  385.559  507.835   6.1550  499.832   6.0742 8.002716 8.647524 
1 1 1   14    2   18 o  156.760   4.5059  1561.54   89.701   0.0000   0.0000  1561.54   89.701  ?   ?   156.760   4.5059      ?      ? 
1 1 1   14    2   19 o  233.060   3.0317  3450.37   89.698  3508.60  128.946  3395.78  124.856  234.963   4.3215  231.158   4.2533 3.805298 6.063448 
1 1 1   14    2   20 o  172.328   3.2085  1887.73   70.196  1889.65  100.497  1885.90   98.092  172.412   4.5900  172.245   4.4844 0.1668396 6.417017 
1 1 1   14    2   21 o  176.179   3.1974  1972.18   71.425  1994.98  104.235  1951.99   98.066  177.133   4.6338  175.225   4.4070 1.907516 6.394842 
1 1 1   14    2   22 o  343.282   3.4346  7484.70  149.604  7761.29  217.079  7234.50  206.463  349.309   4.8936  337.255   4.8207 12.05411 6.869240 
1 1 1   14    2   23 o  522.574   4.5048 17394.74  298.882 17092.90  417.305 17712.65  428.273  517.929   6.3446  527.219   6.3966 -9.290588 9.009517 
1 1 1   14    2   24 o  270.750   3.3231  4665.22  114.257  4630.27  161.176  4700.52  161.994  269.730   4.7054  271.770   4.6938 -2.040131 6.646207 
1 1 1   14    2   25 o  142.295   4.8769  1289.53   88.001  1231.06  120.582  1356.15  128.720  138.859   6.8380  145.730   6.9554 -6.870316 9.753751 
1 1 1   14    2   26 o  196.733   3.6936  2465.53   92.244  2428.65  128.345  2504.93  132.667  195.219   5.1770  198.248   5.2696 -3.028915 7.387188 
1 1 1   14    2   27 o   44.624   10.251  118.819   70.474   52.742   98.565  187.931  100.804   36.575   14.417   52.673   14.576 -16.09837 20.50130 
1 1 1   14    2   28 o  206.430   3.6344  2721.57   95.244  2752.25  133.448  2689.72  135.977  207.633   5.0610  205.226   5.2174 2.407166 7.268776 
1 1 1   14    2   29 o   92.563   6.3293  552.122   74.091  503.946   99.527  612.007  110.965   88.083   8.8976   97.042   9.0042 -8.959267 12.65869 
1 1 1   14    2   30 o   43.388   11.433  112.031   83.822  109.788  111.209  114.982  127.548   42.557   15.655   44.218   16.668 -1.661041 22.86650 
1 1 1   14    2   31 o   48.459   10.309  154.477   75.143   59.121  101.380  270.735  111.940   36.105   14.492   60.812   14.665 -24.70704 20.61801 
1 1 1   14    2   32 o   57.828   13.974  257.018  119.429  377.831  202.877  192.949  147.741   65.516   21.293   50.140   18.104 15.37593 27.94898 
1 1 1   14    4    0 o  796.826   6.3788 40342.60  645.282 39780.06  899.390 40939.36  926.341  791.110   8.9523  802.542   9.0892 -11.43207 12.75761 
1 1 1   14    4    1 o  308.504   3.0969  6025.42  121.129  6485.70  176.910  5619.20  166.196  319.560   4.3593  297.448   4.3998 22.11261 6.193716 
1 1 1   14    4    2 o  377.311   3.4546  9036.24  165.476  9309.58  237.576  8778.69  230.616  382.849   4.8865  371.773   4.8847 11.07635 6.909240 
1 1 1   14    4    3 o  661.550   7.6092 27808.34  639.264 27808.34  639.264   0.0000   0.0000  661.550   7.6092  ?   ?       ?      ? 
1 1 1   14    4    4 o  290.977   2.9408  5372.68  108.599  5259.01  150.381  5496.57  156.996  287.763   4.1151  294.190   4.2023 -6.426575 5.881594 
1 1 1   14    4    5 o  590.445   4.8665 22146.84  364.877 22011.21  512.839 22285.88  519.250  588.616   6.8608  592.275   6.9036 -3.659241 9.732905 
1 1 1   14    4    6 o  715.483   7.0493 32646.52  607.021 32207.05  1036.64 32875.85  748.830  711.679   11.470  719.287   8.1979 -7.608459 14.09856 
1 1 1   14    4    7 o  686.479   6.8927 29066.94  545.746 27912.39  642.183 32068.56  1035.46  662.805   7.6295  710.153   11.482 -47.34741 13.78536 
1 1 1   14    4    8 f  761.068   6.1112 36802.82  590.582 37156.05  842.572 36461.67  828.036  764.655   8.6769  757.481   8.6079 7.173950 12.22232 
1 1 1   14    4    9 o  425.538   3.7476 11483.87  202.324 11121.94  278.701 11887.14  294.185  418.461   5.2445  432.615   5.3548 -14.15341 7.495241 
1 1 1   14    4   10 o  889.237   7.0671 50254.32  798.041 50055.10  1124.33 50456.59  1132.91  887.463   9.9763  891.012   10.012 -3.549011 14.13411 
1 1 1   14    4   11 o  251.575   4.1678  4019.29  133.154  4019.29  133.154   0.0000   0.0000  251.575   4.1678  ?   ?       ?      ? 
1 1 1   14    4   12 o  716.658   5.8151 32614.95  529.045 32045.19  736.427 33222.60  760.521  710.197   8.1653  723.120   8.2818 -12.92316 11.63014 
1 1 1   14    4   13 o  546.876   4.6209 18984.67  320.779 18570.71  445.678 19429.63  462.065  540.696   6.4907  553.055   6.5789 -12.35956 9.241833 
1 1 1   14    4   14 o  110.603   3.6641  777.077   51.455  793.998   72.712  760.104   72.826  111.809   5.1209  109.396   5.2421 2.413155 7.328275 
1 1 1   14    4   15 o  636.412   5.2417 25722.17  423.483 26177.39  608.735 25295.24  589.518  641.862   7.4681  630.961   7.3573 10.90137 10.48339 
1 1 1   14    4   16 o  381.229   4.3053  9164.95  196.941  9025.41  240.853  9446.48  342.105  376.926   5.0317  385.533   6.9875 -8.606873 8.610656 
1 1 1   14    4   17 o  304.043   3.1748  5874.14  122.567  5835.09  174.441  5912.23  172.253  303.043   4.5328  305.043   4.4466 -2.000488 6.349684 
1 1 1   14    4   18 o  161.072   3.0238  1648.71   61.828  1648.20   86.240  1649.25   88.687  161.049   4.2167  161.096   4.3351 -0.4765320E-01 6.047609 
1 1 1   14    4   19 o  357.659   3.4621  8129.61  157.217  7907.00  220.186  8361.14  224.556  352.664   4.9164  362.653   4.8759 -9.989807 6.924288 
1 1 1   14    4   20 o   91.304   4.3125  529.387   49.911  485.975   69.012  576.994   72.270   87.384   6.2189   95.225   5.9762 -7.840584 8.624966 
1 1 1   14    4   21 o  252.367   3.1143  4048.15   99.733  4080.68  144.112  4018.25  138.164  253.334   4.4795  251.400   4.3276 1.933670 6.228518 
1 1 1   14    4   22 o  153.899   3.2631  1506.53   63.762  1544.60   90.387  1468.81   89.961  155.837   4.5673  151.960   4.6617 3.876724 6.526198 
1 1 1   14    4   23 o  386.990   3.6967  9534.38  181.668  9505.10  257.619  9563.34  256.220  386.394   5.2501  387.585   5.2056 -1.190521 7.393371 
1 1 1   14    4   24 o  132.992   4.1909  1127.18   70.672  1122.94   97.209  1131.93  102.926  132.741   5.7667  133.244   6.0827 -0.5028076 8.381768 
1 1 1   14    4   26 o  126.737   4.4564  1025.42   71.689  1015.25   99.624  1036.34  103.239  126.094   6.2214  127.379   6.3822 -1.284531 8.912846 
1 1 1   14    4   27 o  217.047   4.5240  3039.97  114.184  3080.62  136.919  2947.15  206.915  219.782   4.9056  214.312   7.6027 5.470413 9.047997 
1 1 1   14    4   28 o  119.694   7.6206  909.394   95.757  981.828  207.481  889.790  107.940  121.745   13.420  117.643   7.2250 4.102119 15.24125 
1 1 1   14    4   29 o   26.622   8.6502 -63.9586   66.708 -86.5036   90.059 -36.5526   99.294   24.345   11.436   28.898   12.982 -4.553589 17.30043 
1 1 1   14    4   30 o  295.894   5.9592  5506.00  218.117  6781.19  362.132  4780.00  273.240  321.203   8.8779  270.585   7.9518 50.61829 11.91835 
1 1 1   14    4   31 o   31.649   10.701 -169.3389  121.275 -245.5375  190.756 -117.6469  157.115   31.401   15.244   31.896   15.021 -0.4941807 21.40144 
1 1 1   14    4   32 o   58.297   13.452  297.884  118.850  206.481  201.650  346.536  147.118   51.345   20.499   65.249   17.426 -13.90365 26.90497 
1 1 1   14    6    0 o  786.466   7.7632 39414.51  734.529 39055.71  1256.79 39600.65  905.227  783.568   12.630  789.363   9.0303 -5.795288 15.52632 
1 1 1   14    6    1 f  133.743   3.3804  1120.52   56.859  926.023   76.014  1367.55   85.669  120.747   4.9573  146.739   4.5973 -25.99213 6.760854 
1 1 1   14    6    2 o  635.735   6.4618 25779.33  490.664 25962.39  600.626 25412.08  850.740  639.242   7.3988  632.227   10.596 7.014832 12.92360 
1 1 1   14    6    3 o  1144.64   8.9880 83335.23  1306.43 83948.70  1859.72 82737.53  1835.66  1148.79   12.748  1140.49   12.674 8.305420 17.97607 
1 1 1   14    6    4 o  1073.18   8.4533 73236.12  1151.95 72688.01  1616.00 73802.37  1642.53  1069.10   11.903  1077.25   12.007 -8.149292 16.90652 
1 1 1   14    6    5 o  436.037   3.8699 12075.30  214.245 12025.52  299.750 12127.29  306.333  435.120   5.4247  436.954   5.5205 -1.834778 7.739722 
1 1 1   14    6    6 o  1129.44   8.8780 81012.38  1271.89 78804.57  1748.64 83492.56  1853.37  1113.15   12.370  1145.72   12.738 -32.57617 17.75603 
1 1 1   14    6    7 o  617.091   7.1882 24191.93  563.306 24191.93  563.306   0.0000   0.0000  617.091   7.1882  ?   ?       ?      ? 
1 1 1   14    6    8 o  892.592   7.1064 50613.36  805.237 49829.67  1120.88 51449.20  1157.56  885.462   9.9681  899.722   10.131 -14.26044 14.21275 
1 1 1   14    6    9 o  249.520   3.0071  3962.37   95.080  4156.17  132.502  3756.65  136.515  255.824   4.0785  243.215   4.4199 12.60944 6.014129 
1 1 1   14    6   10 o  751.392   6.0845 35872.99  580.584 36025.77  823.464 35721.97  818.697  752.983   8.6116  749.802   8.5980 3.180908 12.16903 
1 1 1   14    6   11 o  909.739   7.2666 52588.29  839.325 51944.69  1172.40 53264.93  1202.13  904.036   10.212  915.441   10.340 -11.40540 14.53313 
1 1 1   14    6   12 o  658.105   5.4198 27506.17  452.829 27124.26  631.505 27910.36  649.674  653.407   7.6105  662.803   7.7185 -9.395447 10.83955 
1 1 1   14    6   13 o  185.983   2.8969  2199.51   68.328  2270.60   95.219  2124.04   98.105  189.086   3.9654  182.880   4.2242 6.206146 5.793825 
1 1 1   14    6   14 o  294.130   3.1407  5493.32  117.298  5380.57  164.517  5609.90  167.285  291.060   4.4509  297.199   4.4323 -6.138489 6.281438 
1 1 1   14    6   15 o  194.918   2.8869  2413.01   71.457  2379.02  100.512  2447.75  101.606  193.530   4.0897  196.305   4.0758 -2.775558 5.773888 
1 1 1   14    6   16 o  301.339   3.1167  5769.52  119.267  5799.16  169.143  5740.22  168.198  302.108   4.4087  300.569   4.4066 1.538879 6.233354 
1 1 1   14    6   17 o  237.055   2.9275  3542.90   87.767  3901.06  131.538  3255.48  117.832  247.767   4.1805  226.343   4.0994 21.42436 5.855069 
1 1 1   14    6   18 o  459.279   4.0800 13408.92  237.871 13684.20  342.393 13152.10  330.712  463.826   5.8129  454.731   5.7269 9.095490 8.160070 
1 1 1   14    6   19 f  179.724   2.8704  2049.54   65.457  1955.59   90.479  2152.72   94.815  175.409   4.0618  184.038   4.0569 -8.629120 5.740751 
1 1 1   14    6   20 o  473.655   4.1645 14278.71  250.496 14197.76  353.510 14360.35  355.006  472.306   5.8939  475.004   5.8852 -2.698242 8.329058 
1 1 1   14    6   21 o  161.390   3.0530  1655.00   62.488  1777.78   89.675  1539.11   87.124  167.209   4.2231  155.571   4.4100 11.63826 6.105927 
1 1 1   14    6   22 o  318.295   3.3334  6446.06  134.694  6455.26  193.069  6437.33  188.003  318.508   4.7732  318.082   4.6542 0.4258423 6.666762 
1 1 1   14    6   23 o  405.964   4.9031 10566.34  231.878 10399.90  420.689 10638.97  277.904  403.232   8.2154  408.696   5.3545 -5.464691 9.806282 
1 1 1   14    6   24 o  464.034   5.1616 13239.79  246.331 14667.22  554.593 12888.98  274.940  478.167   9.1331  449.901   4.8122 28.26639 10.32329 
1 1 1   14    6   25 o   42.162   11.651   53.412   63.906  151.930  181.792   39.521   68.263   53.317   19.938   31.008   12.063 22.30836 23.30301 
1 1 1   14    6   26 o  146.904   5.6963  1496.42   81.834  1211.49  181.141  1569.48   91.728  136.871   10.421  156.936   4.6026 -20.06506 11.39251 
1 1 1   14    6   27 o  186.025   4.8018  2115.92   91.161  2397.63  208.319  2049.19  101.384  192.795   8.5086  179.256   4.4537 13.53838 9.603700 
1 1 1   14    6   28 o   65.887   14.040  303.633  124.599  378.395  202.413  258.021  158.103   71.536   20.942   60.238   18.705 11.29786 28.07964 
1 1 1   14    6   29 o   34.378   11.551 -176.4935  134.217 -232.8940  217.427 -141.7704  170.601   35.436   16.966   33.321   15.680 2.114925 23.10229 
1 1 1   14    6   30 o  107.347   9.0312  786.794  122.160  935.135  182.949  667.439  164.104  116.656   12.349   98.037   13.181 18.61877 18.06233 
1 1 1   14    6   31 o  110.046   9.8749  895.708  129.800  790.518  213.589  957.305  163.444  102.189   16.459  117.903   10.916 -15.71439 19.74972 
1 1 1   14    8    0 o  853.351   7.7928 47134.00  752.140 48186.16  887.138 44444.33  1418.41  870.847   8.0218  835.855   13.363 34.99194 15.58554 
1 1 1   14    8    1 o  169.032   3.5490  1824.95   71.021  1843.42   86.292  1786.16  125.039  170.374   3.9883  167.691   5.8716 2.683090 7.098064 
1 1 1   14    8    2 o  410.233   4.3076 10447.68  190.493 10239.92  216.863 11149.51  398.587  401.546   4.2528  418.920   7.4923 -17.37411 8.615138 
1 1 1   14    8    3 o  1128.29   10.202 81659.36  1282.15 82390.16  1493.95 79616.17  2497.99  1138.51   10.333  1118.08   17.593 20.43542 20.40304 
1 1 1   14    8    4 o  267.879   3.7188  4533.26  116.616  4495.37  139.718  4620.29  211.734  266.057   4.1352  269.701   6.1820 -3.644623 7.437554 
1 1 1   14    8    5 o   75.525   5.8919  336.855   46.395  319.439   51.756  408.112  104.688   70.918   5.7468   80.133   10.287 -9.214890 11.78376 
1 1 1   14    8    6 o  170.580   3.9145  1950.94   67.882  2026.66   76.713  1677.70  145.725  178.646   3.3814  162.513   7.0610 16.13335 7.828902 
1 1 1   14    8    7 o  1544.71   14.779 151963.91  2730.24 151653.09  3339.17 152590.70  4742.21  1543.37   17.037  1546.04   24.154 -2.674438 29.55761 
1 1 1   14    8    8 o  773.904   7.2324 38087.41  615.005 38109.16  709.966 38022.02  1230.95  774.531   7.2181  773.278   12.535 1.252380 14.46471 
1 1 1   14    8    9 o  335.968   4.0554  7405.56  147.156  7633.38  169.851  6719.83  294.674  346.700   3.8578  325.237   7.1345 21.46317 8.110723 
1 1 1   14    8   10 o  750.445   7.0633 35437.45  575.121 35113.23  658.346 36482.09  1181.74  743.459   6.9730  757.430   12.286 -13.97040 14.12668 
1 1 1   14    8   11 o  981.776   9.0103 61482.33  982.266 61666.30  1140.83 60955.08  1931.36  985.042   9.1199  978.509   15.542 6.533569 18.02058 
1 1 1   14    8   12 o  577.967   5.6893 21110.70  362.568 20991.96  418.641 21467.02  725.225  574.855   5.7346  581.080   9.8279 -6.224304 11.37862 
1 1 1   14    8   13 o  196.693   4.8756  2461.08  121.407  2428.98  178.258  2488.86  165.808  195.487   7.1805  197.898   6.5976 -2.410538 9.751282 
1 1 1   14    8   14 o  407.279   5.4251 10545.30  280.497 10312.74  390.401 10793.44  403.277  402.645   7.6350  411.914   7.7094 -9.269867 10.85027 
1 1 1   14    8   15 o  252.110   4.8636  4048.49  155.538  3892.88  222.207  4197.97  217.787  247.340   7.0743  256.880   6.6761 -9.539520 9.727125 
1 1 1   14    8   16 o  124.536   6.8329  993.817  106.477  961.574  163.852  1017.39  140.086  122.727   10.513  126.345   8.7309 -3.617393 13.66586 
1 1 1   14    8   17 o  486.883   6.1243 15110.83  378.622 14889.16  530.314 15341.31  540.743  483.246   8.6415  490.519   8.6807 -7.273529 12.24869 
1 1 1   14    8   18 o  328.723   5.0752  6882.95  211.787  6631.24  297.749  7140.70  301.306  322.628   7.2673  334.819   7.0863 -12.19141 10.15031 
1 1 1   14    8   19 o  239.469   4.9691  3656.04  150.132  3636.42  225.201  3671.74  201.420  238.841   7.4248  240.096   6.6060 -1.255203 9.938148 
1 1 1   14    8   20 o  288.917   5.0301  5321.66  184.544  5397.92  262.758  5247.42  259.247  290.960   7.1112  286.874   7.1161 4.085571 10.06028 
1 1 1   14    8   21 o  244.677   4.9107  3829.61  151.861  3699.19  223.753  3940.99  206.779  240.741   7.3188  248.613   6.5494 -7.872223 9.821420 
1 1 1   14    8   22 o  249.804   5.0380  3975.11  159.551  4142.61  234.054  3829.70  218.072  254.686   7.2366  244.921   7.0112 9.764038 10.07599 
1 1 1   14    8   23 o  482.866   6.3495 14942.37  388.937 15236.12  565.333 14678.39  535.924  487.282   9.1358  478.450   8.8204 8.831909 12.69892 
1 1 1   14    8   24 o   52.192   13.145  144.747  114.727  243.105  165.898   54.590  158.831   60.513   19.214   43.872   17.945 16.64178 26.29045 
1 1 1   14    8   25 o  163.649   6.6184  1728.88  137.040  1691.88  201.363  1760.80  187.035  161.900   9.7939  165.398   8.9046 -3.498398 13.23678 
1 1 1   14    8   26 o  244.990   5.8439  3853.59  180.404  3985.62  274.585  3753.32  239.298  248.470   8.7021  241.510   7.8024 6.960052 11.68777 
1 1 1   14    8   27 o   94.887   11.874  674.354  128.828  483.447  212.962  784.534  161.787   80.805   20.670  108.968   11.691 -28.16360 23.74741 
1 1 1   14    8   28 o   43.294   13.576  -2.0277  143.568 -10.3393  239.531   2.6323  179.355   45.651   20.359   40.937   17.964 4.714417 27.15115 
1 1 1   14    8   29 o   48.154   13.182  145.063  116.055  181.995  160.130  104.199  168.438   50.968   18.779   45.339   18.505 5.628952 26.36452 
1 1 1   14    8   30 o   59.717   13.949  304.847  125.742  224.845  214.841  346.531  155.077   53.875   21.269   65.558   18.054 -11.68307 27.89808 
1 1 1   14   10    0 o  745.888   7.5268 34665.06  660.535 33568.34  790.428 37203.98  1202.65  726.852   8.5633  764.924   12.381 -38.07135 15.05352 
1 1 1   14   10    1 o  511.631   5.5776 15898.45  332.220 14898.26  391.785 18458.16  626.765  484.301   6.3702  538.961   9.1573 -54.66016 11.15513 
1 1 1   14   10    2 o  484.056   4.9688 14993.78  269.904 15120.23  315.708 14650.35  520.281  487.927   5.0951  480.186   8.5320 7.741730 9.937555 
1 1 1   14   10    3 o  782.815   7.7827 38440.14  716.383 37623.84  858.822 40307.27  1298.87  769.491   8.7886  796.139   12.847 -26.64752 15.56544 
1 1 1   14   10    4 o  818.070   7.6330 42302.91  682.620 42075.03  784.903 43010.32  1382.93  813.802   7.5948  822.337   13.243 -8.534241 15.26592 
1 1 1   14   10    5 o  697.107   6.6263 30549.61  501.349 30247.20  573.875 31524.32  1030.29  690.049   6.5488  704.165   11.521 -14.11572 13.25255 
1 1 1   14   10    6 o  473.649   4.8693 14279.71  253.981 14308.17  293.622 14195.13  506.159  474.644   4.8713  472.655   8.4327 1.988556 9.738539 
1 1 1   14   10    7 o  762.992   7.1886 36322.11  588.327 35747.48  668.961 38284.04  1236.07  750.131   7.0224  775.852   12.545 -25.72101 14.37719 
1 1 1   14   10    8 o  607.202   5.8679 23245.66  387.447 23076.45  444.169 23784.17  792.364  602.737   5.8029  611.667   10.201 -8.929504 11.73578 
1 1 1   14   10    9 o  173.555   4.1830  2053.75   69.797  2137.00   77.624  1702.25  159.497  183.441   3.3322  163.669   7.6738 19.77217 8.366028 
1 1 1   14   10   10 o  643.969   6.1681 26323.28  435.111 26279.24  501.275 26457.87  876.274  643.106   6.1378  644.833   10.701 -1.726990 12.33611 
1 1 1   14   10   11 o  321.967   3.9133  6573.36  133.736  6561.66  151.903  6613.67  282.008  321.404   3.7217  322.529   6.8852 -1.124969 7.826638 
1 1 1   14   10   12 o  638.180   7.5284 25963.14  610.015 26294.04  873.139 25647.62  852.612  642.136   10.707  634.224   10.586 7.911926 15.05685 
1 1 1   14   10   13 o  214.384   4.9953  2932.80  134.917  2859.41  202.653  2991.23  180.812  211.936   7.5296  216.833   6.5664 -4.897141 9.990581 
1 1 1   14   10   14 o  227.581   4.9014  3296.64  141.654  3305.68  200.124  3287.57  200.534  227.895   6.9149  227.267   6.9482 0.6279297 9.802761 
1 1 1   14   10   15 o  275.766   4.9571  4843.55  172.803  4250.11  240.938  5472.16  247.974  258.329   7.3444  293.203   6.6598 -34.87405 9.914274 
1 1 1   14   10   16 o  273.746   4.9309  4771.26  171.279  4809.25  247.637  4736.42  237.152  274.775   7.0968  272.716   6.8476 2.058960 9.861736 
1 1 1   14   10   17 o  367.779   5.3310  8623.62  248.817  8213.23  350.061  9042.66  353.729  358.907   7.6804  376.651   7.3953 -17.74362 10.66203 
1 1 1   14   10   18 o  165.457   6.0353  1750.77  124.950  1734.54  193.525  1762.37  163.627  164.714   9.2519  166.199   7.7526 -1.485062 12.07061 
1 1 1   14   10   19 o  137.692   6.3930  1214.20  111.654  1181.51  160.456  1244.89  155.468  135.863   9.2999  139.521   8.7745 -3.657898 12.78591 
1 1 1   14   10   20 o  354.586   5.2951  8028.63  238.344  8119.32  342.594  7943.56  331.805  356.504   7.5672  352.668   7.4086 3.835266 10.59014 
1 1 1   14   10   21 o  237.921   5.9680  3609.85  179.562  3776.79  268.749  3475.22  241.336  242.805   8.7159  233.038   8.1549 9.766830 11.93606 
1 1 1   14   10   22 o  163.293   6.0258  1705.54  124.496  1753.57  185.212  1665.95  168.151  165.329   8.8215  161.257   8.2111 4.072678 12.05163 
1 1 1   14   10   23 o  373.256   5.5417  8902.99  261.913  9261.86  388.314  8603.47  354.758  380.043   8.0459  366.470   7.6228 13.57275 11.08349 
1 1 1   14   10   24 o  157.734   7.0316  1617.48  140.053  1506.75  204.495  1715.29  192.204  152.438   10.564  163.031   9.2836 -10.59267 14.06321 
1 1 1   14   10   25 o   58.627   13.838  234.681  121.883  184.521  190.177  269.645  158.777   55.295   20.448   61.959   18.651 -6.663933 27.67675 
1 1 1   14   10   26 o  130.669   8.3598  1139.51  137.689  1069.74  203.255  1198.69  187.182  126.541   12.648  134.797   10.935 -8.255966 16.71962 
1 1 1   14   10   27 o  232.707   7.1232  3557.56  203.473  3713.21  336.098  3467.50  255.644  235.497   11.238  229.918   8.7556 5.579147 14.24645 
1 1 1   14   10   28 o   51.565   13.191  182.749  123.046   21.870  193.217  292.505  159.592   42.058   18.544   61.072   18.765 -19.01439 26.38203 
1 1 1   14   12    0 o  115.869   5.6213  848.905   74.344  843.590   87.534  862.665  140.834  115.240   5.9814  116.498   9.5194 -1.258553 11.24261 
1 1 1   14   12    1 o  625.312   6.3793 24665.67  472.758 24340.48  571.651 25369.34  840.915  618.947   7.2728  631.678   10.483 -12.73083 12.75864 
1 1 1   14   12    2 o  248.553   4.0110  3982.58  113.984  4061.32  135.250  3789.55  211.756  252.878   4.2116  244.227   6.8275 8.651840 8.022036 
1 1 1   14   12    3 o  827.078   7.6219 44287.79  713.638 45279.64  842.216 41762.77  1343.80  844.101   7.8569  810.055   13.063 34.04620 15.24375 
1 1 1   14   12    4 o  143.117   4.6493  1212.51   75.325  1117.12   86.933  1499.89  150.887  132.613   5.1620  153.622   7.7343 -21.00908 9.298684 
1 1 1   14   12    5 o  321.574   4.0015  6547.86  143.345  6524.00  166.485  6616.21  281.846  320.491   4.0906  322.656   6.8785 -2.165405 8.002900 
1 1 1   14   12    6 o  189.701   4.0534  2406.40   84.991  2547.11  100.001  2040.37  161.288  200.249   3.9324  179.152   7.0893 21.09685 8.106886 
1 1 1   14   12    7 o  500.698   5.0333 16079.34  280.461 16229.91  326.651 15657.00  547.077  505.380   5.0897  496.017   8.6851 9.362732 10.06655 
1 1 1   14   12    8 o  628.775   6.0859 24645.45  410.185 24204.54  466.084 26159.91  863.821  617.010   5.9483  640.539   10.619 -23.52893 12.17187 
1 1 1   14   12    9 o   92.992   6.1062  530.308   54.013  520.277   58.986  582.392  134.406   90.468   5.1343   95.516   11.081 -5.048027 12.21238 
1 1 1   14   12   10 o  235.195   3.6991  3551.50   91.063  3578.45  103.108  3455.97  194.149  237.330   3.4211  233.060   6.5598 4.270157 7.398277 
1 1 1   14   12   11 o  104.602   5.7078  727.798   48.831  737.768   52.175  657.420  138.627  107.752   3.8129  101.451   10.760 6.300102 11.41562 
1 1 1   14   12   12 o  132.612   4.4271  1092.35   47.270  1084.68   50.119  1154.08  142.222  130.667   3.0204  134.557   8.3231 -3.889496 8.854171 
1 1 1   14   12   13 o  151.324   5.9652  1492.41  110.243  1333.38  177.094  1593.02  140.865  144.496   9.6509  158.153   7.0137 -13.65718 11.93032 
1 1 1   14   12   14 o  190.619   5.1663  2324.54  124.503  2193.71  181.581  2440.62  171.040  185.499   7.7082  195.740   6.8808 -10.24103 10.33255 
1 1 1   14   12   15 o  180.068   5.6337  2059.91  127.610  2130.76  195.730  2007.54  168.296  182.697   8.4362  177.438   7.4688 5.258789 11.26733 
1 1 1   14   12   16 o  269.341   4.8734  4629.90  166.426  4522.00  240.559  4728.95  230.487  266.293   7.1135  272.389   6.6631 -6.096771 9.746785 
1 1 1   14   12   17 o  540.612   6.7195 18716.52  461.270 18410.83  647.036 19032.43  657.763  536.125   9.5035  545.101   9.5020 -8.976074 13.43895 
1 1 1   14   12   18 o  329.768   5.3381  6958.13  223.177  6713.12  321.315  7186.52  310.217  324.081   7.8073  335.456   7.2820 -11.37595 10.67621 
1 1 1   14   12   19 o  244.641   6.1229  3898.51  186.475  3426.24  282.352  4263.87  248.341  231.024   9.6240  258.258   7.5721 -27.23344 12.24577 
1 1 1   14   12   20 o  266.694   5.3260  4551.36  180.243  4521.31  259.535  4579.35  250.509  265.801   7.6889  267.586   7.3720 -1.784882 10.65196 
1 1 1   14   12   21 o  207.563   5.7217  2761.62  150.782  2678.92  211.226  2847.54  215.308  204.384   8.1381  210.742   8.0451 -6.357925 11.44345 
1 1 1   14   12   22 o   50.429   13.821  122.466  126.539  141.897  180.557  103.710  177.392   51.991   19.775   48.867   19.316 3.123562 27.64286 
1 1 1   14   12   23 o  142.259   7.8613  1345.04  138.890  1175.73  211.000  1474.48  184.497  133.729   12.425  150.789   9.6348 -17.06036 15.72254 
1 1 1   14   12   24 o   73.185   13.349  385.783  123.970  422.180  189.464  358.534  163.934   75.929   19.536   70.440   18.197 5.488686 26.69822 
1 1 1   14   12   25 o   46.021   13.721   57.656  141.359 -48.6240  216.292  136.901  186.767   42.065   19.003   49.978   19.799 -7.913502 27.44289 
1 1 1   14   14    0 o  440.312   3.9858 12327.06  222.862 12363.72  316.755 12291.13  313.618  440.959   5.6565  439.666   5.6169 1.292175 7.971584 
1 1 1   14   14    1 o  180.230   4.4911  2058.83   94.519  2047.48  113.113  2085.09  172.070  179.473   4.9629  180.987   7.4865 -1.514374 8.982118 
1 1 1   14   14    2 o  350.325   4.2024  7874.00  169.156  7969.08  200.979  7643.05  313.249  354.105   4.4693  346.544   7.1179 7.561188 8.404728 
1 1 1   14   14    3 o  248.309   3.9032  3865.16  111.020  3794.47  130.650  4048.82  210.589  244.355   4.2103  252.262   6.5736 -7.906799 7.806353 
1 1 1   14   14    4 o   61.897   9.3065  275.325   66.346  313.150   79.198  186.315  121.491   70.093   8.8974   53.701   16.349 16.39145 18.61292 
1 1 1   14   14    5 o  162.673   4.3908  1702.10   80.660  1724.78   94.823  1642.73  153.416  164.729   4.5328  160.617   7.5214 4.111389 8.781696 
1 1 1   14   14    6 f  269.890   3.9328  4635.96  120.152  4639.98  140.999  4625.30  229.603  270.204   4.1091  269.577   6.7068 0.6268311 7.865507 
1 1 1   14   14    7 o  202.885   3.9827  2687.95   91.014  2775.07  107.390  2465.85  171.472  208.962   4.0469  196.809   6.8608 12.15274 7.965369 
1 1 1   14   14    8 o  176.003   4.0126  1957.05   78.917  1942.21   91.731  1999.31  154.809  174.806   4.1322  177.199   6.8795 -2.393585 8.025112 
1 1 1   14   14    9 o  336.530   4.0572  7232.23  149.992  7258.48  173.280  7153.79  299.552  337.929   4.0378  335.132   7.0385 2.796936 8.114435 
1 1 1   14   14   10 o  190.020   4.1059  2303.89   81.780  2308.52   92.522  2287.32  174.859  190.581   3.8229  189.459   7.2677 1.121490 8.211762 
1 1 1   14   14   11 o  501.568   5.0746 16164.22  281.083 16300.93  326.025 15768.35  554.787  506.203   5.0716  496.932   8.7913 9.271027 10.14928 
1 1 1   14   14   12 o  425.702   4.5670 11347.84  207.533 11184.99  235.600 11911.78  438.429  419.377   4.4238  432.026   7.9912 -12.64877 9.133945 
1 1 1   14   14   13 o  116.186   7.5956  875.484  108.649  824.539  173.828  908.147  139.187  113.225   12.089  119.148   9.1989 -5.922363 15.19111 
1 1 1   14   14   14 o  322.255   5.0771  6631.36  207.624  6357.13  294.204  6903.44  293.047  315.577   7.3412  328.933   7.0154 -13.35577 10.15424 
1 1 1   14   14   15 o  136.471   7.1190  1203.29  122.520  1104.04  179.102  1290.58  167.972  131.042   10.763  141.900   9.3213 -10.85875 14.23793 
1 1 1   14   14   16 o  158.715   8.0869  1656.11  157.726  1480.23  249.230  1773.61  203.708  151.202   12.980  166.229   9.6499 -15.02679 16.17389 
1 1 1   14   14   17 o   99.144   10.988  633.948  132.468  846.475  205.455  482.741  173.298  113.979   14.194   84.310   16.776 29.66918 21.97541 
1 1 1   14   14   18 o  254.273   5.4091  4147.28  174.278  3982.61  251.702  4298.93  241.545  249.332   7.9493  259.214   7.3377 -9.882523 10.81825 
1 1 1   14   14   19 o   38.096   11.858 -57.1115  117.173 -190.3490  178.137   44.495  155.562   33.541   15.856   42.651   17.636 -9.109657 23.71613 
1 1 1   14   14   20 o   49.789   13.499  125.587  120.707   65.134  190.582  166.083  155.982   47.313   19.539   52.264   18.632 -4.951534 26.99842 
1 1 1   14   14   21 o  352.752   5.6064  8025.79  250.790  7954.07  363.556  8090.90  346.405  351.094   8.1540  354.409   7.6966 -3.315857 11.21276 
1 1 1   14   14   22 o  258.531   7.1556  4311.79  234.930   0.0000   0.0000  4311.79  234.930  ?   ?   258.531   7.1556      ?      ? 
1 1 1   14   16    0 o  296.261   3.3688  5585.33  126.647  5367.30  179.825  5799.90  178.396  290.510   4.8743  302.012   4.6514 -11.50192 6.737512 
1 1 1   14   16    1 f  232.049   3.3233  3428.20   97.755  3346.77  141.590  3502.37  135.128  229.400   4.8603  234.697   4.5338 -5.296387 6.646614 
1 1 1   14   16    2 o  358.143   4.4703  8153.97  191.102  8129.45  233.209  8204.07  333.417  357.491   5.1369  358.795   7.3175 -1.303955 8.940597 
1 1 1   14   16    3 o  275.488   4.0787  4801.03  129.371  4761.56  153.143  4899.40  241.758  273.656   4.4067  277.319   6.8647 -3.663635 8.157426 
1 1 1   14   16    4 o  251.863   4.1242  4058.51  120.723  4089.69  144.437  3986.25  219.891  253.603   4.4848  250.124   6.9227 3.479553 8.248487 
1 1 1   14   16    5 o   73.202   9.3082  384.620   73.800  427.296   87.633  280.532  136.859   81.814   8.4346   64.590   16.596 17.22427 18.61645 
1 1 1   14   16    6 o  314.265   4.1436  6373.27  149.279  6490.73  177.403  6088.37  276.289  319.481   4.3726  309.048   7.0398 10.43237 8.287210 
1 1 1   14   16    7 o  152.601   4.8991  1445.88   88.282  1383.62  105.730  1589.24  160.432  147.419   5.6476  157.782   8.0067 -10.36269 9.798121 
1 1 1   14   16    8 o  167.677   4.8023  1824.83   90.538  1863.78  106.410  1722.68  172.315  171.143   4.8960  164.212   8.2630 6.930176 9.604630 
1 1 1   14   16    9 o  231.885   4.1644  3437.74  107.859  3451.23  125.711  3400.13  209.980  232.935   4.2497  230.835   7.1630 2.099792 8.328812 
1 1 1   14   16   10 o  558.411   5.5718 20041.14  345.026 20164.16  400.883 19689.66  677.622  562.614   5.6109  554.208   9.6280 8.405701 11.14363 
1 1 1   14   16   11 o  299.538   4.4229  5810.88  158.866  6007.16  196.699  5442.62  269.424  307.152   5.0428  291.924   7.2676 15.22772 8.845753 
1 1 1   14   16   12 o  375.179   4.8967  8814.21  213.405  8569.03  253.103  9417.18  396.909  366.729   5.4347  383.630   8.1471 -16.90082 9.793394 
1 1 1   14   16   13 f  175.306   6.2763  2194.64  112.880  2395.91  130.188  1585.08  226.566  193.904   5.2870  156.707   11.385 37.19769 12.55262 
1 1 1   14   16   14 o   67.873   13.595  321.961  124.486  239.396  193.327  380.441  162.706   61.281   20.809   74.465   17.501 -13.18344 27.19075 
1 1 1   14   16   15 o  203.659   6.1327  2689.59  155.649  2510.18  239.945  2819.93  204.516  197.493   9.5672  209.825   7.6753 -12.33197 12.26542 
1 1 1   14   16   16 o   87.973   11.828  530.372  127.088  545.874  175.180  513.148  184.653   89.617   15.979   86.328   17.444 3.289085 23.65569 
1 1 1   14   16   17 o  117.078   9.0730  907.292  132.888  736.235  188.550  1076.12  187.320  105.636   14.055  128.520   11.477 -22.88474 18.14594 
1 1 1   14   16   18 o  115.756   12.451  882.475  183.030   0.0000   0.0000  882.475  183.030  ?   ?   115.756   12.451      ?      ? 
1 1 1   14   18    0 o  165.456   4.0224  1753.70   83.871  1655.36  124.484  1835.44  113.498  161.145   6.0830  169.768   5.2645 -8.623169 8.044747 
1 1 1   14   18    1 o  135.882   4.5345  1177.84   77.795  1175.19  116.366  1179.99  104.607  135.712   6.7520  136.053   6.0545 -0.3415833 9.068953 
1 1 1   14   18    2 o   54.898   9.2984  195.931   64.372  266.992   98.833  143.576   84.833   63.197   12.754   46.600   13.534 16.59764 18.59676 
1 1 1   14   18    3 o  166.427   5.9431  1765.62  125.607  1765.62  125.607   0.0000   0.0000  166.427   5.9431  ?   ?       ?      ? 
1 1 1   14   18    4 o  419.881   4.9571 11187.80  247.468 11061.86  300.321 11454.19  436.781  416.625   5.6763  423.138   8.1284 -6.512634 9.914174 
1 1 1   14   18    5 o  121.576   7.6669  1009.14  104.949  1091.90  125.792  819.622  190.364  130.698   7.5790  112.455   13.330 18.24255 15.33386 
1 1 1   14   18    6 o  360.205   5.1417  7872.84  223.162  7065.67  269.908  9616.89  396.745  332.760   6.3871  387.651   8.0592 -54.89020 10.28333 
1 1 1   14   18    7 o  297.812   4.6500  5841.06  156.457  6073.61  185.379  5265.29  291.699  308.836   4.7267  286.787   8.0094 22.04947 9.300056 
1 1 1   14   18    8 o  205.895   4.9921  2751.24  117.771  2809.18  140.049  2611.31  217.630  209.954   5.2526  201.835   8.4908 8.120056 9.984142 
1 1 1   14   18    9 o  285.354   4.3857  5114.85  138.659  5030.21  160.126  5368.56  277.234  281.070   4.4861  289.637   7.5373 -8.566589 8.771311 
1 1 1   14   18   10 o   56.108   11.607  212.109   78.248  220.078   87.809  181.376  172.437   57.161   12.449   55.055   19.594 2.106117 23.21457 
1 1 1   14   18   11 o  314.220   4.3891  6219.00  149.337  6138.80  170.689  6480.73  308.359  310.463   4.3293  317.977   7.6363 -7.514648 8.778150 
1 1 1   14   18   12 o  149.878   5.8239  1476.37   85.878  1496.23   95.463  1392.09  196.638  153.170   4.9078  146.585   10.563 6.585403 11.64776 
1 1 1   14   18   13 o  209.913   4.4277  2968.74   94.842  3080.73  107.340  2570.10  202.515  219.936   3.8432  199.890   7.9779 20.04692 8.855330 
1 1 1   14   18   14 o   97.972   7.1061  626.706   54.670  627.466   57.931  620.522  165.279   99.157   4.6005   96.787   13.447 2.370674 14.21212 
1 1 1   14   20    0 o  195.978   4.0668  2469.37   99.766  2339.89  152.343  2566.59  132.012  191.348   6.2693  200.608   5.1819 -9.259598 8.133636 
1 1 1   14   20    1 o  148.384   4.7149  1384.42   87.753  1559.92  137.823  1264.77  113.800  156.110   6.9521  140.658   6.3709 15.45236 9.429744 
1 1 1   14   20    2 o  129.192   5.5053  1075.10   89.237  1041.25  135.983  1100.70  118.266  127.287   8.4124  131.096   7.1038 -3.808632 11.01058 
1 1 1   14   20    3 o  233.855   3.8172  3464.67  112.792  3742.59  170.245  3247.23  150.583  242.121   5.5369  225.589   5.2563 16.53160 7.634497 
1 1 1   14   20    4 o   66.139   12.289  285.559  100.635  239.851  123.573  375.568  173.408   59.061   16.055   73.216   18.610 -14.15472 24.57833 
1 1 1   14   20    5 o  125.863   7.1866  1057.44  104.613  1108.29  126.292  946.289  186.733  131.385   7.5693  120.342   12.219 11.04226 14.37325 
1 1 1   14   20    6 o   98.726   9.2333  629.815  115.762  629.815  115.762   0.0000   0.0000   98.726   9.2333  ?   ?       ?      ? 
1 1 1   14   20    7 o  116.346   7.5645  888.372   98.390  896.356  115.049  866.634  189.833  118.035   7.6753  114.657   13.038 3.377716 15.12903 
1 1 1   14   20    8 o  107.715   8.4438  784.372   95.089  802.910  108.329  722.135  198.488  111.649   7.6403  103.781   15.061 7.868690 16.88768 
1 1 1   14   20    9 o  220.928   4.7791  3161.57  120.528  3193.04  142.611  3082.92  225.486  223.477   5.0251  218.380   8.1307 5.097107 9.558259 
1 1 1   14   20   10 o  184.553   5.4075  2127.07  116.242  2021.44  137.585  2390.55  217.288  177.410   6.1068  191.696   8.9257 -14.28645 10.81490 
1 1 1   14   20   11 o   67.413   14.896  321.191  124.124  321.191  124.124   0.0000   0.0000   67.413   14.896  ?   ?       ?      ? 
1 1 1   14   22    0 o   73.519   10.857  367.988   95.987  475.672  157.955  304.941  120.862   81.623   15.810   65.415   14.884 16.20755 21.71365 
1 1 1   14   22    1 o  167.445   5.3940  1817.80  114.300  1861.64  169.664  1781.37  154.665  169.154   7.8982  165.736   7.3485 3.418777 10.78808 
1 1 1   14   22    2 o  120.090   6.9962  951.100  106.074  962.456  159.103  942.014  142.318  120.494   10.398  119.685   9.3636 0.8087463 13.99243 
1 1 1   14   22    3 o   48.989   14.400   16.228  138.281 -89.1655  161.998  299.198  265.444   34.415   15.884   63.563   24.024 -29.14843 28.80037 
1 1 1   14   22    4 o  418.244   9.2474 11523.29  491.165   0.0000   0.0000 11523.29  491.165  ?   ?   418.244   9.2474      ?      ? 
1 1 1   14   22    5 f  154.490   9.1932  1740.53  159.636  1923.00  193.702  1354.20  281.843  170.922   8.9240  138.058   16.076 32.86395 18.38646 
1 1 1   14   22    7 o   39.091   16.589   43.435  143.175   43.435  143.175   0.0000   0.0000   39.091   16.589  ?   ?       ?      ? 
1 1 1   15    1    0 o  453.139   3.9138 13042.94  225.217 13114.62  319.583 12972.22  317.437  454.375   5.5385  451.902   5.5314 2.473267 7.827591 
1 1 1   15    1    1 o  595.461   4.8960 22512.60  370.050 23014.88  533.629 22047.31  513.604  601.852   6.9819  589.071   6.8657 12.78082 9.792044 
1 1 1   15    1    2 o  351.752   3.2558  7849.28  145.330  7622.77  200.905  8097.92  210.486  346.436   4.5666  357.068   4.6419 -10.63229 6.511579 
1 1 1   15    1    3 o  502.916   4.2438 16029.46  270.609 16717.71  396.549 15429.62  370.205  512.993   6.0871  492.840   5.9151 20.15253 8.487659 
1 1 1   15    1    4 o  439.340   3.8115 12238.25  212.411 12715.57  309.555 11813.53  292.002  447.420   5.4481  431.261   5.3317 16.15839 7.622929 
1 1 1   15    1    5 o  605.897   4.9677 23323.19  382.227 23221.58  538.399 23426.43  542.727  604.568   7.0126  607.227   7.0381 -2.659485 9.935360 
1 1 1   15    1    6 o  632.362   5.1616 25404.60  414.478 25230.79  582.532 25582.81  589.859  630.172   7.2792  634.551   7.3199 -4.378723 10.32313 
1 1 1   15    1    7 o  748.255   6.0049 35576.46  570.565 35821.13  812.360 35338.25  801.550  750.791   8.5202  745.718   8.4641 5.073608 12.00977 
1 1 1   15    1    8 o  782.226   6.2562 38885.03  621.472 38960.54  880.463 38810.05  877.333  782.982   8.8549  781.469   8.8405 1.512512 12.51249 
1 1 1   15    1    9 o   78.197   5.0887  388.372   50.533   0.0000   0.0000  388.372   50.533  ?   ?    78.197   5.0887      ?      ? 
1 1 1   15    1   10 o  1069.43   10.288 73029.91  1324.55 73592.16  1634.84 71955.70  2259.72  1075.80   11.966  1063.05   16.739 12.75220 20.57626 
1 1 1   15    1   11 f  241.982   2.7892  3718.66   85.697  3627.34  120.896  3810.89  121.494  238.995   3.9833  244.968   3.9054 -5.972855 5.578460 
1 1 1   15    1   12 o  415.276   5.3096 10952.99  280.014   0.0000   0.0000 10952.99  280.014  ?   ?   415.276   5.3096      ?      ? 
1 1 1   15    1   13 o  1382.32   10.803 121564.40  1896.07 122954.20  2710.75 120233.10  2653.09  1390.04   15.356  1374.61   15.198 15.43726 21.60559 
1 1 1   15    1   14 o  393.468   3.6453  9820.47  182.016  9515.96  251.594 10154.85  263.646  387.077   5.1183  399.859   5.1920 -12.78134 7.290690 
1 1 1   15    1   15 o  369.683   3.4791  8679.71  163.329  8719.70  232.044  8640.44  229.933  370.527   4.9314  368.839   4.9089 1.687408 6.958206 
1 1 1   15    1   16 o  581.225   4.8417 21456.13  357.264 21829.28  512.924 21104.51  497.906  586.129   6.8910  576.322   6.8031 9.807373 9.683370 
1 1 1   15    1   17 o  268.507   3.0580  4580.33  104.266  4517.22  147.501  4643.36  147.408  266.657   4.3557  270.357   4.2935 -3.699341 6.116070 
1 1 1   15    1   18 o  154.435   3.2890  1515.52   64.490  1525.46   92.292  1506.04   90.150  154.928   4.6909  153.941   4.6114 0.9871521 6.577976 
1 1 1   15    1   19 o  291.117   3.1870  5386.70  117.818  5370.22  167.027  5403.01  166.215  290.672   4.5249  291.561   4.4891 -0.8882751 6.373917 
1 1 1   15    1   20 o  345.727   3.4336  7599.14  150.747  7539.38  212.135  7660.10  214.260  344.355   4.8510  347.100   4.8608 -2.744812 6.867256 
1 1 1   15    1   21 o  216.531   3.0863  2975.76   84.776  2794.83  117.425  3172.74  122.521  209.666   4.4102  223.397   4.3187 -13.73161 6.172604 
1 1 1   15    1   22 o  202.534   3.2534  2607.28   83.650  2704.04  119.822  2515.30  116.831  206.199   4.5759  198.869   4.6261 7.329926 6.506859 
1 1 1   15    1   23 o  248.197   3.1950  3919.61  100.675  3872.57  143.546  3965.15  141.234  246.725   4.5814  249.669   4.4545 -2.944748 6.389985 
1 1 1   15    1   24 o  110.763   4.9333  785.447   69.176  735.321   99.543  832.266   96.203  107.307   7.3047  114.218   6.6324 -6.911720 9.866513 
1 1 1   15    1   26 o  198.361   3.7581  2508.87   94.622  2531.32  132.105  2485.21  135.595  199.287   5.2199  197.436   5.4080 1.851196 7.516264 
1 1 1   15    1   27 o  164.830   4.0485  1735.46   84.644  1749.69  117.167  1719.92  122.414  165.561   5.5728  164.098   5.8742 1.462784 8.097035 
1 1 1   15    1   28 f  158.874   4.2451  1616.27   85.613  1652.19  120.304  1579.40  121.860  160.686   5.8955  157.062   6.1096 3.624359 8.490259 
1 1 1   15    1   29 o   71.992   8.4583  348.210   74.313  269.119  102.159  437.095  108.299   62.372   13.303   81.612   10.449 -19.24056 16.91663 
1 1 1   15    1   30 o   20.624   10.393 -466.7726   91.831 -567.7853  134.203 -377.8319  125.928  ?   ?    20.624   10.393      ?      ? 
1 1 1   15    1   31 o  199.887   3.9642  2581.17  100.611  2645.81  143.589  2518.82  141.016  202.357   5.5876  197.418   5.6248 4.938461 7.928393 
1 1 1   15    1   32 o  130.438   5.7663  1105.40   93.005  1015.97  116.977  1259.07  153.343  123.970   7.4303  136.906   8.8199 -12.93577 11.53255 
1 1 1   15    3    0 f  650.377   5.3032 26860.23  437.788 26356.78  607.603 27403.78  631.331  644.047   7.4289  656.706   7.5702 -12.65851 10.60645 
1 1 1   15    3    1 o  433.216   3.7949 11799.49  207.466 13006.59  315.792 10882.86  275.185  452.506   5.4954  413.925   5.2351 38.58090 7.589837 
1 1 1   15    3    2 o  777.530   6.2249 38423.41  614.646 38397.36  868.140 38449.61  870.345  777.266   8.7951  777.794   8.8115 -0.5272827 12.44976 
1 1 1   15    3    3 o  737.148   5.9275 34468.26  554.120 33382.30  759.876 35701.59  809.793  724.780   8.2558  749.516   8.5078 -24.73578 11.85497 
1 1 1   15    3    4 o  358.718   3.3068  8157.03  150.457  7868.57  206.629  8482.58  219.510  351.981   4.6227  365.454   4.7298 -13.47321 6.613647 
1 1 1   15    3    5 o  595.610   4.9008 22514.65  370.418 23121.97  536.368 21960.90  512.169  603.277   7.0011  587.942   6.8596 15.33527 9.801550 
1 1 1   15    3    6 o  560.214   4.6499 19928.22  330.703 19598.51  460.647 20278.89  475.056  555.436   6.5306  564.991   6.6210 -9.555176 9.299860 
1 1 1   15    3    7 o  685.965   5.5559 29863.08  483.562 30698.87  701.971 29108.31  667.082  695.082   7.9525  676.847   7.7609 18.23499 11.11188 
1 1 1   15    3    8 o  368.785   3.3896  8543.47  157.731  7828.84  209.124  9486.48  240.228  351.094   4.6903  386.476   4.8947 -35.38211 6.779160 
1 1 1   15    3    9 o  870.965   8.4805 48192.26  883.560 48102.52  1080.76 48373.11  1534.28  869.957   9.7826  871.972   13.856 -2.015198 16.96102 
1 1 1   15    3   10 f  1999.58   22.054 256035.20  5597.77 251728.91  7779.24 260659.20  8061.16  1982.31   30.902  2016.84   31.474 -34.52393 44.10820 
1 1 1   15    3   11 o  198.120   2.9179  2492.52   73.398  2563.83  104.290  2422.53  103.317  200.927   4.0872  195.312   4.1655 5.615524 5.835787 
1 1 1   15    3   12 o  567.235   4.7492 20438.53  342.109 20424.53  484.077 20452.49  483.555  567.041   6.7224  567.430   6.7105 -0.3885498 9.498487 
1 1 1   15    3   13 o  878.275   7.0001 48929.68  779.603 50709.00  1140.48 47368.96  1068.13  893.221   10.054  863.329   9.7425 29.89233 14.00013 
1 1 1   15    3   14 o  738.357   5.9670 34599.57  558.998 35590.32  811.616 33705.43  771.029  748.394   8.5397  728.319   8.3363 20.07446 11.93398 
1 1 1   15    3   15 o  575.419   4.8069 21030.24  351.197 20753.32  490.995 21320.32  502.541  571.544   6.7647  579.295   6.8311 -7.751709 9.613850 
1 1 1   15    3   16 o  830.429   6.6482 43860.25  701.094 43969.48  994.339 43752.26  988.680  831.455   9.4171  829.403   9.3867 2.051941 13.29631 
1 1 1   15    3   17 o  516.359   4.4138 16950.61  289.421 16815.21  407.802 17088.02  410.820  514.281   6.2441  518.436   6.2399 -4.155518 8.827550 
1 1 1   15    3   18 o  152.555   3.2522  1480.82   62.922  1438.76   90.526  1520.14   87.520  150.452   4.7380  154.658   4.4561 -4.205475 6.504316 
1 1 1   15    3   19 o  539.695   4.5872 18527.73  314.323 18206.58  438.773 18866.28  450.498  534.898   6.4594  544.493   6.5151 -9.594482 9.174454 
1 1 1   15    3   20 o  445.599   3.9870 12631.88  225.603 12609.80  320.504 12653.55  317.619  445.208   5.6688  445.989   5.6079 -0.7808228 7.973991 
1 1 1   15    3   21 o  205.229   3.0913  2676.05   80.501  2721.42  116.621  2634.76  111.260  206.885   4.4389  203.572   4.3037 3.312286 6.182660 
1 1 1   15    3   22 o  231.947   3.1313  3418.15   92.167  3505.33  133.426  3338.59  127.467  234.768   4.4753  229.124   4.3807 5.643967 6.262516 
1 1 1   15    3   23 o  276.206   4.0685  4821.71  133.976  4751.26  162.858  4969.21  235.648  273.256   4.6931  279.156   6.6472 -5.899841 8.136997 
1 1 1   15    3   24 o  122.383   7.0089  947.595   89.308  985.862  194.618  937.388  100.516  123.551   12.404  121.215   6.5298 2.335487 14.01774 
1 1 1   15    3   26 o  345.756   3.6276  7619.03  159.266  7685.31  227.185  7554.97  223.338  347.229   5.1521  344.283   5.1082 2.945801 7.255218 
1 1 1   15    3   27 o  318.067   3.5527  6453.90  143.488  6349.03  202.757  6559.12  203.089  315.468   5.0611  320.667   4.9872 -5.198761 7.105384 
1 1 1   15    3   28 o   64.166   8.4573  272.867   66.894  209.464   90.665  348.617   99.100   55.240   13.119   73.092   10.676 -17.85146 16.91465 
1 1 1   15    3   29 o   85.699   6.9105  505.675   70.797  583.589   91.211  387.597  112.286   94.963   7.5633   76.435   11.568 18.52866 13.82102 
1 1 1   15    3   30 o  210.802   6.0856  2868.70  162.914  2868.70  162.914   0.0000   0.0000  210.802   6.0856  ?   ?       ?      ? 
1 1 1   15    3   31 o   47.807   13.340  144.332  123.600   39.097  206.303  203.255  154.372   43.564   19.188   52.051   18.538 -8.486744 26.68003 
1 1 1   15    3   32 o  121.048   8.9859  1090.21  130.270  844.122  202.660  1263.49  170.059  106.172   15.031  135.923   9.8521 -29.75124 17.97181 
1 1 1   15    5    0 o  880.257   7.0079 49235.80  783.164 50070.98  1123.93 48447.57  1091.89  887.504   9.9722  873.010   9.8488 14.49371 14.01581 
1 1 1   15    5    1 o  650.115   6.5132 26956.14  509.872 26567.29  869.644 27159.83  629.398  646.428   10.594  653.802   7.5806 -7.374512 13.02650 
1 1 1   15    5    2 o  644.476   5.2777 26360.59  431.629 27129.66  625.164 25660.05  596.664  653.444   7.5337  635.507   7.3932 17.93732 10.55536 
1 1 1   15    5    3 o  343.793   3.2968  7507.91  143.903  7571.99  201.847  7441.68  205.214  345.286   4.6033  342.300   4.7209 2.986053 6.593675 
1 1 1   15    5    4 o  211.035   2.7761  2817.38   74.198  2686.97  100.547  2973.32  109.947  205.694   3.8492  216.376   4.0012 -10.68188 5.552144 
1 1 1   15    5    5 f  554.502   4.6317 19524.35  326.039 19241.58  453.956 19825.63  468.570  550.359   6.4952  558.645   6.6048 -8.285767 9.263408 
1 1 1   15    5    6 o  627.496   6.3319 24934.31  473.027 25279.02  831.230 24769.21  575.255  630.599   10.380  624.394   7.2548 6.204895 12.66385 
1 1 1   15    5    7 o  702.239   5.6922 31329.15  507.580 31643.87  723.904 31024.79  711.899  705.706   8.0775  698.772   8.0224 6.934143 11.38445 
1 1 1   15    5    8 o  964.669   7.6327 59151.86  935.009 58816.09  1314.76 59495.45  1329.98  961.902   10.763  967.435   10.825 -5.533081 15.26545 
1 1 1   15    5    9 o  808.731   6.4759 41560.51  665.091 41547.60  940.321 41573.44  940.840  808.605   9.1572  808.856   9.1594 -0.2511597 12.95178 
1 1 1   15    5   10 o  221.720   4.0776  3121.92  114.813  3121.92  114.813   0.0000   0.0000  221.720   4.0776  ?   ?       ?      ? 
1 1 1   15    5   11 o   31.664   11.664   49.865   61.767   49.865   61.767   0.0000   0.0000   31.664   11.664  ?   ?       ?      ? 
1 1 1   15    5   12 o  459.044   4.0510 13370.61  236.017 13789.55  340.889 12984.89  327.095  465.943   5.7611  452.145   5.6966 13.79718 8.101953 
1 1 1   15    5   13 o  656.209   5.3844 27278.86  447.771 28551.48  659.596 26191.07  609.818  670.357   7.7481  642.062   7.4790 28.29401 10.76887 
1 1 1   15    5   14 o  862.514   6.8933 47291.59  755.040 47283.06  1067.40 47300.13  1068.17  862.437   9.7459  862.592   9.7512 -0.1550293 13.78657 
1 1 1   15    5   15 o  466.487   4.0823 13822.48  241.805 13610.17  338.612 14043.40  345.418  462.834   5.7610  470.141   5.7855 -7.307465 8.164635 
1 1 1   15    5   16 o  193.089   2.9117  2357.24   71.225  2560.21  105.034  2184.44   96.912  200.747   4.1200  185.431   4.1154 15.31612 5.823373 
1 1 1   15    5   17 o  490.147   4.2480 15279.04  264.412 15261.12  374.922 15296.78  372.956  489.859   6.0269  490.436   5.9882 -0.5769653 8.496001 
1 1 1   15    5   18 o  458.737   4.0370 13380.38  235.130 13554.00  336.808 13215.31  328.399  461.634   5.7452  455.839   5.6730 5.794708 8.074062 
1 1 1   15    5   19 o  453.671   4.0256 13093.19  231.918 13069.24  329.074 13116.83  326.900  453.255   5.7171  454.086   5.6689 -0.8315735 8.051169 
1 1 1   15    5   20 o  240.076   3.0314  3661.43   92.308  3717.35  134.316  3611.38  127.071  241.806   4.3740  238.346   4.1982 3.459442 6.062757 
1 1 1   15    5   21 o  295.366   3.2118  5548.65  120.453  5421.05  170.105  5676.98  170.589  291.956   4.5880  298.777   4.4960 -6.821777 6.423684 
1 1 1   15    5   22 o  246.993   3.0614  3879.85   96.004  3862.37  134.281  3898.14  137.310  246.428   4.2909  247.558   4.3677 -1.130768 6.122760 
1 1 1   15    5   23 o  194.947   3.2703  2418.71   80.959  2391.72  114.466  2445.73  114.519  193.857   4.6496  196.038   4.6000 -2.181229 6.540589 
1 1 1   15    5   24 o  181.298   5.4520  2094.51  125.524  2094.51  125.524   0.0000   0.0000  181.298   5.4520  ?   ?       ?      ? 
1 1 1   15    5   25 o  362.548   3.6553  8377.05  168.285  8319.45  238.723  8433.95  237.265  361.301   5.2029  363.796   5.1357 -2.495087 7.310652 
1 1 1   15    5   26 o  171.277   3.6070  1868.88   78.374  1832.68  107.983  1909.18  113.933  169.538   5.0154  173.016   5.1854 -3.477432 7.214101 
1 1 1   15    5   27 o   96.385   4.8501  591.734   59.137  527.820   80.209  667.858   87.535   90.707   6.9631  102.064   6.7535 -11.35674 9.700264 
1 1 1   15    5   28 o  156.914   6.1950  1726.56   97.513  1384.01  207.487  1823.67  110.474  145.002   11.268  168.826   5.1528 -23.82434 12.39010 
1 1 1   15    5   29 o   60.353   13.573  277.373  126.531  115.784  210.835  368.335  158.185   50.080   20.601   70.626   17.678 -20.54572 27.14661 
1 1 1   15    5   30 o   71.268   12.858  372.517  111.319  457.636  195.443  331.643  135.435   75.859   20.002   66.676   16.163 9.182617 25.71635 
1 1 1   15    5   31 o   85.488   12.398  589.178  127.485  492.125  207.351  648.163  161.648   75.674   20.891   95.302   13.356 -19.62823 24.79546 
1 1 1   15    7    0 o  746.100   6.8623 36240.72  584.109 37413.49  694.545 33407.13  1079.60  767.397   7.1269  724.804   11.729 42.59344 13.72463 
1 1 1   15    7    1 o  311.544   3.8050  6139.67  141.034  6093.41  171.364  6236.77  248.285  309.750   4.3564  313.339   6.2396 -3.588501 7.609957 
1 1 1   15    7    2 o  350.718   4.1309  7773.99  173.868  7695.02  212.925  7932.00  301.199  348.079   4.8169  353.357   6.7122 -5.278076 8.261727 
1 1 1   15    7    3 o  814.931   8.0084 42016.58  776.604 41633.56  943.474 42821.39  1367.62  809.387   9.1790  820.474   13.126 -11.08691 16.01683 
1 1 1   15    7    4 o  1435.62   11.213 131187.30  2044.06 132218.59  2913.18 130187.20  2868.80  1441.16   15.918  1430.08   15.797 11.08594 22.42548 
1 1 1   15    7    5 o  109.646   4.1755  767.138   57.340  786.203   75.627  741.358   87.943  111.259   5.3526  108.032   6.4101 3.226189 8.351046 
1 1 1   15    7    6 o  716.296   5.8269 32535.84  529.391 33844.15  772.391 31376.76  727.011  729.845   8.3335  702.747   8.1464 27.09808 11.65381 
1 1 1   15    7    7 o  517.010   4.4730 16976.19  293.645 17344.03  417.667 16616.65  412.928  522.548   6.2940  511.472   6.3573 11.07639 8.945944 
1 1 1   15    7    8 o  355.694   3.5790  8017.27  160.960  7851.50  216.708  8221.26  240.395  351.605   4.8534  359.782   5.2615 -8.177094 7.158086 
1 1 1   15    7    9 f  326.017   4.7687  6750.24  197.431  6750.24  197.431   0.0000   0.0000  326.017   4.7687  ?   ?       ?      ? 
1 1 1   15    7   10 o  1113.99   8.8022 78877.35  1244.76 77676.47  1731.87 80160.63  1790.29  1105.24   12.339  1122.74   12.556 -17.50513 17.60446 
1 1 1   15    7   11 o  730.067   5.9542 33844.29  551.711 33219.97  764.813 34521.65  796.634  723.058   8.3292  737.077   8.5108 -14.01855 11.90836 
1 1 1   15    7   12 o  357.695   3.5003  8124.29  158.872  8077.37  219.997  8175.44  229.674  356.618   4.8578  358.772   5.0410 -2.154785 7.000671 
1 1 1   15    7   13 o  465.373   4.1241 13758.91  243.721 13845.84  344.289 13671.59  345.059  466.847   5.8072  463.898   5.8572 2.948914 8.248100 
1 1 1   15    7   14 o  294.159   3.1874  5492.50  118.993  5378.46  164.745  5616.89  172.055  290.971   4.4585  297.347   4.5564 -6.376282 6.374889 
1 1 1   15    7   15 o  280.609   3.1164  5005.90  110.970  5076.68  154.596  4930.67  159.383  282.661   4.3068  278.558   4.5056 4.103546 6.232877 
1 1 1   15    7   16 o  309.820   3.2963  6096.72  129.638  5956.23  180.140  6247.65  186.707  306.122   4.6338  313.518   4.6894 -7.395782 6.592647 
1 1 1   15    7   17 o  487.513   4.4323 15014.78  272.511 14268.84  361.198 16000.43  415.198  473.599   6.0056  501.428   6.5203 -27.82944 8.864639 
1 1 1   15    7   18 o  187.071   4.4752  2376.66   99.006  2804.08  127.079  1716.55  157.928  210.004   4.7651  164.139   7.5765 45.86494 8.950386 
1 1 1   15    7   19 o  195.541   5.2762  2444.85  130.252  2357.24  192.990  2518.14  176.517  192.268   7.9041  198.814   6.9914 -6.545181 10.55243 
1 1 1   15    7   20 o  195.995   5.0448  2451.18  125.435  2379.07  179.745  2519.64  175.129  193.161   7.3276  198.829   6.9359 -5.667709 10.08959 
1 1 1   15    7   21 o  198.209   5.1568  2508.44  129.617  2472.65  187.630  2541.10  179.268  196.827   7.5066  199.590   7.0727 -2.763412 10.31368 
1 1 1   15    7   22 o   35.013   11.256 -107.2679  108.557 -21.0779  169.327 -167.4148  141.451   40.478   17.616   29.547   14.016 10.93099 22.51129 
1 1 1   15    7   23 o  291.107   5.5330  5436.54  203.919  5098.03  293.558  5752.19  283.477  282.223   8.1907  299.992   7.4410 -17.76898 11.06601 
1 1 1   15    7   24 o   68.880   13.401  327.582  120.001  307.533  187.957  341.377  155.913   67.235   20.305   70.525   17.493 -3.289490 26.80120 
1 1 1   15    7   25 o  274.025   5.5506  4801.05  191.621  4927.42  291.496  4704.89  254.285  277.036   8.2855  271.013   7.3884 6.022614 11.10127 
1 1 1   15    7   26 o  343.485   5.4449  7579.30  237.389  7679.16  341.975  7486.43  329.795  345.619   7.7915  341.352   7.6079 4.267059 10.88976 
1 1 1   15    7   27 o   39.907   12.505 -27.5550  124.456 -48.0606  193.899 -13.1879  162.302   40.752   18.235   39.062   17.116 1.689831 25.00950 
1 1 1   15    7   28 o  127.792   8.0944  1097.52  129.950  993.471  191.791  1185.83  176.690  121.612   12.419  133.972   10.385 -12.36026 16.18882 
1 1 1   15    7   29 o   79.746   13.624  484.314  137.786  630.205  206.763  367.772  184.798   91.166   18.492   68.327   20.013 22.83885 27.24790 
1 1 1   15    7   30 o   42.018   12.987   33.275  125.996  117.403  211.924 -12.7200  156.697   47.617   20.193   36.418   16.337 11.19875 25.97452 
1 1 1   15    9    0 o  422.720   4.6979 11235.53  234.381 11044.56  282.125 11660.96  421.080  417.010   5.3274  428.431   7.7394 -11.42032 9.395720 
1 1 1   15    9    1 o  633.322   6.0512 25556.18  424.803 25632.15  492.887 25336.77  837.653  635.256   6.1097  631.388   10.447 3.867188 12.10238 
1 1 1   15    9    2 o  804.765   7.4931 40992.61  660.381 40826.62  760.228 41502.95  1333.01  801.661   7.4675  807.869   12.993 -6.208618 14.98622 
1 1 1   15    9    3 o  531.654   5.2459 18325.86  315.376 18791.82  372.224 17140.22  593.755  543.943   5.3886  519.366   9.0024 24.57635 10.49186 
1 1 1   15    9    4 o  865.597   7.9671 48007.13  767.050 48419.13  892.917 46846.91  1498.41  872.984   8.0543  858.210   13.749 14.77466 15.93413 
1 1 1   15    9    5 o  445.723   4.7384 12747.70  232.178 12878.03  268.748 12364.16  461.018  450.306   4.6996  441.140   8.2293 9.166321 9.476706 
1 1 1   15    9    6 o  1016.77   9.2744 66242.37  1047.27 66773.61  1217.99 64735.73  2051.16  1025.06   9.3566  1008.48   16.016 16.57202 18.54875 
1 1 1   15    9    7 o  430.304   4.8444 11869.97  250.393 12103.09  309.266 11426.37  426.617  436.526   5.5788  424.082   7.9215 12.44336 9.688881 
1 1 1   15    9    8 o  343.823   4.0213  7518.20  149.603  7526.94  171.464  7490.32  306.185  344.272   3.9219  343.375   7.0216 0.8975525 8.042657 
1 1 1   15    9    9 o  652.352   6.2594 26729.49  440.847 26451.58  503.347 27644.74  913.450  645.301   6.1423  659.402   10.908 -14.10107 12.51871 
1 1 1   15    9   10 o  480.958   4.9205 14351.38  251.280 14077.35  284.273 15330.59  537.378  470.786   4.7548  491.130   8.6160 -20.34494 9.840919 
1 1 1   15    9   11 o  364.543   4.1377  8223.10  158.661  8057.17  178.771  8838.65  344.321  356.169   3.9524  372.918   7.2706 -16.74841 8.275490 
1 1 1   15    9   12 o  162.273   3.9900  1692.73   57.170  1700.39   61.744  1646.76  151.353  163.624   2.9715  160.922   7.4062 2.701813 7.980080 
1 1 1   15    9   13 o  697.541   8.1256 30970.74  718.433 32317.68  1056.06 29810.36  980.208  711.562   11.687  683.520   11.292 28.04193 16.25128 
1 1 1   15    9   14 o  592.528   7.1174 22396.77  535.549 22226.40  755.024 22569.28  759.760  590.259   10.073  594.798   10.058 -4.539307 14.23476 
1 1 1   15    9   15 o  448.330   5.8034 12780.10  330.032 12243.63  453.649 13383.26  481.024  438.368   8.1490  458.293   8.2651 -19.92520 11.60677 
1 1 1   15    9   16 o  418.192   5.6068 11144.53  297.729 11159.72  424.329 11129.80  417.850  418.462   7.9849  417.922   7.8731 0.5400391 11.21360 
1 1 1   15    9   17 o  150.983   5.7611  1453.09  110.437  1416.66  154.379  1491.28  158.047  149.045   8.1563  152.921   8.1384 -3.876526 11.52213 
1 1 1   15    9   18 o  345.492   5.1398  7609.67  225.482  7501.07  319.659  7717.22  318.104  343.026   7.3381  347.959   7.1989 -4.933197 10.27966 
1 1 1   15    9   19 o  396.422   5.5129 10017.57  277.236 10286.58  403.380  9776.75  381.664  401.428   7.9128  391.415   7.6783 10.01370 11.02581 
1 1 1   15    9   20 o  115.328   10.187  853.233  149.201   0.0000   0.0000  853.233  149.201  ?   ?   115.328   10.187      ?      ? 
1 1 1   15    9   21 o  155.400   6.4563  1538.17  126.275  1616.71  193.817  1480.24  166.449  158.747   9.6141  152.052   8.6201 6.694901 12.91265 
1 1 1   15    9   22 o  262.392   5.6280  4435.86  185.851  4151.76  276.645  4669.54  250.904  254.521   8.5590  270.264   7.3104 -15.74342 11.25601 
1 1 1   15    9   23 o  310.264   5.2774  6133.59  207.301  5508.57  283.759  6848.96  303.577  293.337   7.6174  327.191   7.3062 -33.85419 10.55484 
1 1 1   15    9   24 o  147.136   7.6780  1383.67  142.077  1535.72  220.266  1275.32  185.926  153.853   11.274  140.420   10.426 13.43250 15.35594 
1 1 1   15    9   25 o  154.208   7.5533  1564.15  143.786  1469.11  227.946  1626.96  185.302  149.794   11.983  158.622   9.1989 -8.828659 15.10659 
1 1 1   15    9   26 o  150.031   7.7140  1484.72  145.497  1427.48  219.229  1529.79  194.509  147.042   11.740  153.021   10.009 -5.979492 15.42803 
1 1 1   15    9   27 o   65.768   15.106  314.878  138.395  381.900  239.396  281.236  169.608   69.935   23.150   61.601   19.414 8.334484 30.21265 
1 1 1   15    9   28 o   31.686   10.788 -243.8571  133.255 -493.0247  221.312 -102.1511  166.899   29.333   14.636   34.039   15.851 -4.705637 21.57503 
1 1 1   15    9   29 f   75.079   12.675  441.613  122.641  617.676  181.879  294.813  166.078   90.089   16.506   60.070   19.240 30.01925 25.35036 
1 1 1   15   11    0 o  445.896   4.7059 12793.70  239.666 13011.84  283.989 12253.86  446.758  452.630   4.9406  439.162   8.0107 13.46744 9.411735 
1 1 1   15   11    1 o  180.719   4.2974  2136.01   89.369  2227.86  107.192  1926.62  161.847  187.295   4.5067  174.144   7.3185 13.15146 8.594786 
1 1 1   15   11    2 o  102.194   6.3196  661.575   73.935  658.848   87.268  668.513  139.177  101.840   6.7477  102.548   10.687 -0.7081451 12.63912 
1 1 1   15   11    3 o  623.049   6.0097 24748.41  415.576 24834.80  482.573 24500.46  817.547  625.276   6.0773  620.822   10.370 4.454285 12.01938 
1 1 1   15   11    4 o  986.395   9.0577 61548.54  976.147 61221.13  1122.17 62566.73  1978.92  981.484   9.0032  991.306   15.720 -9.822571 18.11531 
1 1 1   15   11    5 o  750.606   6.9765 36526.98  593.079 37433.65  700.564 34233.38  1114.24  767.579   7.1870  733.634   11.960 33.94501 13.95309 
1 1 1   15   11    6 o  944.124   8.6395 57234.50  908.893 57810.75  1059.54 55629.17  1768.43  953.676   8.7486  934.571   14.900 19.10486 17.27891 
1 1 1   15   11    7 o  655.382   6.3060 26686.54  440.999 26178.29  499.958 28468.27  936.077  641.882   6.1334  668.882   11.020 -27.00043 12.61191 
1 1 1   15   11    8 o  352.781   4.0828  7860.30  155.577  7817.22  177.883  8000.50  320.885  350.809   3.9929  354.753   7.1227 -3.943878 8.165540 
1 1 1   15   11    9 o  602.306   5.7941 23406.32  390.290 23778.73  456.594 22396.05  752.029  611.629   5.8785  592.983   9.9865 18.64606 11.58823 
1 1 1   15   11   10 o  715.140   6.7734 32535.87  530.320 32481.01  610.875 32703.71  1068.47  714.578   6.7317  715.703   11.756 -1.125366 13.54679 
1 1 1   15   11   11 o  323.796   3.9655  6513.82  132.645  6407.37  148.587  6931.57  294.348  317.564   3.6845  330.028   7.0232 -12.46411 7.930964 
1 1 1   15   11   12 o  325.766   3.9557  6442.72  133.064  6236.48  148.512  7282.21  299.626  313.288   3.7329  338.243   6.9755 -24.95447 7.911463 
1 1 1   15   11   13 o  327.858   4.9940  6840.58  207.861  6610.02  290.641  7081.98  297.396  322.201   7.1032  333.516   7.0217 -11.31479 9.987953 
1 1 1   15   11   14 o  359.961   5.1621  8248.83  235.805  8389.22  341.039  8120.23  326.398  362.878   7.4006  357.045   7.1986 5.833130 10.32416 
1 1 1   15   11   15 o  426.343   5.6582 11592.45  306.325 11455.38  433.889 11728.67  432.532  423.817   8.0616  428.870   7.9417 -5.053375 11.31641 
1 1 1   15   11   16 o  331.371   5.1634  7005.58  216.576  6934.33  318.529  7066.84  295.353  329.746   7.6066  332.996   6.9843 -3.249756 10.32673 
1 1 1   15   11   17 o  202.682   5.3319  2610.75  136.963  2813.40  201.213  2435.78  186.962  209.981   7.5457  195.383   7.5351 14.59814 10.66372 
1 1 1   15   11   18 o  421.156   5.7110 11335.40  305.378 11327.53  436.436 11342.95  427.445  420.984   8.1635  421.329   7.9888 -0.3449707 11.42208 
1 1 1   15   11   19 o  403.918   5.7279 10384.41  292.388 10925.99  439.664  9954.98  391.510  413.212   8.3786  394.623   7.8124 18.58957 11.45573 
1 1 1   15   11   20 f  471.987   6.4082 14168.07  381.113 15224.19  583.750 13383.49  503.138  486.986   9.4391  456.987   8.6697 29.99893 12.81646 
1 1 1   15   11   21 o  208.843   5.8221  2781.50  153.069  2895.50  234.284  2696.60  202.188  212.451   8.6837  205.236   7.7576 7.215088 11.64420 
1 1 1   15   11   22 o   58.162   12.297  188.550  122.581  416.325  167.222 -75.9994  180.217   77.715   17.379   38.610   17.403 39.10598 24.59480 
1 1 1   15   11   23 o  211.255   5.8594  2870.35  157.148  2960.01  225.134  2785.15  219.458  214.478   8.2657  208.032   8.3070 6.445282 11.71870 
1 1 1   15   11   24 f  169.722   6.4184  1869.55  138.073  1820.77  199.910  1914.05  190.928  167.477   9.3994  171.967   8.7427 -4.489792 12.83681 
1 1 1   15   11   25 o  102.896   10.839  720.208  139.983  757.706  216.912  693.446  183.250  104.677   16.318  101.117   14.271 3.560051 21.67755 
1 1 1   15   11   26 o  184.056   8.7875  2320.64  200.910  2150.17  310.475  2443.45  263.522  176.792   13.829  191.320   10.846 -14.52818 17.57497 
1 1 1   15   11   27 f   44.395   19.040   67.225  192.227   0.0000   0.0000   67.225  192.227  ?   ?    44.395   19.040      ?      ? 
1 1 1   15   13    0 o  195.775   4.1767  2439.12   93.864  2443.36  111.150  2428.59  175.254  196.111   4.4630  195.438   7.0612 0.6729889 8.353430 
1 1 1   15   13    1 o  118.574   5.3976  887.343   73.922  877.821   87.642  910.818  137.610  117.521   5.8724  119.628   9.0582 -2.106934 10.79519 
1 1 1   15   13    2 o  514.949   5.2024 17047.96  302.611 17270.71  355.776 16465.23  575.448  521.299   5.3742  508.600   8.9095 12.69925 10.40484 
1 1 1   15   13    3 o  181.033   4.1026  2089.39   85.915  2098.05  102.344  2068.71  158.109  181.714   4.4350  180.352   6.9033 1.361679 8.205203 
1 1 1   15   13    4 o  100.883   6.0863  681.295   69.494  728.174   83.130  572.507  126.636  107.012   6.1171   94.755   10.524 12.25762 12.17263 
1 1 1   15   13    5 o  330.223   4.0771  6967.77  152.658  7009.71  179.555  6858.40  289.971  332.131   4.2571  328.315   6.9548 3.815247 8.154261 
1 1 1   15   13    6 o  155.572   4.2776  1482.73   75.291  1419.37   87.449  1664.27  148.021  149.439   4.6080  161.705   7.2081 -12.26596 8.555142 
1 1 1   15   13    7 o  243.200   3.7882  3795.85  101.848  3832.85  118.217  3689.31  200.605  245.605   3.7902  240.796   6.5602 4.808716 7.576406 
1 1 1   15   13    8 o  240.950   3.8356  3725.10  100.724  3757.17  116.059  3627.24  202.749  243.164   3.7584  238.736   6.6875 4.428268 7.671250 
1 1 1   15   13    9 o  458.210   4.7678 13319.68  238.796 13276.65  274.728 13452.64  482.952  456.988   4.7339  459.431   8.2776 -2.442108 9.535687 
1 1 1   15   13   10 o  338.255   3.9966  7235.96  146.091  7197.69  167.091  7360.18  301.000  336.533   3.9097  339.978   6.9717 -3.444702 7.993155 
1 1 1   15   13   11 o  116.574   4.9591  856.967   52.208  853.352   56.527  877.949  136.183  115.874   3.8415  117.274   9.1441 -1.400467 9.918278 
1 1 1   15   13   12 o  175.666   3.9565  1947.89   64.803  1940.48   70.670  1987.01  162.440  174.755   3.1844  176.578   7.2440 -1.823517 7.913026 
1 1 1   15   13   13 o  345.283   5.1303  7595.60  224.812  7223.66  314.038  7986.59  321.976  336.600   7.3467  353.965   7.1628 -17.36487 10.26059 
1 1 1   15   13   14 f   48.972   12.997  110.486  107.138  164.293  174.541   77.955  135.715   54.368   19.670   43.577   16.994 10.79054 25.99429 
1 1 1   15   13   15 o  227.138   5.1538  3266.17  148.042  3605.38  221.846  2993.85  198.775  237.675   7.3501  216.601   7.2264 21.07410 10.30753 
1 1 1   15   13   16 o  355.810   5.3979  8075.37  243.323  8271.36  358.443  7907.86  331.371  359.746   7.8460  351.875   7.4156 7.871246 10.79587 
1 1 1   15   13   17 o  299.157   5.2421  5680.48  198.068  6073.17  299.469  5375.12  264.077  308.225   7.6508  290.090   7.1684 18.13492 10.48430 
1 1 1   15   13   18 o  277.999   5.5998  4956.35  197.196  4788.24  286.217  5108.25  272.074  273.409   8.2434  282.588   7.5815 -9.178314 11.19966 
1 1 1   15   13   19 o  340.229   5.3918  7410.39  232.955  7418.17  330.865  7402.75  328.050  340.396   7.6540  340.063   7.5963 0.3331604 10.78368 
1 1 1   15   13   20 o  163.008   7.0447  1725.55  144.156  1634.25  217.617  1796.94  192.434  158.916   10.783  167.099   9.0684 -8.182755 14.08945 
1 1 1   15   13   21 o  301.826   5.4676  5857.56  208.982  5792.47  306.296  5914.25  285.851  300.114   8.0367  303.539   7.4156 -3.424561 10.93527 
1 1 1   15   13   22 o   53.635   13.454  182.430  120.215   60.265  200.775  250.704  150.093   47.412   19.855   59.858   18.160 -12.44564 26.90753 
1 1 1   15   13   23 o  197.817   6.5731  2581.17  160.903  2425.54  253.381  2686.34  208.291  192.093   10.387  203.540   8.0583 -11.44696 13.14620 
1 1 1   15   15    0 o  580.382   5.7643 21332.29  370.868 21191.62  429.385 21745.49  735.888  577.156   5.8584  583.607   9.9292 -6.451538 11.52861 
1 1 1   15   15    1 o  210.764   4.2275  2855.14  101.541  2892.75  120.036  2760.51  190.397  213.324   4.4309  208.203   7.2011 5.121750 8.455073 
1 1 1   15   15    2 o  260.206   4.0457  4285.76  120.778  4257.38  142.682  4357.48  226.847  258.798   4.3414  261.614   6.8280 -2.815826 8.091327 
1 1 1   15   15    3 o  278.943   4.0156  4988.16  129.788  5044.53  155.080  4856.39  237.121  281.705   4.3350  276.181   6.7608 5.523499 8.031199 
1 1 1   15   15    4 o  152.203   4.6895  1483.06   82.484  1494.74   98.290  1455.23  151.668  153.309   5.0485  151.097   7.9042 2.212006 9.378921 
1 1 1   15   15    5 o  393.494   4.4419  9656.05  195.135  9444.13  225.947 10278.01  387.081  385.400   4.6165  401.589   7.5900 -16.18936 8.883739 
1 1 1   15   15    6 o  291.402   4.1385  5371.05  143.023  5312.61  173.156  5496.53  253.719  289.040   4.7174  293.765   6.8010 -4.725739 8.276957 
1 1 1   15   15    7 o  141.298   5.0055  1321.27   79.033  1381.40   93.194  1167.26  149.141  147.370   4.9797  135.226   8.6848 12.14328 10.01109 
1 1 1   15   15    8 o  182.625   4.3905  2163.42   88.805  2206.70  103.470  2042.36  173.042  186.289   4.3737  178.960   7.6141 7.329697 8.780901 
1 1 1   15   15    9 o  246.446   4.0180  3835.63  107.127  3807.93  122.534  3925.47  220.671  244.738   3.9426  248.154   7.0024 -3.416550 8.035992 
1 1 1   15   15   10 o  244.508   3.9811  3908.70  105.436  4007.95  121.696  3609.92  211.144  251.081   3.8167  237.935   6.9878 13.14595 7.962214 
1 1 1   15   15   11 o  240.813   4.0134  3817.91  102.796  3928.66  117.831  3465.10  210.309  248.577   3.7327  233.048   7.1061 15.52921 8.026842 
1 1 1   15   15   12 o  242.811   3.9101  3718.23   98.928  3690.72  111.416  3820.71  215.053  240.926   3.6416  244.695   6.9206 -3.768845 7.820205 
1 1 1   15   15   13 o  380.547   4.6727  9151.91  209.073  9010.19  251.012  9472.94  377.802  376.121   5.2552  384.974   7.7278 -8.852844 9.345365 
1 1 1   15   15   14 f  491.837   6.5882 15513.37  411.366 14977.50  576.691 16068.51  586.964  483.148   9.3991  500.526   9.2344 -17.37790 13.17635 
1 1 1   15   15   15 o  134.718   9.0553  1171.01  150.906  1204.01  243.904  1150.54  192.085  135.941   14.128  133.495   11.331 2.446442 18.11050 
1 1 1   15   15   16 o   98.286   9.8726  625.816  122.660  715.740  181.461  550.159  166.445  104.803   13.634   91.770   14.282 13.03319 19.74519 
1 1 1   15   15   17 o   75.059   12.976  389.714  123.232  455.358  177.810  329.042  170.945   81.229   17.735   68.890   18.948 12.33842 25.95265 
1 1 1   15   15   18 o   45.207   13.314   40.766  125.620   95.146  194.760   2.0263  164.385   49.701   20.039   40.714   17.537 8.987175 26.62861 
1 1 1   15   15   19 o   91.824   11.728  563.811  132.712  681.884  206.416  480.615  173.270  100.658   16.148   82.991   17.012 17.66701 23.45560 
1 1 1   15   15   20 o  292.275   7.1796  5504.33  266.484   0.0000   0.0000  5504.33  266.484  ?   ?   292.275   7.1796      ?      ? 
1 1 1   15   17    0 o  152.578   3.9533  1473.76   76.354  1590.16  113.674  1378.08  103.066  158.031   5.6643  147.126   5.5163 10.90489 7.906564 
1 1 1   15   17    1 o  199.702   4.6605  2574.79  110.051  2634.93  134.076  2450.60  192.667  203.468   5.1889  195.937   7.7431 7.530640 9.320975 
1 1 1   15   17    2 o  252.445   4.2189  4020.88  124.419  3962.29  148.628  4158.06  227.444  249.556   4.6898  255.334   7.0144 -5.777954 8.437745 
1 1 1   15   17    3 o   93.071   7.7246  584.510   81.091  623.988   96.830  491.811  148.378   98.859   7.7129   87.284   13.386 11.57498 15.44926 
1 1 1   15   17    4 o  144.768   5.2047  1320.20   89.982  1287.49  109.311  1388.94  158.475  142.145   6.0556  147.391   8.4666 -5.246429 10.40933 
1 1 1   15   17    5 o  162.535   4.9282  1695.65   93.413  1711.39  112.116  1659.92  168.921  163.934   5.3854  161.135   8.2550 2.799500 9.856364 
1 1 1   15   17    6 o  103.405   6.6992  646.264   80.283  595.459   94.133  781.816  153.759   96.541   7.6781  110.268   10.980 -13.72681 13.39845 
1 1 1   15   17    7 o  323.460   4.2583  6516.28  152.250  6364.14  175.316  6983.03  307.076  316.260   4.3651  330.660   7.3128 -14.40070 8.516571 
1 1 1   15   17    8 o  159.121   5.7014  1658.97  102.537  1709.52  121.215  1531.78  192.261  163.766   5.8285  154.476   9.8006 9.290024 11.40275 
1 1 1   15   17    9 f  369.091   4.8870  8560.78  211.973  8342.69  253.813  9063.60  385.392  361.820   5.5239  376.361   8.0634 -14.54056 9.774062 
1 1 1   15   17   10 f  177.533   5.7174  2021.83  118.971  2027.94  143.151  2008.17  213.920  178.255   6.3238  176.811   9.5272 1.443787 11.43489 
1 1 1   15   17   11 o  441.473   4.8925 12427.74  235.484 12401.97  270.730 12507.82  477.282  441.257   4.8313  441.689   8.5090 -0.4314270 9.784963 
1 1 1   15   17   12 o  205.799   4.5722  2573.71   95.996  2489.57  106.699  2931.10  219.900  197.753   4.2487  213.845   8.0975 -16.09145 9.144432 
1 1 1   15   17   13 o   63.729   10.672  278.684   58.773  282.616   62.208  245.993  179.358   66.428   7.3742   61.031   20.030 5.397118 21.34423 
1 1 1   15   17   14 o  199.302   6.5204  2554.44  163.422  2609.83  250.235  2513.25  215.798  200.982   9.8042  197.622   8.5988 3.360367 13.04074 
1 1 1   15   17   15 o  249.718   5.5519  4006.92  175.971  4130.72  253.892  3892.47  244.117  253.411   7.8894  246.025   7.8134 7.386261 11.10374 
1 1 1   15   17   16 o   52.867   19.463  167.963  171.941   0.0000   0.0000  167.963  171.941  ?   ?    52.867   19.463      ?      ? 
1 1 1   15   19    0 o   90.502   7.7849  522.415   87.823  678.417  131.506  396.829  117.992  102.676   10.085   78.329   11.862 24.34767 15.56988 
1 1 1   15   19    1 o  236.396   3.8193  3569.70  114.402  3405.04  164.799  3722.84  158.936  231.087   5.6157  241.706   5.1779 -10.61909 7.638525 
1 1 1   15   19    2 o  287.408   4.4970  5281.63  154.882  5297.88  190.062  5249.52  267.225  288.328   5.1908  286.488   7.3450 1.840118 8.994064 
1 1 1   15   19    3 o  101.108   7.6906  645.257   94.316  613.073  115.941  708.220  162.167   97.675   9.3472  104.541   12.215 -6.866562 15.38113 
1 1 1   15   19    4 o  119.609   7.4429  924.387   99.265  926.340  115.623  918.913  193.580  120.297   7.5686  118.922   12.818 1.375168 14.88573 
1 1 1   15   19    5 o  128.607   7.2090  1116.31  102.911  1177.50  121.360  959.701  194.163  135.683   7.0432  121.531   12.581 14.15163 14.41801 
1 1 1   15   19    6 o   47.589   12.437  122.238   92.352  124.702  108.455  115.737  176.142   45.259   15.582   49.919   19.389 -4.659748 24.87432 
1 1 1   15   19    7 o  191.233   4.8545  2241.69  110.740  2071.03  133.057  2626.32  199.759  180.098   5.8177  202.368   7.7730 -22.27039 9.709012 
1 1 1   15   19    8 o  135.455   5.9585  1111.96   94.202  1018.17  110.948  1354.21  178.316  126.088   6.9290  144.822   9.6956 -18.73465 11.91706 
1 1 1   15   19    9 o   76.299   10.699  514.940   90.570  640.770  105.262  156.198  177.734   99.787   8.3065   52.811   19.721 46.97621 21.39863 
1 1 1   15   19   10 o   74.652   10.792  376.510   87.103  375.025   99.957  381.195  177.551   75.974   10.360   73.330   18.935 2.643883 21.58403 
1 1 1   15   19   11 o  182.570   5.0775  2133.19   96.527  2125.68  108.851  2160.84  208.849  182.474   4.6973  182.666   9.0032 -0.1918030 10.15491 
1 1 1   15   19   12 o  136.688   5.8500  1197.78  101.546  1197.78  101.546   0.0000   0.0000  136.688   5.8500  ?   ?       ?      ? 
1 1 1   15   19   13 o  270.275   4.4753  4668.76  153.606  4668.76  153.606   0.0000   0.0000  270.275   4.4753  ?   ?       ?      ? 
1 1 1   15   21    0 o  109.251   6.4323  777.671   86.513  758.692  139.695  789.478  110.185  107.871   10.198  110.631   7.8428 -2.759224 12.86470 
1 1 1   15   21    1 o  113.671   6.0940  833.773   86.868  853.667  134.509  819.539  113.776  114.668   9.2370  112.674   7.9515 1.994217 12.18809 
1 1 1   15   21    2 o  172.060   5.7515  1928.04  118.098  1957.41  144.904  1869.94  203.813  174.565   6.5365  169.555   9.4655 5.010239 11.50310 
1 1 1   15   21    3 o   82.201   10.779  482.588  102.335  519.746  126.042  410.716  175.295   88.914   11.163   75.489   18.443 13.42539 21.55811 
1 1 1   15   21    4 o   61.574   11.632  297.803  101.697  380.819  119.226   76.090  194.842   75.720   12.399   47.428   19.685 28.29144 23.26405 
1 1 1   15   21    5 o   51.073   13.093  167.017  102.902  184.347  118.673  114.505  206.577   51.606   16.235   50.540   20.545 1.066135 26.18541 
1 1 1   15   21    6 o  136.019   7.1460  1159.28  111.511  1088.54  130.375  1352.06  215.222  129.541   7.9252  142.497   11.893 -12.95595 14.29199 
1 1 1   15   21    7 o   80.106   12.650  474.317  119.782  493.171  144.068  432.100  215.575   85.350   13.292   74.862   21.526 10.48780 25.29913 
1 1 1   15   21    9 o  262.238   5.7225  4430.18  190.573  4430.18  190.573   0.0000   0.0000  262.238   5.7225  ?   ?       ?      ? 
1 1 1   15   23    0 f   82.902   10.133  545.334   94.796  339.892  153.521  671.935  120.515   65.672   17.912  100.131   9.4776 -34.45818 20.26523 
1 1 1   15   23    1 o   63.086   13.097  297.947  109.191  232.073  136.165  416.615  182.758   54.748   17.410   71.424   19.570 -16.67630 26.19306 
1 1 1   15   23    2 o   44.275   17.523  119.791  146.176  119.791  146.176   0.0000   0.0000   44.275   17.523  ?   ?       ?      ? 
1 1 1   15   23    3 o   66.600   16.999  346.987  144.255  346.987  144.255   0.0000   0.0000   66.600   16.999  ?   ?       ?      ? 
1 1 1   15   23    4 o   34.109   14.998   6.9445  125.567   6.9445  125.567   0.0000   0.0000   34.109   14.998  ?   ?       ?      ? 
1 1 1   15   23    5 o   55.148   16.365  238.718  122.883  238.718  122.883   0.0000   0.0000   55.148   16.365  ?   ?       ?      ? 
1 1 1   16    0    0 o  226.272   2.6520  3253.91  107.704  3253.91  107.704  3253.91  107.704  226.272   3.7505  226.272   3.7505 -0.000000 0.000000 
1 1 1   16    0    1 o   63.174   4.3019  260.453   47.769  260.453   47.769  260.453   47.769   63.174   6.0839   63.174   6.0839 -0.000000 0.000000 
1 1 1   16    0    2 o   89.884   3.1279  516.777   50.215  516.777   50.215  516.777   50.215   89.884   4.4236   89.884   4.4236 -0.000000 0.000000 
1 1 1   16    0    3 o  489.581   4.1556 15229.19  365.263 15229.19  365.263 15229.19  365.263  489.581   5.8768  489.581   5.8768 -0.000000 0.000000 
1 1 1   16    0    4 o  434.925   3.7845 12018.42  295.510 12018.42  295.510 12018.42  295.510  434.925   5.3522  434.925   5.3522 -0.000000 0.000000 
1 1 1   16    0    5 o  798.650   6.3800 40534.96  914.843 40534.96  914.843 40534.96  914.843  798.650   9.0227  798.650   9.0227 -0.000000 0.000000 
1 1 1   16    0    6 o   27.421   8.2395   67.766   41.201   67.766   41.201   67.766   41.201   27.421   11.652   27.421   11.652 -0.000000 0.000000 
1 1 1   16    0    7 o  490.727   4.1678 15300.27  367.194 15300.27  367.194 15300.27  367.194  490.727   5.8941  490.727   5.8941 -0.000000 0.000000 
1 1 1   16    0    8 f  615.103   5.0408 24040.20  556.686 24040.20  556.686 24040.20  556.686  615.103   7.1288  615.103   7.1288 -0.000000 0.000000 
1 1 1   16    0    9 o  483.477   4.1269 14851.34  358.217 14851.34  358.217 14851.34  358.217  483.477   5.8363  483.477   5.8363 -0.000000 0.000000 
1 1 1   16    0   10 o  724.765   5.8449 33377.40  760.568 33377.40  760.568 33377.40  760.568  724.765   8.2659  724.765   8.2659 -0.000000 0.000000 
1 1 1   16    0   11 o  676.469   5.5066 29075.67  668.797 29075.67  668.797 29075.67  668.797  676.469   7.7875  676.469   7.7875 -0.000000 0.000000 
1 1 1   16    0   12 o  516.808   4.3996 16969.57  408.220 16969.57  408.220 16969.57  408.220  516.808   6.2220  516.808   6.2220 -0.000000 0.000000 
1 1 1   16    0   13 o  1647.62   12.813 172703.30  3790.37 172703.30  3790.37 172703.30  3790.37  1647.62   18.120  1647.62   18.120 -0.000000 0.000000 
1 1 1   16    0   14 o  1384.56   15.305 122098.40  3803.57 122098.40  3803.57 122098.40  3803.57  1384.56   21.644  1384.56   21.644 -0.000000 0.000000 
1 1 1   16    0   15 o  1116.39   8.7812 79237.81  1760.11 79237.81  1760.11 79237.81  1760.11  1116.39   12.418  1116.39   12.418 -0.000000 0.000000 
1 1 1   16    0   16 f  124.383   3.5561  987.393   79.144  987.393   79.144  987.393   79.144  124.383   5.0292  124.383   5.0292 -0.000000 0.000000 
1 1 1   16    0   17 o  1135.01   8.9308 82032.69  1819.96 82032.69  1819.96 82032.69  1819.96  1135.01   12.630  1135.01   12.630 -0.000000 0.000000 
1 1 1   16    0   18 o  269.052   3.0760  4601.99  148.544  4601.99  148.544  4601.99  148.544  269.052   4.3501  269.052   4.3501 -0.000000 0.000000 
1 1 1   16    0   19 o  212.270   3.1234  2866.20  118.956  2866.20  118.956  2866.20  118.956  212.270   4.4172  212.270   4.4172 -0.000000 0.000000 
1 1 1   16    0   20 o  545.478   4.6383 18925.31  454.245 18925.31  454.245 18925.31  454.245  545.478   6.5596  545.478   6.5596 -0.000000 0.000000 
1 1 1   16    0   21 o  248.192   3.1521  3917.75  140.400  3917.75  140.400  3917.75  140.400  248.192   4.4578  248.192   4.4578 -0.000000 0.000000 
1 1 1   16    0   22 o  408.255   3.8051 10600.80  278.880 10600.80  278.880 10600.80  278.880  408.255   5.3812  408.255   5.3812 -0.000000 0.000000 
1 1 1   16    0   23 o  366.275   3.6388  8534.32  239.259  8534.32  239.259  8534.32  239.259  366.275   5.1461  366.275   5.1461 -0.000000 0.000000 
1 1 1   16    0   24 o  249.773   3.4262  3970.94  153.562  3970.94  153.562  3970.94  153.562  249.773   4.8454  249.773   4.8454 -0.000000 0.000000 
1 1 1   16    0   26 o   70.468   8.6992  345.575  100.049  345.575  100.049  345.575  100.049   70.468   12.303   70.468   12.303 -0.000000 0.000000 
1 1 1   16    0   27 o  328.025   3.5914  6853.31  211.463  6853.31  211.463  6853.31  211.463  328.025   5.0791  328.025   5.0791 -0.000000 0.000000 
1 1 1   16    0   28 o   75.157   8.7081  391.895  108.059  391.895  108.059  391.895  108.059   75.157   12.315   75.157   12.315 -0.000000 0.000000 
1 1 1   16    0   29 o  169.435   4.2517  1840.68  129.007  1840.68  129.007  1840.68  129.007  169.435   6.0128  169.435   6.0128 -0.000000 0.000000 
1 1 1   16    0   30 o  354.276   4.1188  8036.67  261.906  8036.67  261.906  8036.67  261.906  354.276   5.8249  354.276   5.8249 -0.000000 0.000000 
1 1 1   16    0   31 o   15.708   7.9527 -152.9245  104.001 -152.9245  104.001 -152.9245  104.001   15.708   11.247   15.708   11.247 -0.000000 0.000000 
1 1 1   16    0   32 o   29.457   12.192   82.389  107.953   82.389  107.953   82.389  107.953   29.457   17.242   29.457   17.242 -0.000000 0.000000 
1 1 1   16    2    0 o  722.316   5.8186 33147.72  533.622 33613.29  764.133 32704.54  745.521  727.262   8.2737  717.370   8.1835 9.891357 11.63718 
1 1 1   16    2    1 o  121.858   2.8129  942.758   43.471  877.430   60.802  1011.07   62.176  117.540   4.0733  126.176   3.8804 -8.635536 5.625771 
1 1 1   16    2    2 o  489.520   4.1586 15194.13  258.204 15770.35  376.674 14683.38  354.632  498.256   5.9530  480.784   5.8083 17.47263 8.317142 
1 1 1   16    2    3 o  583.019   4.8105 21590.62  356.113 21850.72  508.883 21341.00  498.518  586.458   6.8329  579.581   6.7731 6.877747 9.620985 
1 1 1   16    2    4 o  122.922   2.6702  959.674   41.674  965.721   58.499  953.443   59.384  123.315   3.7355  122.528   3.8164 0.7868729 5.340332 
1 1 1   16    2    5 o  388.929   3.4916  9597.85  172.354  9332.11  238.801  9886.79  249.011  383.316   4.9057  394.542   4.9699 -11.22592 6.983261 
1 1 1   16    2    6 o  1001.37   7.8929 63696.73  1002.95 62247.13  1386.22 65289.13  1452.90  989.446   11.032  1013.30   11.291 -23.85626 15.78570 
1 1 1   16    2    7 o  935.746   7.4041 55638.95  879.531 56600.29  1264.61 54738.25  1224.07  943.562   10.554  927.930   10.388 15.63275 14.80824 
1 1 1   16    2    8 f  344.427   3.2310  7534.01  141.322  7479.77  199.251  7588.92  200.473  343.180   4.5719  345.675   4.5668 -2.495056 6.462057 
1 1 1   16    2    9 o  1696.66   26.482 184074.70  5705.85   0.0000   0.0000 184074.70  5705.85  ?   ?   1696.66   26.482      ?      ? 
1 1 1   16    2   10 o  419.968   3.7232 11200.15  198.551 11076.71  278.472 11327.79  283.173  417.616   5.2508  422.321   5.2800 -4.705841 7.446423 
1 1 1   16    2   11 o  1135.10   8.9172 81839.90  1284.33 83981.30  1862.81 79899.70  1773.14  1149.22   12.764  1120.98   12.456 28.23584 17.83435 
1 1 1   16    2   12 o  566.995   4.7574 20421.21  342.552 20374.96  484.133 20467.58  484.753  566.352   6.7313  567.639   6.7247 -1.286133 9.514815 
1 1 1   16    2   13 o  869.298   8.4730 48214.45  886.457 47525.65  1513.55 48574.08  1093.66  864.363   13.789  874.233   9.8509 -9.870117 16.94605 
1 1 1   16    2   14 o  660.900   5.4151 27744.45  454.398 28078.00  650.534 27426.66  634.979  664.776   7.7058  657.025   7.6103 7.750793 10.83030 
1 1 1   16    2   15 o  166.640   3.1391  1762.61   66.409  1821.15   95.191  1707.11   92.692  169.334   4.4266  163.947   4.4521 5.387833 6.278224 
1 1 1   16    2   16 o  250.443   3.0150  3976.72   95.798  4167.41  139.148  3804.90  132.086  256.140   4.2778  244.747   4.2497 11.39297 6.029916 
1 1 1   16    2   17 f  509.031   4.3736 16457.03  282.513 16917.14  409.178 16037.88  390.542  515.816   6.2465  502.246   6.1231 13.57013 8.747116 
1 1 1   16    2   18 o  473.292   4.1418 14230.99  248.739 14604.62  360.603 13891.84  343.556  479.203   5.9256  467.381   5.7883 11.82266 8.283520 
1 1 1   16    2   19 o  455.645   4.0461 13205.14  234.112 13228.18  332.712 13182.54  329.480  456.035   5.7450  455.254   5.6990 0.7810669 8.092209 
1 1 1   16    2   20 o  186.548   3.1493  2213.58   74.528  2183.37  107.507  2241.53  103.410  185.316   4.5682  187.780   4.3365 -2.463867 6.298683 
1 1 1   16    2   21 o  402.361   3.7447 10299.83  191.341 10235.52  270.154 10364.56  271.043  401.099   5.3037  403.622   5.2879 -2.522736 7.489446 
1 1 1   16    2   22 o  443.908   3.9910 12541.49  224.936 12713.26  322.122 12378.02  314.240  446.867   5.6763  440.949   5.6117 5.917969 7.981949 
1 1 1   16    2   23 o  427.086   3.9303 11617.28  213.163 11519.33  301.430 11715.26  301.486  425.280   5.5813  428.892   5.5353 -3.612244 7.860691 
1 1 1   16    2   24 o   90.857   6.3681  528.203   73.391  493.732  101.866  565.408  105.828   87.767   9.1394   93.948   8.8703 -6.180397 12.73624 
1 1 1   16    2   25 o  194.290   4.0959  2408.35  101.013  2337.23  143.366  2478.48  142.348  191.424   5.8976  197.155   5.6855 -5.730804 8.191807 
1 1 1   16    2   26 o  167.865   4.0492  1800.45   86.200  1722.35  123.236  1875.26  120.616  164.270   5.9075  171.460   5.5394 -7.190491 8.098380 
1 1 1   16    2   27 o  216.970   3.6037  3001.38   99.250  3088.99  143.004  2919.96  137.859  220.018   5.1182  213.923   5.0746 6.095444 7.207430 
1 1 1   16    2   28 o  167.440   3.9722  1800.16   84.183  1921.12  117.325  1671.81  120.859  173.322   5.3304  161.558   5.8908 11.76402 7.944487 
1 1 1   16    2   29 o   45.185   10.591  131.026   74.165  190.353  104.364   70.499  105.413   52.015   14.984   38.355   14.971 13.66017 21.18134 
1 1 1   16    2   30 o   26.522   12.771 -166.5099  127.234 -166.5099  127.234   0.0000   0.0000   26.522   12.771  ?   ?       ?      ? 
1 1 1   16    2   31 o   93.670   7.8218  601.429   87.533  605.540  107.642  593.404  150.399   95.324   8.8920   92.017   12.871 3.307190 15.64356 
1 1 1   16    2   32 o   75.819   13.082  499.783  126.352  390.767  199.291  573.057  163.388   65.369   21.091   86.270   15.483 -20.90030 26.16396 
1 1 1   16    4    0 o  961.403   7.6017 58763.43  928.033 59231.46  1321.75 58308.37  1303.31  965.174   10.784  957.631   10.717 7.542358 15.20335 
1 1 1   16    4    1 f  620.091   5.0929 24393.67  400.598 23712.16  550.939 25158.17  583.526  610.920   7.1014  629.262   7.3022 -18.34131 10.18581 
1 1 1   16    4    2 o  683.237   5.5518 29627.51  481.312 30471.36  698.149 28863.15  664.456  692.492   7.9388  673.981   7.7632 18.51117 11.10370 
1 1 1   16    4    3 o  454.364   5.5820 13113.17  322.087   0.0000   0.0000 13113.17  322.087  ?   ?   454.364   5.5820      ?      ? 
1 1 1   16    4    4 o  318.440   4.3775  6440.17  177.022  6440.17  177.022   0.0000   0.0000  318.440   4.3775  ?   ?       ?      ? 
1 1 1   16    4    5 o  104.049   3.7988  638.954   46.738  564.670   55.385  822.726   87.113   94.291   4.6253  113.806   6.0275 -19.51496 7.597653 
1 1 1   16    4    6 o  529.652   4.4503 17818.23  299.312 17986.27  426.505 17655.17  420.150  532.111   6.3117  527.192   6.2756 4.919006 8.900605 
1 1 1   16    4    7 o  615.202   5.0599 24038.93  395.238 24329.75  565.398 23761.00  552.719  618.838   7.1945  611.566   7.1168 7.272522 10.11974 
1 1 1   16    4    8 o  1210.02   9.4825 93066.20  1456.30 95029.61  2102.06 91254.04  2019.47  1222.26   13.543  1197.77   13.277 24.48438 18.96497 
1 1 1   16    4    9 o  1216.70   9.5300 94144.45  1472.39 94838.09  2097.30 93470.34  2067.56  1221.11   13.525  1212.29   13.430 8.823364 19.05993 
1 1 1   16    4   11 o  781.960   6.2908 38838.39  624.516 39434.84  896.117 38275.15  870.825  787.792   8.9573  776.129   8.8353 11.66248 12.58151 
1 1 1   16    4   12 o  600.799   4.9958 22930.33  381.165 22868.59  538.137 22992.49  539.964  599.988   7.0627  601.611   7.0676 -1.622925 9.991654 
1 1 1   16    4   13 o  619.838   5.1241 24402.82  403.272 24688.19  576.791 24129.92  564.048  623.381   7.2860  616.296   7.2069 7.084961 10.24817 
1 1 1   16    4   14 o  421.855   3.8085 11303.63  204.026 11241.67  288.070 11366.00  289.006  420.694   5.3920  423.015   5.3799 -2.320313 7.616913 
1 1 1   16    4   15 f  324.033   3.8771  6669.85  152.296  6672.54  257.060  6668.39  189.045  324.058   6.2465  324.008   4.5944 0.4977417E-01 7.754167 
1 1 1   16    4   16 o  533.974   4.5268 18126.75  306.966 18123.78  434.343 18129.71  433.889  533.930   6.4058  534.018   6.3980 -0.8807373E-01 9.053641 
1 1 1   16    4   17 o  263.643   3.0439  4391.21  101.588  4754.97  151.151  4091.52  137.196  273.540   4.3512  253.745   4.2576 19.79526 6.087726 
1 1 1   16    4   18 o   93.089   4.1584  546.112   48.884  633.471   72.864  474.609   65.920   99.800   5.7492   86.378   6.0095 13.42227 8.316709 
1 1 1   16    4   19 o  564.692   4.7704 20294.68  342.006 20525.22  490.275 20076.15  477.325  567.803   6.7993  561.580   6.6931 6.222839 9.540837 
1 1 1   16    4   20 o  125.999   3.5425  1004.22   56.311  853.220   76.843  1179.36   82.758  115.815   5.2247  136.182   4.7853 -20.36722 7.084948 
1 1 1   16    4   21 o   61.441   7.1122  255.424   51.516  358.182   72.967  153.296   72.742   74.939   7.6673   47.943   11.981 26.99551 14.22445 
1 1 1   16    4   22 o  318.768   3.3593  6457.01  135.876  6660.79  197.109  6272.49  187.562  323.548   4.7972  313.988   4.7039 9.559967 6.718605 
1 1 1   16    4   23 o  436.407   4.0073 12133.31  222.061 12189.62  316.608 12078.79  311.537  437.395   5.6999  435.419   5.6341 1.975830 8.014514 
1 1 1   16    4   24 o  469.984   6.2090 14089.90  370.578 14089.90  370.578   0.0000   0.0000  469.984   6.2090  ?   ?       ?      ? 
1 1 1   16    4   25 o  120.555   4.6970  935.812   71.293  1008.97   97.320  851.082  104.736  125.738   6.0948  115.372   7.1485 10.36556 9.394031 
1 1 1   16    4   26 o  163.392   3.7982  1704.19   78.741  1731.02  109.625  1675.59  113.175  164.740   5.2400  162.044   5.4997 2.695618 7.596338 
1 1 1   16    4   27 o  106.706   5.3121  731.982   71.890  739.744   99.482  723.498  104.005  107.333   7.2985  106.078   7.7206 1.255432 10.62428 
1 1 1   16    4   28 o   97.216   5.8577  625.087   70.586  698.586   94.116  530.598  106.712  104.135   7.1169   90.296   9.3061 13.83891 11.71550 
1 1 1   16    4   29 o   53.433   10.727  198.525   77.624  266.256  115.471  142.682  104.849   60.972   15.013   45.893   15.326 15.07961 21.45406 
1 1 1   16    4   30 o  110.267   9.3654  854.107  126.166  792.744  202.929  892.772  161.083  105.572   15.136  114.962   11.034 -9.389839 18.73085 
1 1 1   16    4   31 o   57.020   13.649  269.332  125.926  145.886  196.218  355.778  164.201   48.168   19.852   65.872   18.737 -17.70405 27.29775 
1 1 1   16    6    0 f  1055.90   8.3329 70770.57  1115.87 73355.63  1630.06 68490.79  1530.78  1073.99   11.952  1037.81   11.615 36.17834 16.66571 
1 1 1   16    6    1 o  1023.67   8.0800 66615.34  1050.19 67530.91  1502.89 65741.65  1468.11  1030.54   11.484  1016.81   11.370 13.72913 16.15996 
1 1 1   16    6    2 o  400.791   3.7081 10203.81  188.633 10238.55  262.811 10166.90  270.908  401.497   5.1545  400.086   5.3320 1.411346 7.416125 
1 1 1   16    6    3 o  138.797   3.2999  1224.75   57.820  1235.17   77.834  1211.91   86.371  139.458   4.3949  138.135   4.9236 1.323334 6.599788 
1 1 1   16    6    4 o  919.259   8.8876 54296.30  993.886 55745.80  1247.90 51781.86  1643.58  936.440   10.494  902.078   14.347 34.36261 17.77523 
1 1 1   16    6    5 o  923.535   7.3321 54213.20  859.869 53924.39  1208.45 54509.38  1223.77  921.048   10.332  926.023   10.406 -4.975159 14.66410 
1 1 1   16    6    6 o   84.533   4.8440  453.869   50.838  453.624   65.343  454.246   80.920   84.508   6.0887   84.558   7.5357 -0.4990387E-01 9.688090 
1 1 1   16    6    7 o  526.242   4.4777 17567.74  298.909 17135.54  411.360 18051.21  435.079  519.397   6.2366  533.088   6.4268 -13.69098 8.955326 
1 1 1   16    6    8 f  1297.16   10.157 107034.30  1673.15 107075.40  2366.96 106993.20  2365.43  1297.40   14.366  1296.91   14.362 0.4975586 20.31405 
1 1 1   16    6    9 o  718.593   5.8390 32784.97  532.547 32149.00  738.531 33473.84  768.640  711.343   8.1755  725.843   8.3388 -14.50024 11.67791 
1 1 1   16    6   10 o  1460.25   11.412 135695.20  2115.88 134146.50  2957.78 137318.30  3028.05  1451.74   16.044  1468.76   16.234 -17.01965 22.82429 
1 1 1   16    6   11 o  733.714   5.9597 34116.27  554.222 32850.93  755.810 35587.98  815.122  719.045   8.2771  748.382   8.5767 -29.33691 11.91935 
1 1 1   16    6   12 o  528.626   4.5104 17736.62  302.615 17338.66  419.346 18169.04  437.132  522.446   6.3205  534.806   6.4363 -12.35999 9.020826 
1 1 1   16    6   13 o  161.607   3.1397  1657.36   64.178  1643.57   86.794  1674.00   95.328  160.868   4.2486  162.347   4.6238 -1.478821 6.279327 
1 1 1   16    6   14 o  565.820   4.7619 20345.98  342.156 20491.56  486.095 20203.04  481.698  567.826   6.7411  563.815   6.7276 4.010620 9.523797 
1 1 1   16    6   15 o  817.580   6.5892 42524.74  683.673 43576.51  989.045 41562.31  946.104  827.229   9.4148  807.932   9.2212 19.29700 13.17836 
1 1 1   16    6   16 o  300.137   3.1888  5720.70  121.486  5866.03  175.095  5585.80  168.697  303.808   4.5383  296.466   4.4808 7.342194 6.377628 
1 1 1   16    6   17 o  176.007   2.9892  1962.65   66.690  2134.47   97.193  1809.79   91.677  183.265   4.1762  168.748   4.2780 14.51665 5.978448 
1 1 1   16    6   18 o  227.274   2.9290  3282.89   84.535  3259.66  119.100  3306.48  120.007  226.464   4.1413  228.085   4.1432 -1.620499 5.857993 
1 1 1   16    6   19 o  273.900   3.1101  4760.19  108.024  4939.83  157.970  4602.40  148.051  278.739   4.4627  269.061   4.3329 9.678223 6.220148 
1 1 1   16    6   20 o   82.778   4.4199  441.027   45.965  491.299   63.226  384.671   66.943   87.857   5.6669   77.700   6.7843 10.15693 8.839716 
1 1 1   16    6   21 o  294.557   3.1952  5515.27  119.477  5373.15  166.258  5667.03  171.809  290.637   4.5046  298.476   4.5327 -7.838837 6.390360 
1 1 1   16    6   22 o  226.149   3.0613  3253.81   87.916  3280.61  124.293  3226.97  124.372  227.083   4.3101  225.215   4.3486 1.867828 6.122648 
1 1 1   16    6   23 o   70.802   6.7932  337.663   57.145  409.760   77.421  251.375   84.699   80.062   7.6148   61.543   11.252 18.51948 13.58647 
1 1 1   16    6   24 o  373.414   3.6930  8885.31  175.121  8813.30  246.439  8958.77  248.895  371.886   5.2182  374.941   5.2273 -3.054321 7.386090 
1 1 1   16    6   25 o  175.658   5.5614  2010.14   92.163  1929.77  223.733  2026.57  101.143  172.941   10.187  178.375   4.4650 -5.433609 11.12271 
1 1 1   16    6   26 o  287.800   4.3410  5307.35  134.582  5280.66  276.732  5315.62  154.023  286.763   7.5990  288.837   4.1991 -2.073700 8.682033 
1 1 1   16    6   27 o   74.436   11.067  376.823   74.830  383.927  197.319  375.629   80.871   72.651   20.496   76.222   8.3548 -3.570160 22.13382 
1 1 1   16    6   28 o   53.757   13.411  158.875  120.242  326.728  188.180   43.055  156.315   66.150   20.385   41.365   17.431 24.78513 26.82133 
1 1 1   16    6   29 o   26.537   9.4279 -466.0392  130.108 -414.0565  207.677 -499.6237  166.928   29.599   14.669   23.475   11.847 6.124355 18.85570 
1 1 1   16    6   30 o  132.718   7.9392  1184.02  130.711  1316.26  212.518  1103.55  165.776  137.730   12.150  127.706   10.222 10.02402 15.87832 
1 1 1   16    6   31 o   52.286   13.885  162.203  125.563  419.160  220.480   38.863  152.754   66.485   22.225   38.087   16.649 28.39823 27.76921 
1 1 1   16    8    0 o  258.903   3.6291  4224.94  110.783  4171.46  133.372  4343.94  198.956  256.292   4.0978  261.513   5.9908 -5.221130 7.258235 
1 1 1   16    8    1 o  718.330   6.7447 32574.55  528.205 32370.58  606.422 33215.79  1075.22  713.856   6.6894  722.804   11.714 -8.947754 13.48937 
1 1 1   16    8    2 o  531.685   5.4964 18287.32  359.539 19459.72  463.674 16519.42  569.381  553.488   6.5967  509.882   8.7934 43.60556 10.99272 
1 1 1   16    8    3 o  281.064   3.6070  4822.97  108.273  4668.13  122.428  5378.83  231.962  271.127   3.5558  291.001   6.2769 -19.87344 7.214063 
1 1 1   16    8    4 o  273.991   3.8288  4600.75  121.986  4371.10  144.081  5182.04  229.230  262.353   4.3246  285.628   6.3196 -23.27515 7.657667 
1 1 1   16    8    5 o  179.103   4.1185  2112.03   84.798  2225.31  101.959  1857.85  152.721  187.191   4.2891  171.015   7.0322 16.17625 8.236936 
1 1 1   16    8    6 o  207.430   3.8375  2600.54   82.323  2511.34   91.880  2963.63  185.369  198.863   3.6382  215.998   6.7579 -17.13536 7.675007 
1 1 1   16    8    7 o  539.555   5.7083 18362.36  364.342 18133.17  439.906 18862.96  650.152  534.291   6.4834  544.820   9.3969 -10.52826 11.41650 
1 1 1   16    8    8 o  839.355   7.8071 44433.46  711.640 44110.04  815.340 45467.85  1458.12  833.244   7.7053  845.467   13.581 -12.22363 15.61422 
1 1 1   16    8    9 o  147.167   4.4588  1449.55   58.977  1482.41   64.235  1273.06  148.840  152.787   3.3106  141.547   8.2802 11.24001 8.917507 
1 1 1   16    8   10 o  292.593   3.7810  5578.05  118.447  5704.95  135.889  5176.72  241.658  299.724   3.5701  285.461   6.6662 14.26263 7.561994 
1 1 1   16    8   11 o  851.523   7.8327 46863.04  752.119 47777.19  884.888 44483.79  1427.58  867.058   8.0364  835.988   13.447 31.06970 15.66534 
1 1 1   16    8   12 o  745.452   7.0020 35388.83  575.575 35425.91  665.762 35279.11  1145.26  746.581   7.0221  744.323   12.116 2.258057 14.00398 
1 1 1   16    8   13 o  113.583   5.4333  893.047   43.376  908.981   45.533  736.684  142.639  119.631   2.9971  107.535   10.445 12.09664 10.86663 
1 1 1   16    8   14 o  158.914   4.0083  1639.88   56.036  1653.47   60.537  1558.53  148.094  161.341   2.9546  156.487   7.4522 4.854538 8.016500 
1 1 1   16    8   15 o   84.387   8.9801  466.727   92.916  408.893  135.483  518.083  127.671   78.717   14.069   90.058   11.163 -11.34136 17.96021 
1 1 1   16    8   16 o  325.688   5.0308  6754.56  208.021  6706.15  296.846  6801.27  291.598  324.530   7.2028  326.845   7.0253 -2.315552 10.06153 
1 1 1   16    8   17 o  384.323   5.3372  9386.53  260.116  9893.45  380.451  8941.58  356.440  394.031   7.6031  374.615   7.4924 19.41531 10.67445 
1 1 1   16    8   18 o  517.075   6.4391 17067.77  422.657 17296.70  607.718 16853.29  588.214  520.403   9.1957  513.747   9.0159 6.655701 12.87817 
1 1 1   16    8   19 o  237.738   5.1355  3606.22  154.619  3569.82  226.607  3637.92  211.501  236.576   7.5427  238.900   6.9714 -2.324356 10.27092 
1 1 1   16    8   20 o  101.016   9.4999  702.628  111.807  498.182  169.729  859.356  148.607   86.244   16.089  115.788   10.106 -29.54420 18.99980 
1 1 1   16    8   21 o  274.185   4.8719  4795.39  169.576  4617.51  237.175  4981.42  242.548  268.975   6.9435  279.395   6.8360 -10.42020 9.743893 
1 1 1   16    8   22 o  146.380   7.1378  1378.03  132.423  1359.97  192.703  1394.19  182.280  145.410   10.436  147.350   9.7412 -1.939163 14.27558 
1 1 1   16    8   23 o  235.462   5.2487  3539.92  156.747  3675.61  228.797  3419.91  215.177  239.684   7.5168  231.240   7.3275 8.443741 10.49736 
1 1 1   16    8   24 o  208.902   5.7270  2798.23  151.821  2760.79  210.187  2839.07  219.531  207.473   7.9775  210.330   8.2190 -2.856552 11.45390 
1 1 1   16    8   25 o  188.243   6.1753  2285.34  147.391  2128.85  207.557  2444.54  209.339  181.652   8.9974  194.834   8.4608 -13.18138 12.35063 
1 1 1   16    8   26 o  122.552   8.2738  988.096  128.721  995.536  180.100  980.326  184.041  123.088   11.522  122.016   11.877 1.072571 16.54761 
1 1 1   16    8   27 o   81.512   12.492  464.264  122.222  565.232  203.028  406.875  153.065   87.731   18.789   75.292   16.467 12.43877 24.98405 
1 1 1   16    8   28 o   33.405   11.254 -311.1822  148.708 -816.2261  247.853 -27.1134  185.883   27.177   13.795   39.632   17.785 -12.45538 22.50804 
1 1 1   16    8   29 o   60.278   13.573  288.502  115.100  308.198  184.588  275.972  147.228   61.317   20.329   59.238   17.989 2.079056 27.14559 
1 1 1   16    8   30 o  110.811   10.158  875.774  139.136  1051.79  230.792  775.278  174.390  118.103   15.388  103.519   13.266 14.58465 20.31658 
1 1 1   16   10    0 o  335.665   7.2442  7157.69  308.797   0.0000   0.0000  7157.69  308.797  ?   ?   335.665   7.2442      ?      ? 
1 1 1   16   10    1 o  360.767   4.3035  8422.15  179.056  8649.63  214.127  7893.23  326.507  369.047   4.5689  352.487   7.2941 16.55991 8.606907 
1 1 1   16   10    2 o  646.235   6.1737 26709.89  444.440 26900.46  517.590 26174.97  867.154  650.766   6.2630  641.704   10.641 9.062195 12.34736 
1 1 1   16   10    3 o  346.413   4.1152  7682.71  159.203  7750.58  185.737  7494.78  309.088  349.347   4.1866  343.480   7.0860 5.866791 8.230401 
1 1 1   16   10    4 o  560.038   5.5004 19943.26  339.643 19959.94  392.784 19893.81  676.207  560.584   5.5174  559.491   9.5172 1.093811 11.00086 
1 1 1   16   10    5 f  487.879   4.9839 14982.94  264.487 14855.17  303.152 15390.20  541.217  483.627   4.9360  492.132   8.6599 -8.504730 9.967819 
1 1 1   16   10    6 o  452.602   4.7048 12914.48  232.073 12822.02  266.331 13206.11  473.011  449.317   4.6676  455.887   8.1703 -6.569458 9.409543 
1 1 1   16   10    7 o  659.025   6.2621 27829.49  457.674 28072.10  531.953 27138.18  897.967  664.753   6.3014  653.297   10.824 11.45508 12.52428 
1 1 1   16   10    8 o  532.771   5.3001 17960.25  307.321 17887.74  352.734 18188.71  626.121  530.661   5.2342  534.881   9.2177 -4.220215 10.60017 
1 1 1   16   10    9 o  621.953   6.0262 24056.27  399.479 23617.68  452.755 25597.77  848.808  609.673   5.8477  634.232   10.539 -24.55884 12.05232 
1 1 1   16   10   10 o  518.717   5.1795 17043.54  292.055 16981.24  335.070 17240.50  595.815  516.954   5.1040  520.481   9.0142 -3.526855 10.35891 
1 1 1   16   10   11 o  773.346   7.2447 38270.35  619.498 38421.58  718.190 37830.74  1224.50  777.102   7.2775  769.591   12.529 7.511414 14.48940 
1 1 1   16   10   12 o  491.634   5.0043 15392.74  269.157 15402.90  310.085 15361.71  542.060  492.248   4.9604  491.021   8.6930 1.227509 10.00870 
1 1 1   16   10   13 o  199.530   5.1817  2509.83  130.618  2795.92  197.237  2286.36  174.321  209.552   7.4117  189.508   7.2434 20.04364 10.36345 
1 1 1   16   10   14 o  313.862   4.9505  6271.83  197.309  6277.56  280.450  6266.23  277.645  314.000   7.0331  313.724   6.9689 0.2757874 9.901033 
1 1 1   16   10   15 o  373.003   5.3472  8868.03  253.191  8588.66  358.219  9146.93  357.915  367.109   7.6838  378.896   7.4384 -11.78677 10.69444 
1 1 1   16   10   16 o  134.242   6.3402  1144.20  107.764  1238.06  160.058  1066.37  145.749  139.243   9.0516  129.242   8.8802 10.00122 12.68031 
1 1 1   16   10   17 o  415.443   5.6550 11015.44  298.287 10893.02  424.491 11134.85  419.242  413.138   8.0909  417.747   7.9027 -4.609650 11.30993 
1 1 1   16   10   18 f  251.385   4.9781  4027.19  158.850  4140.95  228.832  3921.38  220.684  254.803   7.0719  247.966   7.0081 6.837387 9.956150 
1 1 1   16   10   19 o  375.453   5.3767  9003.43  256.325  9044.23  365.756  8964.04  359.327  376.274   7.6544  374.632   7.5528 1.642090 10.75334 
1 1 1   16   10   20 o  185.848   6.0030  2206.95  141.442  2282.20  207.309  2141.42  193.465  188.777   8.6475  182.919   8.3285 5.858612 12.00598 
1 1 1   16   10   21 o  118.016   13.895  906.501  208.243  906.501  208.243   0.0000   0.0000  118.016   13.895  ?   ?       ?      ? 
1 1 1   16   10   22 o  263.122   5.3095  4440.45  175.594  4370.38  267.013  4493.85  233.084  261.130   8.0519  265.114   6.9231 -3.984436 10.61898 
1 1 1   16   10   23 o  305.339   5.4977  5990.08  212.895  5703.37  303.345  6268.39  298.864  298.030   8.0149  312.649   7.5273 -14.61963 10.99542 
1 1 1   16   10   24 o   37.726   12.123 -80.2415  125.014 -108.6291  196.936 -61.0816  161.792   38.734   17.743   36.719   16.526 2.014404 24.24691 
1 1 1   16   10   25 o  163.734   7.2928  1769.60  149.149  1661.80  228.329  1849.83  196.982  158.845   11.319  168.622   9.1989 -9.776901 14.58562 
1 1 1   16   10   26 o   74.822   15.173  424.024  148.738  486.083  239.595  385.112  189.722   78.450   22.733   71.194   20.102 7.256470 30.34632 
1 1 1   16   10   27 o   34.612   11.632 -186.9761  130.748 -57.1144  217.760 -260.1842  163.500   40.998   18.734   28.226   13.793 12.77215 23.26447 
1 1 1   16   10   28 o  102.932   13.119  747.910  171.487   0.0000   0.0000  747.910  171.487  ?   ?   102.932   13.119      ?      ? 
1 1 1   16   12    0 o  218.380   3.9948  2985.80   99.842  2930.47  117.415  3130.27  189.723  214.801   4.3044  221.959   6.7309 -7.158173 7.989512 
1 1 1   16   12    1 o  679.969   6.4891 29289.65  485.632 29182.54  560.508 29612.16  972.575  677.708   6.5127  682.230   11.226 -4.521606 12.97816 
1 1 1   16   12    2 o  275.713   3.9278  4834.21  123.892  4840.50  146.361  4818.30  232.696  276.062   4.1749  275.364   6.6543 0.6976013 7.855540 
1 1 1   16   12    3 o   45.721   10.403   96.706   63.410   57.444   73.315  213.276  126.328   34.245   12.690   57.196   16.488 -22.95039 20.80568 
1 1 1   16   12    4 o  138.844   4.7161  1290.18   72.249  1365.73   84.938  1092.46  137.408  146.623   4.5617  131.064   8.2557 15.55925 9.432113 
1 1 1   16   12    5 o  365.742   4.2135  8495.43  169.971  8488.65  196.524  8515.57  338.613  365.542   4.2335  365.942   7.2864 -0.4001465 8.426999 
1 1 1   16   12    6 o  343.813   4.0303  7590.61  154.745  7677.10  180.662  7352.37  299.851  347.618   4.0925  340.008   6.9445 7.610596 8.060651 
1 1 1   16   12    7 o  445.256   4.6610 12671.51  229.393 12735.58  265.926 12485.18  453.477  447.658   4.6777  442.854   8.0634 4.803253 9.321984 
1 1 1   16   12    8 o  217.606   3.7582  2917.61   87.166  2843.35   98.628  3182.55  186.292  211.548   3.6712  223.663   6.5588 -12.11458 7.516352 
1 1 1   16   12    9 o  225.853   3.7781  3340.04   90.290  3422.82  103.144  3068.64  186.766  232.108   3.4993  219.598   6.6972 12.50940 7.556246 
1 1 1   16   12   10 o  188.458   4.0350  2361.48   75.026  2426.33   83.734  2097.43  168.966  195.421   3.3740  181.495   7.3309 13.92682 8.070073 
1 1 1   16   12   11 o   92.296   5.4665  485.133   45.339  463.711   48.617  628.107  125.602   85.409   4.4823   99.182   9.9720 -13.77286 10.93310 
1 1 1   16   12   12 o   97.704   5.7991  645.690   41.209  654.411   43.363  564.407  132.390  101.484   3.3647   93.924   11.099 7.560852 11.59825 
1 1 1   16   12   13 o  382.003   5.2877  9290.61  256.182  9490.23  373.474  9113.22  352.065  385.846   7.6220  378.160   7.3311 7.686371 10.57542 
1 1 1   16   12   14 o  183.083   5.5215  2150.16  127.001  2046.58  191.575  2231.37  169.634  179.059   8.4249  187.107   7.1391 -8.047852 11.04293 
1 1 1   16   12   15 o  343.833   5.1487  7531.96  224.629  7725.55  325.726  7356.40  310.190  348.023   7.3700  339.643   7.1916 8.379822 10.29739 
1 1 1   16   12   16 o  288.007   4.9917  5293.91  182.311  5249.99  264.355  5333.74  251.760  286.829   7.2575  289.185   6.8554 -2.356079 9.983391 
1 1 1   16   12   17 o  141.241   7.2540  1306.46  126.775  1145.11  195.352  1423.84  166.628  133.350   11.536  149.133   8.7982 -15.78331 14.50808 
1 1 1   16   12   18 o   92.722   10.736  571.521  122.510  536.965  181.366  600.520  166.145   89.224   16.618   96.220   13.597 -6.996559 21.47174 
1 1 1   16   12   19 o  320.609   5.4205  6557.72  219.966  6801.11  326.873  6356.29  297.372  325.955   7.8967  315.262   7.4276 10.69315 10.84100 
1 1 1   16   12   20 o  217.865   5.7556  3037.39  159.085  3224.02  230.124  2866.56  220.166  224.279   8.0797  211.451   8.1990 12.82790 11.51114 
1 1 1   16   12   21 o  173.101   6.8319  1935.65  149.778  1892.93  218.546  1973.49  205.677  171.184   10.053  175.017   9.2540 -3.832474 13.66386 
1 1 1   16   12   22 o  244.675   5.7841  3845.63  178.064  3922.11  271.980  3788.26  235.567  246.582   8.6856  242.768   7.6409 3.814255 11.56819 
1 1 1   16   12   23 o  149.600   7.5936  1486.97  141.189  1338.69  216.362  1596.95  186.329  142.464   11.959  156.737   9.3612 -14.27344 15.18721 
1 1 1   16   12   24 o   41.044   12.878 -23.0412  134.721 -101.0176  211.345   30.330  174.850   39.690   18.255   42.397   18.170 -2.706726 25.75639 
1 1 1   16   12   25 o  228.333   9.7555  3453.13  282.877   0.0000   0.0000  3453.13  282.877  ?   ?   228.333   9.7555      ?      ? 
1 1 1   16   14    0 o  318.987   4.0525  6400.29  149.112  6304.38  176.443  6639.96  278.917  314.953   4.4115  323.021   6.7994 -8.067810 8.105069 
1 1 1   16   14    1 o  283.198   4.0639  5102.18  137.067  5105.14  167.052  5096.07  239.782  283.403   4.6416  282.994   6.6721 0.4089966 8.127825 
1 1 1   16   14    2 o  311.647   4.0958  6225.24  145.694  6288.15  172.262  6067.15  273.066  314.549   4.3124  308.744   6.9645 5.804779 8.191560 
1 1 1   16   14    3 o  418.281   4.5909 11082.21  215.696 11024.53  251.600 11242.15  418.974  416.444   4.7575  420.119   7.8530 -3.674500 9.181703 
1 1 1   16   14    4 o  489.314   5.0361 15344.57  276.731 15462.45  323.812 15025.29  532.913  493.129   5.1708  485.499   8.6435 7.630737 10.07211 
1 1 1   16   14    5 o  260.013   4.0217  4256.06  122.831  4185.77  147.295  4416.56  222.563  256.609   4.5200  263.417   6.6532 -6.808167 8.043362 
1 1 1   16   14    6 o  257.182   3.8989  4196.68  112.906  4184.61  131.956  4229.64  218.137  256.596   4.0495  257.767   6.6638 -1.170959 7.797755 
1 1 1   16   14    7 o  179.694   4.0571  1998.92   81.977  1938.28   95.122  2173.98  161.616  174.619   4.2896  184.769   6.8877 -10.15012 8.114260 
1 1 1   16   14    8 o   81.049   8.0028  472.599   62.772  508.155   71.474  352.659  131.270   89.345   6.2994   72.752   14.714 16.59287 16.00560 
1 1 1   16   14    9 o  332.744   4.0471  6921.07  145.198  6812.66  165.493  7283.56  302.613  327.377   3.9806  338.111   7.0477 -10.73349 8.094211 
1 1 1   16   14   10 o  166.132   4.4200  1860.31   73.469  1931.23   82.601  1591.70  160.749  174.309   3.7316  157.954   8.0138 16.35506 8.840032 
1 1 1   16   14   11 o  417.143   4.4927 11314.19  208.385 11572.82  243.495 10606.29  402.842  426.573   4.4949  407.714   7.7804 18.85989 8.985460 
1 1 1   16   14   12 o  321.981   3.9964  6504.65  135.007  6431.23  152.305  6773.91  291.676  318.054   3.7708  325.908   7.0474 -7.854248 7.992785 
1 1 1   16   14   13 f  388.315   4.3450  9410.44  180.402  9245.37  204.794  9982.23  381.150  381.248   4.2299  395.382   7.5910 -14.13339 8.690005 
1 1 1   16   14   14 o  305.459   5.1610  5958.94  200.072  5943.05  287.894  5973.79  278.242  305.033   7.4321  305.885   7.1629 -0.8518066 10.32193 
1 1 1   16   14   15 o  136.760   8.8558  1213.64  150.764  1185.35  236.301  1233.07  195.791  135.157   13.767  138.364   11.143 -3.206390 17.71157 
1 1 1   16   14   16 o  267.260   5.9376  4587.76  200.601  4443.94  295.477  4710.73  273.215  263.235   8.8390  271.284   7.9305 -8.049103 11.87522 
1 1 1   16   14   17 o  117.890   8.8225  900.131  130.385  909.829  201.511  893.147  171.005  118.241   13.420  117.540   11.456 0.7012558 17.64499 
1 1 1   16   14   18 o  329.296   5.4457  6956.10  227.126  6849.93  332.087  7049.42  311.326  326.812   8.0016  331.780   7.3890 -4.967651 10.89143 
1 1 1   16   14   19 o  139.197   7.4680  1254.96  131.766  1153.40  183.589  1362.86  189.230  133.316   10.844  145.077   10.271 -11.76109 14.93601 
1 1 1   16   14   20 o   65.046   13.227  297.759  122.314  163.610  178.411  416.728  168.012   53.117   19.773   76.975   17.574 -23.85793 26.45431 
1 1 1   16   14   21 o  180.751   8.1584  2114.27  187.268   0.0000   0.0000  2114.27  187.268  ?   ?   180.751   8.1584      ?      ? 
1 1 1   16   16    0 o  348.780   4.3787  7751.20  175.230  7759.06  207.422  7731.63  327.477  349.294   4.6761  348.266   7.4044 1.027954 8.757402 
1 1 1   16   16    1 o  263.062   4.2041  4367.42  127.634  4315.51  151.202  4496.12  238.062  260.503   4.5705  265.620   7.0575 -5.117035 8.408200 
1 1 1   16   16    2 o  119.550   5.9676  921.200   82.446  934.238   98.422  890.531  150.953  121.115   6.3991  117.984   10.075 3.130493 11.93527 
1 1 1   16   16    3 o  141.299   5.3783  1304.00   86.894  1346.91  103.514  1201.63  159.893  145.471   5.6033  137.127   9.1818 8.344223 10.75652 
1 1 1   16   16    4 o  205.594   4.3474  2756.37  103.080  2852.98  123.568  2535.33  186.921  211.794   4.5942  199.394   7.3819 12.40034 8.694791 
1 1 1   16   16    5 o  299.230   4.1652  5765.13  142.501  5850.32  168.892  5554.64  265.487  303.300   4.3849  295.160   7.0828 8.139343 8.330307 
1 1 1   16   16    6 o  186.376   4.5830  2348.85   96.121  2538.07  115.024  1910.84  175.005  199.752   4.5344  173.000   7.9657 26.75200 9.165901 
1 1 1   16   16    7 o  309.794   4.1330  6151.32  144.441  6197.19  169.457  6029.42  276.216  312.146   4.2749  307.442   7.0747 4.703979 8.265937 
1 1 1   16   16    8 o  225.879   4.1713  3229.74  104.550  3207.73  121.099  3294.14  207.187  224.564   4.2464  227.194   7.1810 -2.630402 8.342629 
1 1 1   16   16    9 o  179.974   4.5120  2074.79   89.220  2084.19  103.117  2046.80  177.947  180.983   4.4866  178.966   7.8297 2.016449 9.024038 
1 1 1   16   16   10 f  363.753   4.3999  8257.73  173.000  8100.04  197.269  8782.93  360.015  356.790   4.3538  370.716   7.6472 -13.92508 8.799723 
1 1 1   16   16   11 o   46.236   12.243  109.664   84.198  115.765   94.234   85.511  187.495   43.364   14.529   49.108   19.710 -5.744232 24.48639 
1 1 1   16   16   12 o  515.013   5.4884 16337.53  293.934 15889.19  329.336 18093.03  651.683  499.380   5.1932  530.646   9.6706 -31.26682 10.97677 
1 1 1   16   16   13 o   95.448   8.0973  598.949   56.189  601.322   59.001  575.834  184.172   97.165   4.7816   93.731   15.473 3.434250 16.19454 
1 1 1   16   16   14 o  143.725   7.2578  1336.69  131.812  1191.04  187.060  1480.33  185.767  135.792   10.847  151.657   9.6456 -15.86511 14.51569 
1 1 1   16   16   15 o  227.590   5.7324  3323.83  165.638  3427.72  236.256  3223.40  232.289  231.104   8.0500  224.076   8.1631 7.027496 11.46470 
1 1 1   16   16   16 o  110.338   9.9947  801.585  139.662  819.285  206.129  786.563  189.893  111.332   14.580  109.345   13.675 1.986771 19.98932 
1 1 1   16   16   17 o   79.822   12.515  448.218  124.215  546.861  178.596  355.791  172.877   88.907   16.423   70.736   18.889 18.17111 25.03042 
1 1 1   16   18    0 o  184.152   5.3286  2138.09  123.764  1906.24  164.021  2444.63  188.598  172.723   7.4778  195.580   7.5934 -22.85739 10.65721 
1 1 1   16   18    1 o   66.569   10.727  309.166   88.171  351.945  110.365  233.690  146.595   73.870   11.765   59.268   17.940 14.60186 21.45319 
1 1 1   16   18    2 o  135.708   9.8375  1182.45  169.538   0.0000   0.0000  1182.45  169.538  ?   ?   135.708   9.8375      ?      ? 
1 1 1   16   18    3 o   61.279   12.626  235.914   96.984  209.667  114.950  300.751  180.670   55.849   15.605   66.709   19.854 -10.85994 25.25237 
1 1 1   16   18    4 o  406.071   4.9027  9699.12  211.550  9081.75  237.278 12091.81  467.122  377.633   4.9478  434.510   8.4655 -56.87717 9.805375 
1 1 1   16   18    5 o  217.818   5.8038  3432.50  140.024  4195.82  174.738  2062.77  234.073  256.594   5.3624  179.043   10.295 77.55046 11.60764 
1 1 1   16   18    6 o  135.290   6.7924  1145.60  104.397  1109.36  121.910  1245.27  202.164  131.724   7.2878  138.857   11.465 -7.133408 13.58488 
1 1 1   16   18    7 o  101.142   7.9809  681.859   88.141  704.232  102.435  618.054  172.988  104.897   7.6896   97.387   13.987 7.510452 15.96178 
1 1 1   16   18    8 o  252.383   4.4101  3996.93  126.397  3913.51  147.871  4223.21  243.541  247.876   4.6976  256.891   7.4653 -9.014389 8.820296 
1 1 1   16   18    9 o  248.393   4.4112  3952.97  121.429  3966.15  140.934  3915.00  239.229  249.554   4.4470  247.231   7.6196 2.323517 8.822398 
1 1 1   16   18   10 o   79.688   9.9477  388.161   79.001  365.380   87.639  486.943  182.494   75.340   9.1599   84.036   17.661 -8.695694 19.89538 
1 1 1   16   18   11 o  171.008   5.4160  1950.36   95.377  2007.07  108.042  1750.10  203.022  177.416   4.7954  164.600   9.7126 12.81633 10.83194 
1 1 1   16   18   12 o  269.622   4.4216  4761.83  123.733  4846.25  140.093  4462.40  263.846  275.816   3.9996  263.429   7.8870 12.38663 8.843138 
1 1 1   16   18   13 o   31.088   10.013 -10.4446   55.825  -4.3642   58.992 -62.5670  172.717   24.282   10.482   37.894   17.063 -13.61175 20.02518 
1 1 1   16   18   14 o  182.861   3.7465  2131.47   87.001  2131.47   87.001   0.0000   0.0000  182.861   3.7465  ?   ?       ?      ? 
1 1 1   16   20    0 o  100.076   8.3614  612.869  102.462  511.103  126.072  810.883  175.859   88.707   11.191  111.444   12.426 -22.73618 16.72275 
1 1 1   16   20    1 o   52.597   11.889  183.522  102.091  280.996  124.667 -14.9337  177.884   63.888   15.520   41.306   18.014 22.58143 23.77728 
1 1 1   16   20    2 o  183.090   5.4641  2197.81  115.457  2265.93  138.395  2041.87  209.396  188.307   5.7873  177.873   9.2700 10.43396 10.92822 
1 1 1   16   20    3 o   44.922   12.570   88.004   99.875   96.797  118.492   66.430  185.608   42.919   16.087   46.925   19.320 -4.006016 25.14056 
1 1 1   16   20    4 o  158.930   5.8323  1611.16  108.700  1587.08  130.308  1666.23  197.100  157.410   6.5187  160.451   9.6731 -3.041611 11.66458 
1 1 1   16   20    5 o  285.858   4.5739  5216.08  152.571  5185.23  182.545  5287.58  277.889  284.971   5.0442  286.745   7.6313 -1.774200 9.147703 
1 1 1   16   20    6 o  108.752   8.2520  807.523   97.587  842.651  113.671  709.069  190.301  114.374   7.8261  103.131   14.530 11.24322 16.50396 
1 1 1   16   20    7 o  265.293   4.6816  4505.10  139.543  4488.89  162.949  4549.69  270.230  265.089   4.8404  265.497   8.0149 -0.4082031 9.363124 
1 1 1   16   20    8 o   48.269   12.370  145.125   91.446  165.044  104.284   78.831  190.244   49.180   15.178   47.357   19.536 1.822578 24.73915 
1 1 1   16   20    9 o  161.493   6.4921  1803.45  118.219  1957.96  142.148  1456.84  212.901  174.471   6.4156  148.514   11.288 25.95752 12.98415 
1 1 1   16   22    0 o  237.766   6.2376  3439.99  178.391  2926.90  214.483  4591.48  321.315  211.812   7.9738  263.720   9.5942 -51.90704 12.47520 
1 1 1   16   22    1 o  281.728   5.6780  4042.34  165.729  3352.88  181.799  7433.13  403.171  227.829   6.2836  335.626   9.4592 -107.7978 11.35605 
1 1 1   16   22    2 o  257.122   5.9459  4351.77  177.854  4385.23  213.338  4275.51  322.046  260.377   6.4519  253.867   9.9893 6.509705 11.89171 
1 1 1   16   22    3 o  116.595   12.023  1153.29  131.076  1314.81  151.749  678.647  260.130  141.566   8.4409   91.625   22.517 49.94115 24.04689 
1 1 1   16   22    4 o   23.545   11.877 -492.7921  166.778 -492.7921  166.778   0.0000   0.0000   23.545   11.877  ?   ?       ?      ? 
1 1 1   16   22    5 o   30.535   14.367 -116.0299  143.109 -116.0299  143.109   0.0000   0.0000   30.535   14.367  ?   ?       ?      ? 
1 1 1   16   22    6 o   73.870   15.491  402.654  140.677  402.654  140.677   0.0000   0.0000   73.870   15.491  ?   ?       ?      ? 
1 1 1   16   22    7 f  109.770   9.3728  805.023  130.657  805.023  130.657   0.0000   0.0000  109.770   9.3728  ?   ?       ?      ? 
1 1 1   17    1    0 o  696.154   5.6273 30796.39  497.486 30823.62  704.149 30769.26  702.956  696.461   7.9614  695.847   7.9549 0.6139526 11.25455 
1 1 1   17    1    1 f  490.736   4.1707 15293.17  259.861 15083.65  363.007 15513.39  372.163  487.291   5.8661  494.181   5.9302 -6.890503 8.341361 
1 1 1   17    1    2 o  428.195   3.7488 11645.89  203.850 11686.49  288.942 11605.67  287.638  428.938   5.3044  427.453   5.2988 1.485687 7.497637 
1 1 1   17    1    3 o  818.580   6.5262 42559.12  678.063 43487.03  978.388 41701.54  940.581  827.151   9.3143  810.008   9.1439 17.14362 13.05242 
1 1 1   17    1    4 o  332.784   3.1580  6999.12  133.079  6589.19  180.080  7492.37  197.535  322.102   4.4024  343.467   4.5288 -21.36435 6.315954 
1 1 1   17    1    5 o  1158.38   9.0756 85359.63  1335.07 85344.19  1887.30 85375.11  1888.84  1158.28   12.831  1158.48   12.839 -0.2084961 18.15117 
1 1 1   17    1    6 o  363.704   3.3392  8401.25  154.227  8369.99  217.468  8432.89  218.758  363.024   4.7172  364.385   4.7274 -1.361298 6.678356 
1 1 1   17    1    7 o  464.544   3.9919 13702.13  235.441 13935.79  337.559 13480.78  328.551  468.399   5.6749  460.690   5.6158 7.708466 7.983852 
1 1 1   17    1    8 o  619.541   5.0768 24378.22  399.348 24708.46  571.736 24063.62  558.040  623.635   7.2192  615.447   7.1400 8.187988 10.15361 
1 1 1   17    1    9 o  838.468   6.6796 44667.78  711.107 45215.48  1017.30 44144.44  994.409  843.489   9.4971  833.447   9.3953 10.04218 13.35911 
1 1 1   17    1   10 o  1256.85   19.703 100649.50  3144.83 100649.50  3144.83   0.0000   0.0000  1256.85   19.703  ?   ?       ?      ? 
1 1 1   17    1   11 o  630.607   5.1896 25247.47  415.414 25756.76  598.335 24773.53  577.202  636.741   7.3995  624.474   7.2784 12.26654 10.37922 
1 1 1   17    1   12 o  1112.11   10.735 78501.72  1424.72 78126.83  1737.41 79271.33  2489.33  1108.46   12.343  1115.75   17.569 -7.286743 21.47078 
1 1 1   17    1   13 o  1602.99   12.481 163591.41  2540.14 165968.00  3643.64 161344.20  3543.08  1614.28   17.774  1591.70   17.528 22.57898 24.96301 
1 1 1   17    1   14 o  1130.85   8.8863 81332.13  1276.08 80795.30  1792.97 81883.18  1816.58  1127.07   12.527  1134.62   12.607 -7.550171 17.77264 
1 1 1   17    1   15 o  715.933   5.8035 32536.08  527.144 33472.43  765.812 31692.89  726.713  725.701   8.3097  706.164   8.1036 19.53723 11.60691 
1 1 1   17    1   16 f  337.715   4.1018  7226.30  165.916  7183.69  202.994  7312.06  287.973  336.265   4.7536  339.165   6.6860 -2.900696 8.203587 
1 1 1   17    1   17 o  101.008   5.3850  623.001   63.947  718.466  118.340  583.629   75.999  106.215   8.7733   95.801   6.2468 10.41470 10.77006 
1 1 1   17    1   18 o  507.827   4.3698 16394.79  281.684 16727.93  405.739 16084.82  391.371  512.797   6.2305  502.858   6.1287 9.938751 8.739557 
1 1 1   17    1   19 o  276.184   3.1491  4844.06  110.374  4966.76  159.689  4731.81  152.727  279.527   4.4986  272.841   4.4079 6.685486 6.298128 
1 1 1   17    1   20 o  241.270   3.1516  3688.19   96.398  3946.37  141.258  3463.15  131.879  249.145   4.4646  233.394   4.4495 15.75032 6.303199 
1 1 1   17    1   21 o   48.548   8.7137  157.340   54.180  182.705   76.270  131.501   76.980   52.361   11.758   44.734   12.863 7.627083 17.42735 
1 1 1   17    1   22 o  267.832   3.2397  4562.89  110.171  4444.35  155.204  4683.27  156.414  264.322   4.6237  271.342   4.5392 -7.020538 6.479455 
1 1 1   17    1   23 o  427.212   3.9405 11614.15  213.665 11289.29  296.211 11966.52  308.497  420.998   5.5404  433.426   5.6048 -12.42783 7.880991 
1 1 1   17    1   24 o   94.065   6.6231  563.732   78.817  524.490  105.984  612.288  117.892   90.441   9.2278   97.689   9.5031 -7.248077 13.24615 
1 1 1   17    1   25 o  278.869   3.5790  4952.87  126.720  4868.71  176.922  5041.52  181.588  276.441   5.0397  281.296   5.0833 -4.855042 7.158077 
1 1 1   17    1   26 o  251.577   3.4857  4033.99  111.362  4029.28  157.408  4038.70  157.571  251.430   4.9298  251.724   4.9292 -0.2939758 6.971362 
1 1 1   17    1   27 o  164.514   4.1472  1730.08   86.632  1693.68  121.939  1767.18  123.103  162.760   5.8995  166.267   5.8302 -3.507248 8.294324 
1 1 1   17    1   28 o  235.629   3.5636  3548.97  106.609  3658.36  151.675  3442.15  149.876  239.232   4.9925  232.026   5.0865 7.206406 7.127223 
1 1 1   17    1   29 o   60.770   9.4959  255.097   80.647   73.806  112.050  449.945  116.165   39.231   15.401   82.309   11.113 -43.07864 18.99182 
1 1 1   17    1   30 o   99.197   7.2603  657.991   91.146  724.610  129.850  593.287  127.970  104.371   9.7968   94.022   10.718 10.34959 14.52058 
1 1 1   17    1   31 o  141.671   4.7867  1314.85   85.778  1457.22  122.040  1175.86  120.590  149.465   6.4296  133.877   7.0929 15.58791 9.573400 
1 1 1   17    3    0 o  749.175   6.0252 35668.77  573.238 35674.33  810.652 35663.21  810.709  749.234   8.5200  749.117   8.5219 0.1169434 12.05046 
1 1 1   17    3    1 o  1200.80   9.4031 91668.08  1432.97 93793.60  2072.38 89720.78  1983.59  1214.10   13.441  1187.50   13.153 26.59961 18.80630 
1 1 1   17    3    2 o  619.521   5.0775 24374.74  399.352 23998.87  556.603 24773.50  573.306  614.603   7.1314  624.438   7.2297 -9.835266 10.15504 
1 1 1   17    3    3 o  924.639   7.3227 54351.88  859.835 54218.01  1212.85 54487.13  1219.15  923.496   10.342  925.782   10.370 -2.286072 14.64533 
1 1 1   17    3    4 o  503.100   5.2029 16126.12  314.847 15940.63  538.641 16222.39  388.039  500.846   8.4687  505.353   6.0465 -4.506378 10.40571 
1 1 1   17    3    5 o  282.689   2.9304  5073.30  105.180  5201.10  150.316  4950.71  147.225  286.176   4.1361  279.202   4.1523 6.973907 5.860800 
1 1 1   17    3    6 o  499.107   5.1879 15775.37  309.050 15677.52  376.782 15976.57  540.272  496.799   5.9722  501.415   8.4847 -4.616608 10.37579 
1 1 1   17    3    7 o  863.917   6.8700 47432.13  753.652 47051.54  1057.44 47825.05  1074.41  860.398   9.6778  867.435   9.7534 -7.036926 13.74006 
1 1 1   17    3    8 o  586.585   4.8524 21855.13  361.433 21647.91  506.982 22069.28  515.409  583.760   6.8388  589.411   6.8858 -5.652039 9.704845 
1 1 1   17    3    9 o  281.430   2.9772  5029.00  106.388  5141.89  151.473  4919.09  149.459  284.546   4.1918  278.313   4.2287 6.233307 5.954306 
1 1 1   17    3   10 o  753.859   6.0752 36100.37  581.504 35684.50  813.151 36535.66  831.912  749.419   8.5441  758.299   8.6389 -8.879395 12.15044 
1 1 1   17    3   11 o  210.863   3.0173  2801.59   80.479  3128.22  120.025  2534.79  108.477  221.942   4.2585  199.785   4.2756 22.15765 6.034518 
1 1 1   17    3   12 o  851.545   6.7999 46083.39  735.341 46139.21  1041.50 46027.91  1038.36  852.059   9.6253  851.032   9.6079 1.026917 13.59987 
1 1 1   17    3   13 o  565.272   4.7378 20298.04  340.095 20355.95  482.774 20240.98  479.179  566.072   6.7157  564.472   6.6846 1.599670 9.475525 
1 1 1   17    3   14 o  716.135   7.1319 32280.56  604.365 31729.87  729.140 33489.44  1080.31  706.625   8.1254  725.644   11.723 -19.01923 14.26379 
1 1 1   17    3   15 o  241.835   3.0230  3707.57   92.701  3840.80  135.637  3590.79  126.987  245.903   4.3435  237.767   4.2056 8.135437 6.045912 
1 1 1   17    3   16 o  418.345   3.7875 11035.40  200.217 11985.49  302.138 10291.54  267.342  434.266   5.4786  402.425   5.2312 31.84030 7.575050 
1 1 1   17    3   17 o  620.776   5.1419 24520.08  405.278 24809.25  579.956 24244.10  566.578  624.344   7.3147  617.209   7.2285 7.135193 10.28376 
1 1 1   17    3   18 o   84.345   4.7989  453.330   51.260  444.546   74.925  461.059   70.283   83.568   7.0601   85.122   6.5017 -1.554230 9.597786 
1 1 1   17    3   19 o   79.215   5.2465  400.864   52.504  387.099   77.557  412.509   71.335   77.942   7.8356   80.489   6.9790 -2.546738 10.49298 
1 1 1   17    3   20 o  381.131   3.6184  9236.24  175.061  9349.65  251.807  9130.14  243.546  383.388   5.1719  378.875   5.0618 4.513031 7.236789 
1 1 1   17    3   21 o  334.272   3.4011  7107.53  144.353  7107.76  205.937  7107.31  202.402  334.272   4.8513  334.272   4.7680 0.2441406E-03 6.802131 
1 1 1   17    3   22 o  257.027   4.0616  4207.79  124.292  4208.55  151.434  4206.21  217.575  257.198   4.6364  256.857   6.6702 0.3403931 8.123267 
1 1 1   17    3   23 o  233.875   4.5793  3546.75  120.936  3360.52  228.821  3618.93  142.458  229.298   7.8581  238.453   4.7044 -9.155502 9.158697 
1 1 1   17    3   25 o  324.306   3.5614  6700.41  146.656  6768.68  209.386  6634.67  205.474  325.922   5.0589  322.690   5.0141 3.232452 7.122759 
1 1 1   17    3   26 o  173.564   5.3741  1922.01  118.451  1922.01  118.451   0.0000   0.0000  173.564   5.3741  ?   ?       ?      ? 
1 1 1   17    3   27 o  352.779   3.6679  7947.92  164.321  7897.61  231.814  7998.71  232.960  351.655   5.1909  353.902   5.1835 -2.246643 7.335814 
1 1 1   17    3   28 o  226.745   3.5430  3286.71  101.957  3238.43  141.303  3339.14  147.260  225.031   4.9446  228.459   5.0757 -3.428650 7.086071 
1 1 1   17    3   29 o  103.975   7.1550  715.989   93.867  726.229  126.451  703.420  140.089  105.057   9.4781  102.892   10.721 2.165131 14.31007 
1 1 1   17    3   30 o  115.240   9.0996  863.342  127.301  1114.23  223.396  742.697  154.915  126.071   13.954  104.409   11.684 21.66140 18.19911 
1 1 1   17    3   31 o  121.406   8.5999  1042.22  129.985  976.143  199.706  1090.79  171.218  116.735   13.471  126.077   10.694 -9.341080 17.19990 
1 1 1   17    5    0 o  536.407   4.5376 18258.17  308.907 18848.51  446.644 17716.87  427.693  544.708   6.4568  528.106   6.3772 16.60205 9.075243 
1 1 1   17    5    1 o  156.840   4.1651  1562.22   82.958  1562.22   82.958   0.0000   0.0000  156.840   4.1651  ?   ?       ?      ? 
1 1 1   17    5    2 f  396.024   5.0702  9961.23  254.990  9961.23  254.990   0.0000   0.0000  396.024   5.0702  ?   ?       ?      ? 
1 1 1   17    5    3 o  355.316   3.3856  8007.43  152.659  8384.86  220.517  7660.08  211.547  363.345   4.7791  347.286   4.7967 16.05878 6.771114 
1 1 1   17    5    4 o  879.567   6.9941 49105.52  780.370 47775.03  1073.70 50595.32  1136.17  866.969   9.7522  892.165   10.028 -25.19653 13.98815 
1 1 1   17    5    5 o  324.034   3.9674  6687.42  153.215  6722.33  187.063  6616.27  267.057  325.341   4.5276  322.728   6.5162 2.613831 7.934715 
1 1 1   17    5    6 o  439.458   3.8738 12261.99  216.148 12499.58  309.275 12035.14  302.208  443.617   5.4898  435.298   5.4669 8.319153 7.747586 
1 1 1   17    5    7 o  114.125   3.5853  825.234   51.893  772.127   71.545  884.187   75.381  110.260   5.1096  117.991   5.0308 -7.730545 7.170539 
1 1 1   17    5    8 o  768.549   6.1859 37512.68  603.546 38171.85  867.152 36893.33  840.555  775.091   8.8098  762.007   8.6862 13.08380 12.37183 
1 1 1   17    5    9 o  475.454   4.1698 14335.60  251.496 13890.62  346.028 14833.88  366.163  467.648   5.8266  483.261   5.9664 -15.61362 8.339512 
1 1 1   17    5   10 o  1297.28   10.160 106952.10  1672.47 104475.10  2309.91 109681.50  2424.73  1281.54   14.193  1313.02   14.542 -31.48352 20.32019 
1 1 1   17    5   11 o  460.115   4.0762 13443.44  238.150 13680.94  339.971 13214.61  333.705  464.104   5.7683  456.126   5.7610 7.978088 8.152482 
1 1 1   17    5   12 f  664.774   5.4484 28072.99  459.908 28383.98  656.546 27773.37  644.439  668.387   7.7350  661.162   7.6753 7.225403 10.89681 
1 1 1   17    5   13 o  866.049   6.9186 47679.92  760.913 47593.55  1074.35 47766.85  1077.84  865.262   9.7773  866.835   9.7913 -1.572510 13.83715 
1 1 1   17    5   14 o  1267.04   9.9511 102261.30  1600.72 103763.60  2296.97 100842.80  2231.95  1276.05   14.175  1258.02   13.971 18.02307 19.90223 
1 1 1   17    5   15 o  540.704   4.5830 18579.19  314.597 18287.72  438.358 18888.75  451.759  536.338   6.4360  545.070   6.5264 -8.732666 9.166022 
1 1 1   17    5   16 o  512.287   5.3682 16618.36  328.797 16450.63  401.187 16961.49  573.821  508.579   6.2117  515.996   8.7569 -7.416168 10.73635 
1 1 1   17    5   17 o  353.604   3.4166  7943.14  153.353  8120.52  220.944  7778.26  213.020  357.408   4.8679  349.801   4.7954 7.607056 6.833147 
1 1 1   17    5   18 o  414.530   3.7916 10928.81  199.593 10853.82  282.704 11003.34  281.832  413.109   5.3888  415.951   5.3354 -2.842438 7.583263 
1 1 1   17    5   19 o  368.935   3.5305  8647.49  165.292  8889.46  239.314  8426.75  228.573  373.859   5.0406  364.011   4.9446 9.848755 7.060949 
1 1 1   17    5   20 o  244.594   3.0977  3803.09   96.157  3831.89  138.735  3776.47  133.395  245.479   4.4503  243.709   4.3101 1.770569 6.195381 
1 1 1   17    5   21 o  271.700   3.1607  4676.66  108.822  4993.40  160.424  4406.69  148.107  280.184   4.5087  263.217   4.4308 16.96686 6.321421 
1 1 1   17    5   22 o  159.538   3.4146  1619.67   69.172  1653.78   98.530  1586.52   97.132  161.195   4.8133  157.880   4.8446 3.314484 6.829175 
1 1 1   17    5   23 o  535.554   4.6812 18303.98  318.368 18196.88  449.925 18411.38  450.557  533.979   6.6350  537.128   6.6053 -3.150024 9.362318 
1 1 1   17    5   24 o  120.587   4.4871  929.023   68.572  856.024   96.556  1003.30   97.400  115.781   6.5669  125.393   6.1166 -9.612068 8.974231 
1 1 1   17    5   25 o  251.378   3.3331  4025.92  106.387  4121.31  150.964  3931.81  149.949  254.343   4.6738  248.413   4.7532 5.930603 6.666196 
1 1 1   17    5   26 o  121.323   4.3431  939.132   66.789  906.320   91.148  977.177   98.148  119.056   6.0286  123.590   6.2535 -4.533730 8.686220 
1 1 1   17    5   27 o   71.828   6.6971  328.663   59.831  305.226   76.151  366.469   96.717   68.667   8.7327   74.989   10.156 -6.322281 13.39420 
1 1 1   17    5   28 o  158.229   5.1874  1640.76   90.822  1664.01  105.715  1575.23  177.466  161.134   5.1662  155.324   8.9970 5.809998 10.37477 
1 1 1   17    5   29 o   80.984   9.3153  556.121  141.787 -507.1061  236.741  1150.81  177.054   30.737   15.305  131.230   10.624 -100.4927 18.63065 
1 1 1   17    5   30 o  121.868   8.6944  1048.37  128.417  958.989  209.118  1102.48  162.710  115.875   14.211  127.860   10.021 -11.98495 17.38871 
1 1 1   17    5   31 o  125.808   8.8907  1143.85  137.581  1070.71  217.696  1192.49  177.529  120.426   14.235  131.191   10.656 -10.76469 17.78139 
1 1 1   17    7    1 o  1221.43   9.5811 94905.89  1486.15 94951.87  2099.58 94859.72  2103.90  1221.73   13.533  1221.13   13.567 0.5987549 19.16229 
1 1 1   17    7    2 o  896.365   7.1518 51048.12  813.786 50378.55  1132.46 51763.06  1170.20  890.298   10.016  902.432   10.211 -12.13330 14.30358 
1 1 1   17    7    3 o  988.185   9.5561 62456.98  1141.74 60972.92  1925.77 63261.37  1417.79  978.814   15.493  997.556   11.192 -18.74200 19.11223 
1 1 1   17    7    4 o  621.545   5.1610 24529.04  407.147 24180.41  565.065 24905.46  587.157  616.958   7.2122  626.132   7.3843 -9.174255 10.32200 
1 1 1   17    7    5 o  533.949   4.5872 18111.10  311.002 18221.64  436.915 17997.56  442.790  535.602   6.4236  532.295   6.5504 3.307312 9.174425 
1 1 1   17    7    6 o  675.336   7.8291 28975.36  671.445 28975.36  671.445   0.0000   0.0000  675.336   7.8291  ?   ?       ?      ? 
1 1 1   17    7    7 o  1081.07   8.5319 74258.45  1170.79 75818.93  1687.16 72808.98  1626.03  1092.01   12.166  1070.14   11.965 21.87231 17.06382 
1 1 1   17    7    8 o  1380.77   10.805 121319.00  1894.57 120960.50  2669.22 121683.00  2689.54  1378.72   15.245  1382.81   15.316 -4.097778 21.60984 
1 1 1   17    7    9 o  1016.50   8.0554 65676.36  1039.70 66492.81  1486.11 64893.64  1455.09  1022.68   11.443  1010.32   11.341 12.36163 16.11077 
1 1 1   17    7   10 o  650.477   5.3808 26841.80  443.928 26114.50  609.815 27661.76  647.496  641.123   7.4899  659.831   7.7273 -18.70734 10.76151 
1 1 1   17    7   11 o  457.211   4.0825 13277.75  237.026 13477.52  336.469 13080.96  333.955  460.625   5.7520  453.797   5.7949 6.828644 8.164986 
1 1 1   17    7   12 o  330.775   3.3913  6868.12  141.432  6298.27  186.818  7633.24  216.473  314.893   4.6717  346.657   4.9173 -31.76328 6.782691 
1 1 1   17    7   13 o  693.310   5.6892 30530.02  500.418 29728.36  689.540 31422.07  727.370  683.721   7.9415  702.899   8.1486 -19.17853 11.37839 
1 1 1   17    7   14 o  481.896   4.2145 14764.12  257.913 14868.50  365.603 14660.71  363.892  483.592   5.9532  480.200   5.9672 3.392334 8.429046 
1 1 1   17    7   15 o  325.604   3.3201  6718.29  137.059  6384.69  187.401  7101.95  200.969  316.942   4.6560  334.266   4.7344 -17.32343 6.640222 
1 1 1   17    7   16 o  408.103   3.7802 10581.97  195.804 10338.68  271.456 10845.83  282.705  403.222   5.3012  412.984   5.3904 -9.761322 7.560410 
1 1 1   17    7   17 o  538.894   4.6402 18449.14  317.097 17835.31  434.558 19148.21  463.749  529.346   6.4644  548.443   6.6585 -19.09680 9.280301 
1 1 1   17    7   18 o  524.446   5.5769 17531.83  349.265 17523.43  426.704 17548.90  607.968  524.622   6.4047  524.271   9.1316 0.3515015 11.15380 
1 1 1   17    7   19 o  379.986   3.6390  9161.81  175.304  9604.76  257.224  8777.62  239.553  388.530   5.2133  371.443   5.0785 17.08670 7.277977 
1 1 1   17    7   20 o  138.272   3.1919  1224.20   55.677  1327.97   76.803  1109.26   80.830  144.506   4.1852  132.038   4.8205 12.46751 6.383818 
1 1 1   17    7   21 o   55.928   5.6244  192.888   38.032  178.452   46.357  222.610   66.517   52.884   6.9027   58.971   8.8820 -6.087448 11.24890 
1 1 1   17    7   22 o   29.229   13.935 -389.3623   44.064 -182.2968  143.383 -410.9576   46.305   29.229   13.935  ?   ?       ?      ? 
1 1 1   17    7   23 o  221.616   4.5968  2983.94  107.252  3412.17  235.570  2871.96  120.462  230.837   8.0359  212.396   4.4661 18.44080 9.193593 
1 1 1   17    7   24 o   83.199   12.354  445.989  128.454  653.217  203.251  308.170  165.754   99.505   16.085   66.894   18.755 32.61123 24.70784 
1 1 1   17    7   25 o  145.695   7.7947  1396.14  140.980  1284.79  218.644  1475.38  184.443  140.267   12.274  151.122   9.6107 -10.85454 15.58938 
1 1 1   17    7   26 o  181.730   6.0893  2135.42  140.444  2231.20  199.437  2041.19  197.807  185.833   8.4509  177.627   8.7691 8.206268 12.17852 
1 1 1   17    7   27 o  168.040   6.0996  1836.18  130.050  1812.85  179.731  1861.82  188.412  166.990   8.4753  169.089   8.7744 -2.099243 12.19918 
1 1 1   17    7   28 f  254.057   6.1404  4027.50  192.160  5131.25  323.691  3426.81  238.791  279.186   9.1298  228.929   8.2137 50.25687 12.28077 
1 1 1   17    7   29 o  152.952   7.2407  1588.99  138.135  1494.02  212.034  1659.02  182.076  148.008   11.281  157.896   9.0804 -9.887756 14.48141 
1 1 1   17    7   30 o   84.540   12.649  541.030  125.732  697.137  220.066  465.377  153.197   91.587   19.518   77.492   16.094 14.09562 25.29721 
1 1 1   17    9    0 o  355.796   4.1884  7845.57  162.585  7667.32  185.999  8422.88  334.736  347.466   4.2152  364.126   7.2389 -16.66003 8.376732 
1 1 1   17    9    1 o  131.446   4.9663  1027.14   74.802  944.463   86.967  1262.21  146.641  121.943   5.6159  140.949   8.1925 -19.00555 9.932579 
1 1 1   17    9    2 o  148.310   4.8974  1487.35   75.670  1563.78   86.577  1240.04  155.738  156.920   4.3446  139.700   8.7785 17.22014 9.794780 
1 1 1   17    9    3 o  612.773   5.9474 23593.41  395.664 23353.02  452.929 24367.86  812.946  606.358   5.8820  619.188   10.339 -12.83038 11.89471 
1 1 1   17    9    4 o  385.951   4.3471  9776.84  189.028 10178.42  223.600  8770.96  353.883  400.338   4.3981  371.564   7.4998 28.77390 8.694262 
1 1 1   17    9    5 o  481.072   4.9310 14953.35  263.527 15231.62  307.366 14181.20  512.002  489.721   4.9423  472.424   8.5342 17.29703 9.861979 
1 1 1   17    9    6 o  282.803   4.0318  5098.29  132.590  5125.99  158.589  5033.97  241.669  284.102   4.3956  281.504   6.7602 2.598145 8.063624 
1 1 1   17    9    7 o  334.266   4.2620  7205.74  172.281  7472.81  215.402  6731.58  287.012  343.015   4.9449  325.518   6.9430 17.49658 8.523945 
1 1 1   17    9    8 f  515.649   5.1417 17115.99  293.570 17354.84  341.395 16438.14  575.132  522.722   5.1429  508.576   8.9050 14.14630 10.28341 
1 1 1   17    9    9 o  438.772   4.6315 12294.65  220.457 12353.48  253.208 12110.32  448.183  441.021   4.5211  436.522   8.0848 4.498383 9.263066 
1 1 1   17    9   10 o  526.994   5.2216 17697.49  301.624 17741.58  347.950 17564.19  605.000  528.458   5.1848  525.530   9.0652 2.927612 10.44321 
1 1 1   17    9   11 f  525.807   5.2298 17503.48  298.628 17430.88  342.414 17734.14  610.339  523.749   5.1481  527.864   9.1048 -4.115662 10.45950 
1 1 1   17    9   12 o  713.778   6.7347 32734.78  534.758 33032.11  622.738 31899.82  1043.55  720.616   6.8049  706.940   11.624 13.67578 13.46932 
1 1 1   17    9   13 o  292.991   3.8647  5438.54  117.581  5424.04  132.395  5492.67  255.816  292.186   3.5681  293.796   6.8565 -1.609802 7.729368 
1 1 1   17    9   14 o  539.344   6.6198 18540.68  453.221 18118.11  629.966 18994.06  652.532  532.992   9.3072  545.695   9.4162 -12.70367 13.23964 
1 1 1   17    9   15 o  459.478   5.8992 13446.54  344.053 13842.53  496.115 13079.63  477.544  465.980   8.3837  452.975   8.3016 13.00504 11.79846 
1 1 1   17    9   16 o  339.565   5.1629  7347.04  222.618  7285.87  315.995  7407.31  313.677  338.153   7.3585  340.977   7.2440 -2.824707 10.32584 
1 1 1   17    9   17 f  599.302   7.2123 22940.80  548.400 22156.90  756.003 23811.38  796.705  588.550   10.115  610.054   10.284 -21.50311 14.42453 
1 1 1   17    9   18 o  221.345   4.9663  3123.32  139.590  3176.17  198.289  3071.40  196.542  223.205   6.9955  219.485   7.0514 3.719559 9.932686 
1 1 1   17    9   19 o  109.523   8.2747  781.036  112.524  722.049  174.855  822.732  147.008  105.782   13.016  113.264   10.221 -7.482193 16.54946 
1 1 1   17    9   20 o  198.932   5.6130  2546.73  140.768  2346.70  206.582  2720.11  192.332  191.493   8.4949  206.371   7.3388 -14.87773 11.22596 
1 1 1   17    9   21 o  358.364   5.6394  8231.01  256.212  7850.18  367.060  8592.85  357.796  350.170   8.2543  366.559   7.6862 -16.38959 11.27882 
1 1 1   17    9   22 o  158.093   6.1179  1603.00  122.809  1593.87  172.064  1612.47  175.338  157.645   8.5948  158.541   8.7088 -0.8964996 12.23571 
1 1 1   17    9   23 o  256.986   5.2638  4224.88  171.656  4374.11  248.773  4089.26  237.159  261.296   7.4971  252.676   7.3909 8.619675 10.52766 
1 1 1   17    9   24 o  111.182   9.1232  807.514  128.452  853.472  190.531  769.220  173.919  113.998   13.161  108.365   12.638 5.632828 18.24649 
1 1 1   17    9   25 o  109.009   9.5047  789.333  128.856  1007.71  188.259  596.852  176.746  123.693   11.985   94.324   14.755 29.36889 19.00934 
1 1 1   17    9   26 o  130.175   8.0812  1123.43  133.503  1178.34  192.524  1072.58  185.288  133.261   11.376  127.090   11.480 6.171097 16.16240 
1 1 1   17    9   27 o  188.261   8.1582  2484.44  183.258  2024.86  297.257  2766.20  232.751  171.481   13.650  205.041   8.9387 -33.56041 16.31647 
1 1 1   17    9   28 o   84.022   12.761  530.127  131.252  691.864  205.720  419.094  170.451   95.096   17.686   72.949   18.401 22.14765 25.52237 
1 1 1   17    9   29 o  100.202   10.509  718.555  129.803  861.928  216.872  638.527  162.029  106.526   16.031   93.879   13.591 12.64703 21.01713 
1 1 1   17   11    0 o  537.399   5.3683 18125.06  316.764 17908.23  364.420 18795.28  640.692  530.987   5.4043  543.811   9.2773 -12.82416 10.73664 
1 1 1   17   11    1 o  788.199   7.3460 39603.57  641.087 39717.80  743.405 39272.14  1266.26  790.654   7.4039  785.744   12.690 4.910706 14.69199 
1 1 1   17   11    2 o  339.919   4.1255  7449.21  157.893  7581.36  185.493  7101.62  300.842  345.505   4.2276  334.333   7.0857 11.17261 8.251052 
1 1 1   17   11    3 o  778.365   7.2734 38536.61  623.804 38553.77  721.130 38485.59  1243.36  778.963   7.2899  777.768   12.588 1.195435 14.54678 
1 1 1   17   11    4 o  597.087   5.8375 22298.87  376.244 21984.28  429.178 23343.40  782.038  588.278   5.7448  605.895   10.164 -17.61664 11.67494 
1 1 1   17   11    5 o  402.975   4.6794 10561.38  229.476 11275.60  291.799  9403.70  371.504  421.298   5.4540  384.653   7.6053 36.64569 9.358802 
1 1 1   17   11    6 f  797.560   7.4727 39940.77  643.293 39463.41  734.202 41518.23  1334.68  787.918   7.3377  807.203   13.020 -19.28516 14.94541 
1 1 1   17   11    7 o  559.798   5.4863 20096.30  340.209 20273.32  395.215 19589.81  668.509  564.822   5.5099  554.774   9.4888 10.04742 10.97256 
1 1 1   17   11    8 o  170.512   4.1044  1945.79   72.739  2025.56   82.900  1678.93  151.633  178.566   3.6558  162.458   7.3498 16.10793 8.208746 
1 1 1   17   11    9 o  605.727   5.8643 23403.10  390.070 23441.98  450.341 23286.30  780.517  607.174   5.8405  604.279   10.171 2.894836 11.72869 
1 1 1   17   11   10 o  382.933   4.2808  9316.37  175.807  9307.28  200.615  9346.47  364.976  382.706   4.1278  383.161   7.5008 -0.4547729 8.561577 
1 1 1   17   11   11 o  473.643   4.8667 14362.83  251.962 14445.11  290.532 14113.17  506.070  476.687   4.7994  470.599   8.4680 6.087708 9.733499 
1 1 1   17   11   12 o  430.324   4.5653 11674.50  211.777 11577.18  241.775 11995.29  438.963  426.766   4.4611  433.883   7.9667 -7.117554 9.130692 
1 1 1   17   11   13 o  156.921   5.7515  1556.55  113.556  1664.27  175.020  1478.24  149.231  161.538   8.5317  152.304   7.7156 9.234238 11.50308 
1 1 1   17   11   14 o  108.032   7.1638  746.249   97.977  745.099  144.270  747.234  133.479  107.925   10.526  108.138   9.7198 -0.2134399 14.32752 
1 1 1   17   11   15 o  668.868   7.9156 28672.80  672.350 28471.64  948.826 28875.69  952.880  666.503   11.210  671.233   11.179 -4.730164 15.83117 
1 1 1   17   11   16 o  188.536   5.3579  2271.00  128.098  2151.72  182.335  2387.26  180.003  183.611   7.8197  193.461   7.3267 -9.849380 10.71582 
1 1 1   17   11   17 o  366.374   5.3641  8565.73  249.437  8707.73  359.887  8434.45  346.034  369.271   7.6744  363.477   7.4966 5.793427 10.72825 
1 1 1   17   11   18 f  358.715   5.4212  8223.96  246.326  8203.73  361.242  8241.53  336.759  358.220   7.9409  359.210   7.3823 -0.9901428 10.84237 
1 1 1   17   11   19 o  216.714   6.5274  2999.31  175.239  3071.06  282.039  2954.19  223.647  218.586   10.160  214.842   8.1972 3.744781 13.05479 
1 1 1   17   11   20 o  239.928   5.4515  3687.35  165.935  3589.31  237.956  3780.16  231.512  236.770   7.9139  243.086   7.4995 -6.315781 10.90291 
1 1 1   17   11   21 o  117.936   12.098  902.742  181.187   0.0000   0.0000  902.742  181.187  ?   ?   117.936   12.098      ?      ? 
1 1 1   17   11   22 o  172.230   6.6736  1919.57  145.259  2141.20  205.966  1700.25  204.893  182.303   8.8966  162.157   9.9497 20.14590 13.34715 
1 1 1   17   11   23 o  122.200   9.5716  1046.16  139.139  730.550  213.413  1279.50  183.500  104.163   16.134  140.236   10.304 -36.07311 19.14314 
1 1 1   17   11   24 o  104.837   11.165  797.191  135.315  604.641  214.075  925.313  174.625   91.357   19.068  118.317   11.622 -26.96017 22.33080 
1 1 1   17   11   25 o  111.177   12.286  861.337  171.454  1008.88  268.508  759.763  222.788  118.746   17.806  103.607   16.933 15.13896 24.57146 
1 1 1   17   11   26 o   28.011   13.989 -469.1905  204.075   0.0000   0.0000 -469.1905  204.075  ?   ?    28.011   13.989      ?      ? 
1 1 1   17   13    0 o  394.598   4.4206 10057.65  200.755 10281.56  239.434  9527.64  368.377  402.234   4.6874  386.961   7.4963 15.27319 8.841162 
1 1 1   17   13    1 o  330.485   4.0598  7051.35  154.894  7208.94  185.138  6683.70  282.783  336.825   4.3283  324.145   6.8697 12.68054 8.119499 
1 1 1   17   13    2 o  339.617   4.1041  7373.40  159.631  7426.34  189.010  7241.70  298.124  341.857   4.3537  337.377   6.9583 4.480286 8.208122 
1 1 1   17   13    3 o  282.279   3.9625  5052.07  126.219  5035.26  147.684  5097.62  243.105  281.498   4.1312  283.060   6.7630 -1.561066 7.924961 
1 1 1   17   13    4 o  248.580   4.0302  3991.12  119.950  4123.65  148.231  3739.69  204.162  254.718   4.5825  242.442   6.6311 12.27544 8.060479 
1 1 1   17   13    5 o  489.717   5.0025 15263.78  271.717 15263.45  315.164 15264.73  536.292  489.990   5.0649  489.443   8.6282 0.5469971 10.00498 
1 1 1   17   13    6 f  262.875   3.8146  4420.49  112.316  4450.47  131.190  4338.19  217.351  264.645   3.9035  261.105   6.5549 3.540527 7.629210 
1 1 1   17   13    7 o  339.951   4.0259  7353.35  151.594  7356.27  175.720  7344.88  299.762  340.224   4.0670  339.677   6.9492 0.5471802 8.051795 
1 1 1   17   13    8 o  278.281   3.8418  5007.67  116.826  5089.94  135.062  4763.21  232.813  283.016   3.7579  273.547   6.7019 9.469513 7.683563 
1 1 1   17   13    9 o  384.423   4.2772  9551.03  181.580  9707.20  211.030  9105.67  356.362  390.784   4.2523  378.062   7.4225 12.72235 8.554308 
1 1 1   17   13   10 o  192.905   3.7880  2357.64   77.029  2350.05   87.225  2384.51  164.182  192.303   3.5717  193.508   6.6811 -1.205139 7.575928 
1 1 1   17   13   11 o  278.560   3.8427  5046.50  113.405  5139.38  129.396  4738.85  235.497  284.372   3.5831  272.748   6.7990 11.62415 7.685396 
1 1 1   17   13   12 o  315.530   3.9561  6357.34  131.374  6373.69  148.888  6299.85  279.185  316.661   3.7024  314.399   6.9925 2.261749 7.912217 
1 1 1   17   13   13 f  191.365   5.5263  2350.43  131.960  2263.16  204.653  2412.54  172.644  188.209   8.5625  194.521   6.9889 -6.312317 11.05262 
1 1 1   17   13   14 o  143.979   6.3543  1329.99  115.678  1281.80  169.890  1371.65  157.950  141.482   9.4556  146.476   8.4913 -4.994049 12.70866 
1 1 1   17   13   15 o  296.285   5.2273  5616.50  196.305  5361.10  282.051  5856.45  273.385  289.676   7.6672  302.894   7.1073 -13.21817 10.45469 
1 1 1   17   13   16 f  122.745   7.7790  962.937  120.372  1025.77  183.715  915.672  159.339  126.156   11.467  119.334   10.514 6.821289 15.55792 
1 1 1   17   13   17 o  218.302   6.8628  3057.73  176.118  1694.34  234.456  4823.29  266.804  162.016   11.395  274.588   7.6513 -112.5720 13.72568 
1 1 1   17   13   18 o  251.537   5.5508  4058.07  176.862  3947.45  257.331  4157.10  243.485  248.197   8.1643  254.878   7.5225 -6.681152 11.10151 
1 1 1   17   13   19 f  154.692   7.2376  1536.45  140.367  1594.74  218.211  1495.31  183.331  157.001   10.944  152.383   9.4738 4.618546 14.47529 
1 1 1   17   13   20 o  474.345   6.2370 14470.36  375.209 15026.28  548.023 13979.82  514.786  482.812   8.9381  465.879   8.7011 16.93304 12.47392 
1 1 1   17   13   21 o   50.019   13.471  134.937  118.599  122.093  174.109  146.055  161.993   49.498   19.263   50.540   18.836 -1.042145 26.94186 
1 1 1   17   13   22 o  100.119   10.741  704.871  128.767  536.509  187.333  855.664  177.290   86.712   17.613  113.527   12.297 -26.81505 21.48129 
1 1 1   17   15    0 o  434.048   4.6993 11937.34  230.904 11868.60  270.544 12121.71  443.085  432.020   4.9312  436.076   8.0010 -4.055847 9.398615 
1 1 1   17   15    1 o  300.053   4.0458  5721.67  139.071  5713.01  164.340  5743.54  261.020  299.784   4.3167  300.322   6.8440 -0.5381470 8.091624 
1 1 1   17   15    2 o  327.943   4.2052  6905.26  157.605  6986.51  186.581  6702.89  294.453  331.503   4.4320  324.383   7.1479 7.119720 8.410468 
1 1 1   17   15    3 o   84.231   7.4570  444.970   71.269  434.573   83.295  473.379  137.689   82.560   7.9446   85.902   12.622 -3.341248 14.91393 
1 1 1   17   15    4 o  123.193   5.2837  934.527   76.277  886.265   90.615  1051.87  141.296  117.999   6.0471  128.387   8.6663 -10.38780 10.56744 
1 1 1   17   15    5 o  291.898   4.0241  5489.08  134.712  5580.98  160.056  5265.83  249.457  296.284   4.2539  287.512   6.8322 8.772095 8.048296 
1 1 1   17   15    6 o  142.150   4.9062  1277.87   78.364  1266.92   91.359  1308.36  152.446  141.120   5.0978  143.179   8.3841 -2.058868 9.812307 
1 1 1   17   15    7 f  319.359   4.4471  6493.30  174.143  6486.39  219.354  6505.08  286.389  319.256   5.4104  319.463   7.0592 -0.2071228 8.894121 
1 1 1   17   15    8 o  208.432   4.1922  2798.81   94.030  2828.09  107.780  2705.49  192.387  210.904   4.0242  205.961   7.3555 4.942795 8.384372 
1 1 1   17   15    9 o   64.558   9.2595  233.993   63.587  196.388   71.624  373.900  138.152   54.409   10.747   74.708   15.081 -20.29847 18.51901 
1 1 1   17   15   10 o  242.312   4.0092  3714.06  103.262  3692.98  117.262  3786.88  217.925  240.995   3.8315  243.630   7.0437 -2.635117 8.018356 
1 1 1   17   15   11 o  464.596   4.8660 13907.16  249.594 14047.99  289.611 13500.57  492.100  469.786   4.8544  459.405   8.4349 10.38034 9.732046 
1 1 1   17   15   12 o  244.457   4.3407  3765.00  120.846  3709.01  141.820  3913.42  230.905  241.400   4.6262  247.515   7.3461 -6.114685 8.681379 
1 1 1   17   15   13 o  122.083   6.6263  786.542   83.604  684.485   91.927  1274.80  201.069  103.527   6.9922  140.640   11.258 -37.11294 13.25261 
1 1 1   17   15   14 o  168.498   6.9019  1816.35  147.090  1919.23  220.165  1733.42  197.681  172.727   10.037  164.268   9.4762 8.458633 13.80371 
1 1 1   17   15   15 o  340.072   5.4187  7400.86  233.893  7482.44  337.035  7325.07  324.852  341.842   7.7637  338.301   7.5614 3.541290 10.83749 
1 1 1   17   15   16 o  148.360   7.5079  1419.30  139.634  1441.46  216.096  1403.42  182.959  149.153   11.409  147.568   9.7631 1.584961 15.01587 
1 1 1   17   15   17 o   48.448   13.353  107.673  119.284  140.406  165.715   72.477  171.838   50.776   19.026   46.121   18.742 4.655491 26.70686 
1 1 1   17   15   18 o   93.298   10.461  588.869  119.518  567.565  181.625  605.140  158.727   90.747   16.362   95.850   13.040 -5.102509 20.92294 
1 1 1   17   15   19 o  141.274   8.9742  1294.99  161.003   0.0000   0.0000  1294.99  161.003  ?   ?   141.274   8.9742      ?      ? 
1 1 1   17   17    0 o   63.778   10.742  287.492   81.366  316.981   95.541  209.635  155.240   70.272   10.706   57.284   18.627 12.98797 21.48423 
1 1 1   17   17    1 o  253.452   4.3181  4020.78  126.669  3920.72  149.919  4270.46  236.808  248.218   4.7560  258.686   7.2085 -10.46799 8.636134 
1 1 1   17   17    2 o  310.230   4.3237  6258.73  155.536  6453.21  186.970  5821.72  280.264  318.460   4.6231  302.000   7.3077 16.46017 8.647338 
1 1 1   17   17    3 o  257.398   4.1735  4248.13  125.409  4289.73  150.645  4154.21  226.347  259.646   4.5687  255.150   6.9856 4.495468 8.346947 
1 1 1   17   17    4 o  128.806   5.7581  1084.91   86.593  1125.48  104.840  997.828  153.604  132.867   6.2134  124.745   9.6962 8.122261 11.51621 
1 1 1   17   17    5 o  143.864   5.4654  1303.74   91.129  1277.13  108.088  1369.16  169.460  141.545   6.0132  146.184   9.1283 -4.639343 10.93086 
1 1 1   17   17    6 o  136.135   5.7276  1174.89   87.630  1162.95  102.155  1208.14  170.496  135.066   5.9558  137.204   9.7852 -2.138382 11.45520 
1 1 1   17   17    7 o  165.486   5.4741  1673.50  104.732  1572.88  122.977  1939.14  199.820  157.042   6.1664  173.930   9.0466 -16.88779 10.94829 
1 1 1   17   17    8 o  431.936   5.2811 11834.87  273.391 11651.55  334.034 12206.82  475.814  427.379   6.1546  436.493   8.5839 -9.113708 10.56228 
1 1 1   17   17    9 o  241.124   4.9507  3810.86  143.572  4045.54  179.827  3398.28  238.435  251.898   5.6215  230.351   8.1508 21.54710 9.901373 
1 1 1   17   17   10 o  387.160   4.5730  9610.34  194.252  9649.17  224.348  9494.03  388.273  389.283   4.5381  385.036   7.9407 4.246552 9.145991 
1 1 1   17   17   11 o  369.458   4.4812  8653.46  178.329  8596.73  203.649  8839.98  369.274  367.445   4.3643  371.471   7.8279 -4.026489 8.962316 
1 1 1   17   17   12 o  145.874   6.0225  1491.78   79.094  1552.07   86.680  1191.83  193.329  156.105   4.3724  135.643   11.223 20.46300 12.04502 
1 1 1   17   17   13 o  319.960   4.3197  6554.49  142.533  6561.71  160.292  6527.20  311.548  321.014   3.9320  318.906   7.6928 2.108582 8.639435 
1 1 1   17   17   14 o  256.425   5.5758  4225.08  181.408  4315.49  263.223  4143.28  250.359  258.986   8.0033  253.864   7.7658 5.122742 11.15169 
1 1 1   17   17   15 o   67.651   19.103  326.418  171.318   0.0000   0.0000  326.418  171.318  ?   ?    67.651   19.103      ?      ? 
1 1 1   17   19    0 o   48.846   11.670  150.620   92.622  216.463  109.966 -10.1373  171.827   56.500   15.055   41.192   17.835 15.30840 23.33968 
1 1 1   17   19    1 o  213.524   4.6867  2897.03  117.874  2870.48  141.955  2956.00  211.535  212.201   5.2678  214.846   7.7531 -2.645386 9.373371 
1 1 1   17   19    2 o  220.722   4.6362  3144.73  120.782  3201.91  146.734  3024.57  212.701  224.127   5.1553  217.316   7.7072 6.810577 9.272491 
1 1 1   17   19    3 o  111.697   7.6922  784.964  102.656  746.054  124.177  868.958  182.448  107.735   9.0763  115.659   12.422 -7.924004 15.38433 
1 1 1   17   19    4 o   98.741   9.3521  674.774   97.998  710.890  114.958  578.741  187.454  105.208   8.6043   92.275   16.608 12.93313 18.70415 
1 1 1   17   19    5 o  125.558   6.9841  963.080  101.656  892.168  119.345  1150.52  194.034  117.927   7.9692  133.188   11.472 -15.26111 13.96825 
1 1 1   17   19    6 o  245.814   4.7378  3917.49  132.789  3985.11  157.257  3749.48  247.877  249.990   4.9535  241.638   8.0778 8.352249 9.475632 
1 1 1   17   19    7 o  174.850   5.3319  1953.93  104.963  1944.66  122.675  1979.26  202.783  174.504   5.5357  175.197   9.1144 -0.6926117 10.66380 
1 1 1   17   19    8 o  206.976   4.9844  2793.29  113.945  2842.94  132.555  2652.77  223.004  211.078   4.9451  202.873   8.6558 8.204895 9.968826 
1 1 1   17   19    9 f  293.522   4.3438  5450.54  143.286  5375.88  166.902  5659.78  279.416  290.307   4.5272  296.737   7.4148 -6.429443 8.687647 
1 1 1   17   19   10 o  226.959   4.4439  3316.06  113.566  3331.44  133.048  3274.80  217.987  228.453   4.5860  225.465   7.6133 2.988632 8.887867 
1 1 1   17   19   11 o  115.316   6.8478  855.693  100.281  855.693  100.281   0.0000   0.0000  115.316   6.8478  ?   ?       ?      ? 
1 1 1   17   19   12 o   72.028   8.9050  338.038   81.454  338.038   81.454   0.0000   0.0000   72.028   8.9050  ?   ?       ?      ? 
1 1 1   17   21    0 f   96.716   9.1011  597.308  107.411  536.149  132.031  717.007  184.709   90.141   11.534  103.290   14.082 -13.14963 18.20217 
1 1 1   17   21    1 o  157.236   6.0039  1628.68  112.411  1679.80  138.297  1529.14  192.978  161.547   6.7412  152.925   9.9369 8.622437 12.00775 
1 1 1   17   21    2 o  115.661   8.4014  915.946  111.099  961.090  133.372  813.612  200.804  121.623   8.6351  109.699   14.414 11.92410 16.80283 
1 1 1   17   21    3 o  137.280   7.2611  1172.81  113.564  1096.49  132.071  1389.32  222.452  130.061   7.9962  144.499   12.123 -14.43736 14.52223 
1 1 1   17   21    4 o  122.783   8.5398  1036.74  111.912  1067.67  128.924  942.174  225.411  128.295   7.9131  117.271   15.136 11.02366 17.07954 
1 1 1   17   21    5 o  143.115   7.0623  1368.59  117.378  1401.88  141.310  1294.53  210.804  147.044   7.5674  139.185   11.926 7.858978 14.12460 
1 1 1   17   23    0 f   47.540   13.142  155.136  117.242  198.067  146.565   78.850  195.374   50.826   18.067   44.254   19.090 6.572014 26.28404 
1 1 1   17   23    1 o   36.767   15.969   27.777  138.615   27.777  138.615   0.0000   0.0000   36.767   15.969  ?   ?       ?      ? 
1 1 1   17   23    2 o   87.850   12.524  544.975  139.722  544.975  139.722   0.0000   0.0000   87.850   12.524  ?   ?       ?      ? 
1 1 1   17   23    5 o   48.658   17.188  185.894  132.451  185.894  132.451   0.0000   0.0000   48.658   17.188  ?   ?       ?      ? 
1 1 1   18    0    0 o  765.874   6.1396 37275.78  844.235 37275.78  844.235 37275.78  844.235  765.874   8.6827  765.874   8.6827 -0.000000 0.000000 
1 1 1   18    0    1 o  497.012   4.2171 15694.95  376.302 15694.95  376.302 15694.95  376.302  497.012   5.9639  497.012   5.9639 -0.000000 0.000000 
1 1 1   18    0    2 o   70.957   3.9975  325.804   50.199  325.804   50.199  325.804   50.199   70.957   5.6534   70.957   5.6534 -0.000000 0.000000 
1 1 1   18    0    3 o   75.250   3.7698  364.997   50.359  364.997   50.359  364.997   50.359   75.250   5.3313   75.250   5.3313 -0.000000 0.000000 
1 1 1   18    0    4 o  276.109   2.8602  4844.26  141.760  4844.26  141.760  4844.26  141.760  276.109   4.0449  276.109   4.0449 -0.000000 0.000000 
1 1 1   18    0    5 o  415.992   3.6754 10994.76  274.496 10994.76  274.496 10994.76  274.496  415.992   5.1979  415.992   5.1979 -0.000000 0.000000 
1 1 1   18    0    6 o  489.941   4.1668 15251.27  366.521 15251.27  366.521 15251.27  366.521  489.941   5.8928  489.941   5.8928 -0.000000 0.000000 
1 1 1   18    0    7 o  1049.39   8.2536 69999.93  1555.08 69999.93  1555.08 69999.93  1555.08  1049.39   11.672  1049.39   11.672 -0.000000 0.000000 
1 1 1   18    0    8 o  203.228   2.7241  2625.52   99.346  2625.52   99.346  2625.52   99.346  203.228   3.8525  203.228   3.8525 -0.000000 0.000000 
1 1 1   18    0    9 o  747.291   6.0087 35484.57  806.193 35484.57  806.193 35484.57  806.193  747.291   8.4976  747.291   8.4976 -0.000000 0.000000 
1 1 1   18    0   10 o   93.094   4.4215  557.794   73.158  557.794   73.158  557.794   73.158   93.094   6.2529   93.094   6.2529 -0.000000 0.000000 
1 1 1   18    0   11 o  1835.21   14.247 214320.80  4694.45 214320.80  4694.45 214320.80  4694.45  1835.21   20.148  1835.21   20.148 -0.000000 0.000000 
1 1 1   18    0   12 o  1702.99   18.770 184904.50  5737.48 184904.50  5737.48 184904.50  5737.48  1702.99   26.544  1702.99   26.544 -0.000000 0.000000 
1 1 1   18    0   13 o  529.252   4.5022 17797.16  427.802 17797.16  427.802 17797.16  427.802  529.252   6.3671  529.252   6.3671 -0.000000 0.000000 
1 1 1   18    0   14 o  685.418   5.5839 29853.19  687.156 29853.19  687.156 29853.19  687.156  685.418   7.8968  685.418   7.8968 -0.000000 0.000000 
1 1 1   18    0   15 o   33.621   10.611  103.778   68.050  103.778   68.050  103.778   68.050   33.621   15.006   33.621   15.006 -0.000000 0.000000 
1 1 1   18    0   16 o  242.184   3.0211  3728.72  131.312  3728.72  131.312  3728.72  131.312  242.184   4.2726  242.184   4.2726 -0.000000 0.000000 
1 1 1   18    0   17 o  851.377   6.8108 46135.07  1041.09 46135.07  1041.09 46135.07  1041.09  851.377   9.6319  851.377   9.6319 -0.000000 0.000000 
1 1 1   18    0   18 o  574.447   4.8264 20986.43  497.772 20986.43  497.772 20986.43  497.772  574.447   6.8256  574.447   6.8256 -0.000000 0.000000 
1 1 1   18    0   19 o  344.385   3.4333  7540.28  212.255  7540.28  212.255  7540.28  212.255  344.385   4.8555  344.385   4.8555 -0.000000 0.000000 
1 1 1   18    0   20 o   72.846   6.1397  351.845   77.311  351.845   77.311  351.845   77.311   72.846   8.6828   72.846   8.6828 -0.000000 0.000000 
1 1 1   18    0   21 o  431.066   3.9320 11818.61  304.289 11818.61  304.289 11818.61  304.289  431.066   5.5607  431.066   5.5607 -0.000000 0.000000 
1 1 1   18    0   22 o  509.534   4.4374 16522.21  405.928 16522.21  405.928 16522.21  405.928  509.534   6.2755  509.534   6.2755 -0.000000 0.000000 
1 1 1   18    0   23 o   21.436   9.8339  -4.4920   90.135  -4.4920   90.135  -4.4920   90.135   21.436   13.907   21.436   13.907 -0.000000 0.000000 
1 1 1   18    0   25 o  217.253   3.6118  3007.27  140.745  3007.27  140.745  3007.27  140.745  217.253   5.1078  217.253   5.1078 -0.000000 0.000000 
1 1 1   18    0   26 o   29.965   12.177   74.935  104.646   74.935  104.646   74.935  104.646   29.965   17.221   29.965   17.221 -0.000000 0.000000 
1 1 1   18    0   27 o  332.304   3.6275  7036.51  216.370  7036.51  216.370  7036.51  216.370  332.304   5.1300  332.304   5.1300 -0.000000 0.000000 
1 1 1   18    0   28 o   62.841   11.180  300.522  109.133  300.522  109.133  300.522  109.133   62.841   15.811   62.841   15.811 -0.000000 0.000000 
1 1 1   18    0   29 o   19.007   9.4957 -148.7875  131.300 -148.7875  131.300 -148.7875  131.300   19.007   13.429   19.007   13.429 -0.000000 0.000000 
1 1 1   18    0   30 o  325.635   3.7576  6789.39  219.620  6789.39  219.620  6789.39  219.620  325.635   5.3140  325.635   5.3140 -0.000000 0.000000 
1 1 1   18    0   31 o  175.152   4.2031  1978.96  131.870  1978.96  131.870  1978.96  131.870  175.152   5.9441  175.152   5.9441 -0.000000 0.000000 
1 1 1   18    2    0 o  240.581   3.9272  3675.78  119.983  3675.78  119.983   0.0000   0.0000  240.581   3.9272  ?   ?       ?      ? 
1 1 1   18    2    1 o  337.808   3.2129  7247.54  137.831  7255.99  194.810  7239.08  195.036  338.005   4.5385  337.610   4.5491 0.3942871 6.425875 
1 1 1   18    2    2 o  488.349   4.1585 15147.34  257.878 15020.74  362.154 15277.54  367.291  486.280   5.8645  490.418   5.8975 -4.138123 8.316981 
1 1 1   18    2    3 o  485.780   4.1420 14988.65  255.508 14896.17  359.010 15083.58  363.721  484.262   5.8378  487.297   5.8776 -3.035522 8.284043 
1 1 1   18    2    4 o  634.563   5.1846 25556.22  417.475 24929.77  576.815 26245.37  604.990  626.409   7.2510  642.717   7.4123 -16.30762 10.36915 
1 1 1   18    2    5 o  960.146   9.2980 58553.85  1066.44 58922.19  1858.01 58372.89  1302.33  962.087   15.207  958.205   10.702 3.881836 18.59596 
1 1 1   18    2    6 o  465.597   4.0073 13766.29  236.905 13948.92  338.675 13591.31  331.508  468.619   5.6910  462.574   5.6433 6.044647 8.014614 
1 1 1   18    2    7 o  1182.29   9.2607 88913.03  1390.41 88765.25  1963.06 89061.80  1969.63  1181.30   13.086  1183.27   13.108 -1.968018 18.52139 
1 1 1   18    2    8 f  477.702   5.0977 14027.87  280.275 13430.50  329.112 15604.60  534.690  459.839   5.6359  495.565   8.4962 -35.72662 10.19550 
1 1 1   18    2    9 o  1099.55   8.6427 76849.12  1206.57 75898.73  1685.80 77847.31  1727.67  1092.59   12.150  1106.51   12.295 -13.91895 17.28541 
1 1 1   18    2   10 o  265.753   3.0369  4478.29  102.404  4321.95  141.279  4651.35  148.643  260.874   4.2645  270.632   4.3250 -9.757965 6.073880 
1 1 1   18    2   11 o  439.658   3.9405 12247.54  219.700 11734.96  301.029 12831.76  321.374  429.840   5.5147  449.476   5.6302 -19.63611 7.881092 
1 1 1   18    2   12 o  1701.83   13.241 184434.59  2860.60 187378.20  4110.73 181670.70  3983.28  1714.94   18.875  1688.71   18.574 26.23010 26.48152 
1 1 1   18    2   13 o  577.968   4.8238 21211.69  353.959 20834.80  493.556 21610.81  507.900  572.686   6.7864  583.250   6.8572 -10.56464 9.647628 
1 1 1   18    2   14 f  757.725   6.1053 36478.87  587.353 35971.90  820.232 37012.42  841.461  752.328   8.5852  763.123   8.6828 -10.79529 12.21056 
1 1 1   18    2   15 o  349.224   3.3945  7745.65  150.514  7830.40  215.402  7664.78  210.404  351.090   4.8312  347.359   4.7698 3.730957 6.789037 
1 1 1   18    2   16 o  665.339   5.4505 28150.72  460.366 28633.63  661.650 27697.55  640.955  670.857   7.7664  659.820   7.6493 11.03705 10.90091 
1 1 1   18    2   17 o  331.285   4.7615  6975.83  200.320  6975.83  200.320   0.0000   0.0000  331.285   4.7615  ?   ?       ?      ? 
1 1 1   18    2   18 o  293.169   3.9418  5438.89  137.771  5387.85  167.661  5545.00  241.752  291.141   4.5347  295.197   6.4488 -4.055695 7.883604 
1 1 1   18    2   19 o  361.815   4.4239  8284.83  187.626  8452.93  339.852  8211.13  225.028  364.282   7.3464  359.348   4.9311 4.934021 8.847898 
1 1 1   18    2   20 o  213.490   3.1050  2896.59   84.161  2950.28  120.734  2845.84  117.378  215.412   4.4135  211.568   4.3688 3.844116 6.210098 
1 1 1   18    2   21 o  349.225   3.4759  7757.51  154.138  7608.05  216.638  7910.75  219.356  345.817   4.9330  352.634   4.8983 -6.817078 6.951841 
1 1 1   18    2   22 o  576.570   4.8835 21186.23  357.352 21656.76  516.324 20753.61  495.087  582.683   6.9777  570.457   6.8341 12.22638 9.766943 
1 1 1   18    2   23 o  261.146   3.3876  4337.80  112.293  4165.00  156.564  4520.87  161.148  255.790   4.8198  266.502   4.7615 -10.71205 6.775164 
1 1 1   18    2   24 o  528.947   6.6440 17862.89  446.293 17862.89  446.293   0.0000   0.0000  528.947   6.6440  ?   ?       ?      ? 
1 1 1   18    2   25 o   95.777   6.0806  594.443   72.387  450.669  101.313  744.381  103.462   83.713   9.5301  107.841   7.5547 -24.12801 12.16124 
1 1 1   18    2   26 o  133.433   4.6969  1140.21   79.488  1076.46  112.574  1203.61  112.254  129.680   6.8358  137.186   6.4433 -7.506302 9.393837 
1 1 1   18    2   27 o  128.396   4.8588  1057.80   79.218  1050.85  111.196  1064.97  112.885  127.973   6.8421  128.818   6.9005 -0.8450165 9.717598 
1 1 1   18    2   28 o  169.631   4.0159  1846.04   86.468  1895.51  121.662  1795.55  122.917  171.960   5.5712  167.302   5.7854 4.657532 8.031766 
1 1 1   18    2   29 o   56.202   11.916  223.993   95.653  140.268  132.266  315.794  138.497   46.793   17.094   65.611   16.607 -18.81833 23.83241 
1 1 1   18    2   30 o  127.303   4.9977  1058.80   80.392  1193.85  114.918  929.357  112.504  135.446   6.6810  119.160   7.4346 16.28596 9.995477 
1 1 1   18    2   31 o  144.526   7.1689  1443.07  128.881  1317.45  197.163  1536.80  170.302  137.775   11.269  151.278   8.8648 -13.50294 14.33773 
1 1 1   18    4    0 o  361.981   4.2868  8582.67  188.505  9381.94  241.186  7328.00  302.183  384.338   4.9415  339.625   7.0064 44.71295 8.573681 
1 1 1   18    4    1 o  815.546   6.5246 42219.58  675.144 43480.34  980.129 41081.23  931.334  827.108   9.3313  803.983   9.1218 23.12512 13.04917 
1 1 1   18    4    2 o  869.342   6.9157 48038.23  763.487 47980.66  1077.82 48096.21  1081.66  868.820   9.7688  869.864   9.7917 -1.043518 13.83137 
1 1 1   18    4    3 o  519.920   4.3939 17147.26  289.850 17729.08  420.915 16622.55  399.725  528.294   6.2739  511.546   6.1532 16.74756 8.787710 
1 1 1   18    4    4 o  508.193   6.0885 16405.17  392.932 16405.17  392.932   0.0000   0.0000  508.193   6.0885  ?   ?       ?      ? 
1 1 1   18    4    5 o  1006.87   7.9431 64276.40  1013.47 67118.48  1493.61 61851.36  1379.68  1027.42   11.448  986.330   11.015 41.08624 15.88629 
1 1 1   18    4    6 o  1196.33   9.3757 91031.77  1424.31 90445.28  2000.82 91634.33  2028.02  1192.43   13.213  1200.23   13.305 -7.797607 18.75138 
1 1 1   18    4    7 o  414.442   3.7103 10908.69  195.268 10862.24  274.772 10956.08  277.552  413.552   5.2320  415.333   5.2622 -1.781738 7.420546 
1 1 1   18    4    8 o  1340.78   10.472 114357.30  1782.95 115077.60  2537.15 113654.60  2506.08  1344.94   14.855  1336.61   14.764 8.325562 20.94395 
1 1 1   18    4    9 o  635.454   5.2345 25647.61  422.346 25369.59  591.144 25937.50  603.627  631.939   7.3662  638.970   7.4389 -7.030884 10.46890 
1 1 1   18    4   10 o  408.520   5.3205 10599.52  276.024 10599.52  276.024   0.0000   0.0000  408.520   5.3205  ?   ?       ?      ? 
1 1 1   18    4   11 o  390.536   3.6504  9685.26  181.019  9592.20  253.627  9781.88  258.441  388.625   5.1391  392.448   5.1856 -3.822693 7.300758 
1 1 1   18    4   12 f  306.137   3.1971  5950.91  124.276  5803.28  174.519  6102.80  177.013  302.285   4.5462  309.989   4.4966 -7.703552 6.394296 
1 1 1   18    4   13 o  422.636   3.8252 11305.82  204.871 11957.43  301.965 10750.06  278.872  433.878   5.4804  411.394   5.3379 22.48367 7.650348 
1 1 1   18    4   14 o  644.904   5.3072 26433.80  434.645 26479.85  616.340 26388.25  613.035  645.462   7.5192  644.347   7.4918 1.115051 10.61443 
1 1 1   18    4   15 o  619.114   5.1259 24361.03  402.858 23877.90  560.391 24877.74  579.546  612.772   7.2014  625.457   7.2965 -12.68518 10.25174 
1 1 1   18    4   16 o  214.816   2.9915  2933.96   81.556  2871.74  116.626  2993.52  114.092  212.582   4.3201  217.050   4.1392 -4.467682 5.982972 
1 1 1   18    4   17 o  626.432   5.1881 24982.47  412.717 24871.37  581.896 25094.94  585.462  625.032   7.3310  627.833   7.3431 -2.800110 10.37615 
1 1 1   18    4   18 o  327.836   3.3385  6819.13  138.807  7092.87  202.753  6577.65  190.430  334.011   4.7800  321.661   4.6619 12.34979 6.676948 
1 1 1   18    4   19 o  514.791   4.4302 16869.54  289.618 16865.22  410.637 16873.81  408.536  514.721   6.2821  514.859   6.2483 -0.1380615 8.860414 
1 1 1   18    4   20 o  316.135   3.3066  6353.68  132.693  6435.69  190.939  6277.08  184.536  318.102   4.7266  314.169   4.6253 3.933411 6.613190 
1 1 1   18    4   21 o   84.650   5.2028  460.681   55.368  389.058   78.780  530.591   77.833   78.064   7.9467   91.235   6.7178 -13.17071 10.40570 
1 1 1   18    4   22 o  437.641   4.0109 12201.31  222.872 12201.83  318.307 12200.81  312.159  437.636   5.7274  437.646   5.6166 -0.9796143E-02 8.021796 
1 1 1   18    4   23 o  186.619   3.8661  2217.37   91.522  2186.38  126.118  2251.84  133.022  185.255   5.3608  187.983   5.5722 -2.727768 7.732237 
1 1 1   18    4   24 o  289.588   3.5662  5339.74  131.111  5182.96  183.047  5504.93  187.886  285.224   5.0536  293.953   5.0331 -8.729645 7.132394 
1 1 1   18    4   25 o  204.148   3.5998  2656.19   93.311  2590.08  130.995  2724.28  132.951  201.565   5.1175  206.730   5.0642 -5.164169 7.199671 
1 1 1   18    4   26 o  223.451   3.5682  3186.14  101.247  3167.25  143.738  3204.73  142.638  222.787   5.0805  224.116   5.0117 -1.329132 7.136418 
1 1 1   18    4   27 o   67.840   7.9766  310.202   65.891  335.592   88.026  277.848   99.369   71.849   9.6474   63.830   12.705 8.019218 15.95313 
1 1 1   18    4   28 o  149.946   4.3077  1448.13   81.901  1528.31  115.249  1366.32  116.411  154.209   5.8851  145.683   6.2923 8.526627 8.615479 
1 1 1   18    4   29 o  150.810   9.6792  1750.42  160.365  956.498  252.051  2290.38  207.865  115.012   17.257  186.607   8.7715 -71.59543 19.35837 
1 1 1   18    4   30 o   36.650   11.752 -37.8462  120.071 -131.5892  190.943   23.468  154.423   34.912   16.478   38.388   16.761 -3.475544 23.50438 
1 1 1   18    4   31 o   43.880   13.076   87.760  125.114  197.540  193.265   8.5623  164.153   50.362   20.081   37.398   16.753 12.96462 26.15117 
1 1 1   18    6    0 o  738.407   5.9868 34609.45  560.863 33826.50  773.380 35478.05  814.583  729.615   8.3468  747.198   8.5846 -17.58331 11.97353 
1 1 1   18    6    1 o  509.393   4.4035 16483.36  284.847 16669.80  402.783 16296.82  402.885  512.276   6.1914  506.510   6.2635 5.765717 8.807079 
1 1 1   18    6    2 o  249.409   3.1292  3932.28   98.437  3802.66  130.842  4101.33  149.424  244.698   4.2106  254.121   4.6302 -9.423218 6.258427 
1 1 1   18    6    3 o  203.351   4.1172  2626.11  106.323  2626.11  106.323   0.0000   0.0000  203.351   4.1172  ?   ?       ?      ? 
1 1 1   18    6    4 o  692.011   6.9320 30248.59  570.545 30965.22  1006.83 29909.61  692.460  697.903   11.360  686.120   7.9472 11.78265 13.86401 
1 1 1   18    6    5 o  653.146   5.3633 27054.95  444.234 26269.60  609.212 27946.71  649.173  643.047   7.4602  663.245   7.7074 -20.19794 10.72651 
1 1 1   18    6    6 o  779.806   6.2850 38637.00  622.388 38877.64  883.167 38399.57  877.242  782.218   8.8907  777.394   8.8859 4.824097 12.56996 
1 1 1   18    6    7 o  1377.42   10.772 120719.60  1884.20 121480.90  2680.27 119975.80  2649.31  1381.70   15.275  1373.13   15.193 8.570313 21.54436 
1 1 1   18    6    8 o  1104.41   8.7041 77543.34  1220.64 76911.28  1711.44 78197.74  1741.42  1099.84   12.253  1108.98   12.365 -9.146362 17.40816 
1 1 1   18    6    9 o  1215.81   9.5445 93955.82  1472.80 92159.28  2041.66 95905.06  2126.66  1203.72   13.356  1227.89   13.638 -24.17419 19.08896 
1 1 1   18    6   10 o  483.948   4.2403 14876.45  260.589 14875.10  366.873 14877.83  370.205  483.927   5.9698  483.970   6.0235 -0.4287720E-01 8.480598 
1 1 1   18    6   11 o  716.330   5.8274 32586.22  529.864 32002.69  735.918 33214.36  763.526  709.680   8.1656  722.980   8.3161 -13.30029 11.65482 
1 1 1   18    6   12 o  419.026   3.8095 11141.21  202.545 10878.74  279.596 11431.05  293.815  413.841   5.3201  424.211   5.4540 -10.37100 7.619026 
1 1 1   18    6   13 o  897.019   7.1625 51178.23  815.654 50403.14  1136.36 52001.95  1171.46  890.030   10.054  904.008   10.204 -13.97772 14.32498 
1 1 1   18    6   14 o  286.371   3.1522  5205.46  114.573  5056.58  158.854  5366.88  165.407  282.109   4.4341  290.634   4.4816 -8.524872 6.304403 
1 1 1   18    6   15 o  289.411   3.1343  5320.46  115.162  5489.16  164.760  5159.30  161.032  293.896   4.4145  284.926   4.4504 8.969299 6.268503 
1 1 1   18    6   16 o  433.263   3.9149 11924.50  215.269 11569.19  298.106 12311.68  311.188  426.530   5.5035  439.996   5.5692 -13.46603 7.829782 
1 1 1   18    6   17 o   51.114   7.0373  171.773   43.914  163.428   59.452  181.794   65.144   49.749   9.7589   52.479   10.142 -2.729122 14.07465 
1 1 1   18    6   18 o  103.783   3.9711  679.954   52.108  602.421   70.466  773.511   77.407   97.302   5.7027  110.264   5.5280 -12.96163 7.942235 
1 1 1   18    6   19 o   97.073   4.0056  596.346   49.221  557.893   66.443  643.117   73.277   93.628   5.5881  100.519   5.7404 -6.890968 8.011196 
1 1 1   18    6   20 o  125.445   3.5759  1000.80   56.925  986.815   78.792  1016.06   82.333  124.533   4.9821  126.357   5.1309 -1.823967 7.151789 
1 1 1   18    6   21 o  390.748   3.7086  9713.95  183.927  9940.37  265.538  9505.14  255.005  395.112   5.2921  386.384   5.1970 8.727295 7.417219 
1 1 1   18    6   22 o  235.363   3.2258  3517.15   96.258  3670.23  141.160  3384.09  131.601  240.130   4.6290  230.596   4.4940 9.534439 6.451615 
1 1 1   18    6   23 o  119.370   4.4180  918.271   66.159  981.665   88.941  839.745   98.988  124.083   5.6443  114.658   6.7984 9.425575 8.836065 
1 1 1   18    6   24 o  347.467   3.5498  7693.38  156.628  7786.09  223.104  7603.29  219.940  349.529   5.0263  345.405   5.0142 4.124481 7.099664 
1 1 1   18    6   25 o  217.039   3.2627  3001.84   89.876  2979.18  124.816  3026.25  129.523  216.201   4.5461  217.878   4.6812 -1.676727 6.525367 
1 1 1   18    6   26 o  107.394   4.4045  741.753   59.197  755.920   77.826  722.304   91.187  108.704   5.6377  106.085   6.7687 2.618462 8.808977 
1 1 1   18    6   27 o  234.087   5.7821  3533.95  170.803  3721.71  258.924  3389.30  227.263  239.353   8.5184  228.820   7.8209 10.53290 11.56412 
1 1 1   18    6   28 o  172.963   7.2345  1963.78  154.449  2075.10  252.327  1897.08  195.311  176.035   11.287  169.891   9.0527 6.143707 14.46899 
1 1 1   18    6   29 o   75.815   12.092  435.709  110.024  438.874  184.614  433.966  137.015   74.280   19.370   77.350   14.481 -3.069832 24.18492 
1 1 1   18    6   30 o   68.922   13.598  406.737  123.939  354.845  201.151  438.492  157.357   63.312   21.228   74.532   17.001 -11.22015 27.19671 
1 1 1   18    8    0 f  663.289   6.2686 28244.73  464.560 28573.22  542.533 27341.90  899.419  670.702   6.3697  655.876   10.798 14.82611 12.53715 
1 1 1   18    8    1 o  118.925   4.9045  881.341   65.893  861.822   76.804  935.779  128.262  116.489   5.1918  121.361   8.3222 -4.872742 9.808902 
1 1 1   18    8    2 o  304.657   6.8286  5895.92  264.193   0.0000   0.0000  5895.92  264.193  ?   ?   304.657   6.8286      ?      ? 
1 1 1   18    8    3 o  112.072   9.8751  798.243  140.545   0.0000   0.0000  798.243  140.545  ?   ?   112.072   9.8751      ?      ? 
1 1 1   18    8    4 o  605.628   5.1501 23244.89  395.046 22585.70  536.380 24026.37  584.014  596.274   7.0835  614.982   7.4780 -18.70752 10.30030 
1 1 1   18    8    5 o  677.725   7.8854 29181.28  678.662 29181.28  678.662   0.0000   0.0000  677.725   7.8854  ?   ?       ?      ? 
1 1 1   18    8    6 o  295.850   3.6789  5521.56  135.971  5359.44  175.876  5762.42  214.372  290.495   4.7675  301.206   5.6044 -10.71106 7.357848 
1 1 1   18    8    7 o  299.460   3.6024  5686.80  135.545  5636.50  178.746  5754.87  207.924  297.909   4.7247  301.010   5.4393 -3.101379 7.204809 
1 1 1   18    8    8 o  673.373   5.5814 28800.01  477.007 28536.02  662.043 29085.00  687.878  670.172   7.7790  676.575   8.0061 -6.403076 11.16285 
1 1 1   18    8    9 o  233.783   3.4011  3471.46   98.996  3472.14  127.973  3470.44  156.216  233.818   4.3098  233.749   5.2626 0.6968689E-01 6.802174 
1 1 1   18    8   10 o  443.371   4.0420 12469.31  227.100 12219.77  309.895 12758.77  333.768  438.592   5.5639  448.149   5.8647 -9.557495 8.084007 
1 1 1   18    8   11 o  521.512   4.5254 17281.13  299.552 17190.14  416.401 17378.72  431.250  520.096   6.3045  522.928   6.4940 -2.831482 9.050877 
1 1 1   18    8   12 o  384.842   3.6980  9388.91  180.099  9150.02  243.424  9677.82  267.699  379.458   5.0515  390.226   5.4020 -10.76840 7.395905 
1 1 1   18    8   13 o  354.899   3.5534  7987.50  159.692  7774.85  216.589  8240.80  236.386  349.747   4.8765  360.052   5.1699 -10.30542 7.106850 
1 1 1   18    8   14 f  226.693   3.1457  3253.23   89.429  3186.99  117.007  3346.30  138.682  223.944   4.1143  229.441   4.7596 -5.497543 6.291361 
1 1 1   18    8   15 o  623.624   5.2584 24751.40  416.164 24355.78  576.310 25182.50  601.592  618.445   7.3380  628.804   7.5337 -10.35950 10.51680 
1 1 1   18    8   16 o  472.543   5.9767 14209.17  358.659 14209.17  358.659   0.0000   0.0000  472.543   5.9767  ?   ?       ?      ? 
1 1 1   18    8   17 o  655.654   6.7621 27589.12  539.831 27909.70  675.950 27024.58  896.988  661.529   8.0461  649.780   10.870 11.74945 13.52422 
1 1 1   18    8   18 o  209.254   5.0018  2785.80  132.384  2848.31  197.167  2734.49  178.639  211.356   7.3459  207.153   6.7906 4.203537 10.00368 
1 1 1   18    8   19 o  436.409   5.8004 12166.75  321.394 12135.02  459.041 12197.26  450.128  435.822   8.2940  436.997   8.1111 -1.174652 11.60089 
1 1 1   18    8   20 o  146.641   6.2966  1373.35  116.283  1401.96  176.978  1351.61  154.253  147.910   9.4220  145.372   8.3555 2.538101 12.59322 
1 1 1   18    8   21 o   61.789   12.162  235.535  105.943  405.630  161.262  106.378  140.521   77.246   16.908   46.331   17.487 30.91483 24.32487 
1 1 1   18    8   22 o  151.155   6.6577  1467.44  127.781  1455.33  179.022  1480.03  182.446  150.528   9.3651  151.782   9.4654 -1.253662 13.31534 
1 1 1   18    8   23 o  245.827   5.6681  3870.61  175.683  3902.78  265.211  3845.46  234.518  246.601   8.4687  245.054   7.5359 1.546692 11.33622 
1 1 1   18    8   24 o  370.981   5.7127  8850.90  268.913  8651.05  385.332  9040.63  375.461  366.788   8.2726  375.174   7.8805 -8.386017 11.42533 
1 1 1   18    8   25 o   69.723   14.315  344.492  132.131  367.683  210.271  329.359  169.855   71.409   21.456   68.037   18.954 3.371346 28.62932 
1 1 1   18    8   26 o  215.935   5.8638  3003.55  158.373  3151.36  248.756  2902.80  205.373  220.016   8.9031  211.854   7.6336 8.161835 11.72765 
1 1 1   18    8   27 o  141.978   8.7412  1338.83  154.878  1731.30  234.800  1036.54  206.064  160.656   11.509  123.301   13.160 37.35501 17.48249 
1 1 1   18    8   28 o   46.599   12.594  129.211  107.877   51.709  152.199  207.456  152.926   40.332   17.109   52.865   18.485 -12.53295 25.18756 
1 1 1   18    8   29 o   79.012   13.075  477.075  126.084  656.960  210.159  375.919  157.596   89.850   19.012   68.173   17.955 21.67697 26.14983 
1 1 1   18   10    0 f  687.510   6.9025 30219.54  571.436 30614.69  706.422 29471.51  971.956  694.154   8.0137  680.866   11.241 13.28845 13.80509 
1 1 1   18   10    1 o  642.723   6.4869 26523.81  505.567 27203.91  632.080 25316.06  842.322  654.362   7.6064  631.085   10.510 23.27698 12.97389 
1 1 1   18   10    2 o  560.305   5.8819 19637.84  389.701 19120.94  468.862 20792.87  700.869  548.632   6.7295  571.978   9.6489 -23.34540 11.76388 
1 1 1   18   10    3 o  660.146   6.2987 27583.87  455.216 27477.29  523.983 27911.88  919.203  657.694   6.2736  662.598   10.924 -4.904053 12.59733 
1 1 1   18   10    4 o  902.559   8.2964 52070.55  829.525 52354.68  962.836 51252.30  1633.94  907.693   8.3529  897.424   14.337 10.26935 16.59288 
1 1 1   18   10    5 o  904.054   8.3388 51830.68  825.226 51684.56  950.119 52279.47  1665.09  901.842   8.2960  906.267   14.468 -4.425110 16.67764 
1 1 1   18   10    6 o  218.139   3.7701  3034.65   88.828  3045.57  101.789  2999.75  181.905  218.988   3.6602  217.290   6.5922 1.698212 7.540116 
1 1 1   18   10    7 o  221.562   3.8321  3171.46   89.545  3214.83  101.848  3023.77  187.947  224.987   3.5646  218.137   6.7847 6.850693 7.664100 
1 1 1   18   10    8 o  695.671   6.6232 30327.63  495.286 29928.89  564.083 31669.72  1034.89  686.212   6.4730  705.131   11.557 -18.91858 13.24631 
1 1 1   18   10    9 o  524.129   5.2473 17118.01  293.415 16827.99  332.782 18130.88  621.895  514.596   5.0923  533.662   9.1764 -19.06567 10.49468 
1 1 1   18   10   10 o  628.364   6.0340 25235.95  417.190 25328.87  482.381 24960.16  831.020  631.129   6.0186  625.600   10.460 5.529114 12.06805 
1 1 1   18   10   11 o  216.495   3.7191  2922.25   79.538  2889.02   87.909  3072.21  186.754  213.253   3.2461  219.737   6.6925 -6.483383 7.438208 
1 1 1   18   10   12 o  539.785   5.3666 18493.53  315.317 18436.25  362.066 18673.38  641.554  538.462   5.2949  541.107   9.3362 -2.645142 10.73317 
1 1 1   18   10   13 o  317.104   3.9911  6575.69  135.667  6740.22  155.840  6060.71  275.706  325.681   3.7680  308.527   7.0368 17.15436 7.982120 
1 1 1   18   10   14 o  491.722   6.2058 15412.15  387.231 15765.25  560.820 15090.43  535.325  497.071   8.8844  486.373   8.6670 10.69745 12.41168 
1 1 1   18   10   15 f  253.724   5.0127  4103.47  160.581  4084.90  240.049  4118.51  216.037  253.156   7.4668  254.291   6.6899 -1.134827 10.02535 
1 1 1   18   10   16 o  192.822   5.2178  2373.51  127.591  2303.18  183.612  2439.18  177.429  190.032   7.6085  195.613   7.1425 -5.581436 10.43569 
1 1 1   18   10   17 o  240.315   5.1642  3695.33  157.063  3507.49  227.967  3865.08  216.702  234.428   7.6575  246.202   6.9310 -11.77403 10.32836 
1 1 1   18   10   18 o  166.631   5.7962  1774.96  122.648  1777.82  174.238  1772.14  172.673  166.760   8.2276  166.502   8.1663 0.2581482 11.59236 
1 1 1   18   10   19 o   55.920   13.329  194.538  112.234  215.871  162.500  175.079  155.199   58.054   19.066   53.787   18.632 4.266296 26.65850 
1 1 1   18   10   20 o  354.404   7.8437  8037.49  353.018   0.0000   0.0000  8037.49  353.018  ?   ?   354.404   7.8437      ?      ? 
1 1 1   18   10   21 o  109.079   8.8945  785.382  119.782  707.413  187.306  839.331  155.805  104.103   14.168  114.055   10.757 -9.952179 17.78902 
1 1 1   18   10   22 o  120.459   9.0717  954.877  136.823  885.841  206.928  1008.51  182.382  116.247   14.017  124.671   11.520 -8.424255 18.14345 
1 1 1   18   10   23 f  214.347   5.7943  2955.17  157.615  3113.12  225.886  2805.31  220.031  219.962   8.0866  208.731   8.3008 11.23106 11.58861 
1 1 1   18   10   24 o   75.301   13.230  408.022  126.097  384.082  180.258  430.963  176.458   72.948   19.198   77.654   18.209 -4.706665 26.45991 
1 1 1   18   10   25 o   43.115   12.906   17.099  127.431  131.410  182.675 -91.2565  177.852   49.713   19.617   36.517   16.777 13.19655 25.81228 
1 1 1   18   10   26 o  228.556   7.0058  3486.55  199.211  3345.10  310.551  3585.46  259.679  223.521   10.941  233.592   8.7539 -10.07137 14.01163 
1 1 1   18   10   27 o   60.215   14.227  294.112  131.480  216.231  198.029  355.508  175.827   54.090   20.677   66.340   19.547 -12.24970 28.45329 
1 1 1   18   12    0 f  228.294   3.9416  3341.75  104.305  3386.61  124.727  3237.43  190.227  230.898   4.2537  225.690   6.6372 5.208328 7.883235 
1 1 1   18   12    1 o  199.448   4.0520  2447.06   92.787  2345.98  108.805  2716.56  177.659  192.170   4.4585  206.727   6.7673 -14.55719 8.103952 
1 1 1   18   12    2 o  161.430   4.1262  1585.78   77.605  1488.69   91.601  1832.68  146.077  153.074   4.7122  169.787   6.7748 -16.71356 8.252451 
1 1 1   18   12    3 o  100.237   5.9793  630.318   69.119  618.201   81.698  660.831  129.648   98.609   6.5241  101.864   10.022 -3.255478 11.95862 
1 1 1   18   12    4 o  295.485   4.2083  5534.66  152.376  5490.41  191.419  5611.20  251.756  293.923   5.1283  297.047   6.6739 -3.123535 8.416639 
1 1 1   18   12    5 o  479.357   4.9145 14824.72  263.423 15062.47  308.153 14179.44  507.670  486.815   4.9845  471.898   8.4714 14.91635 9.829050 
1 1 1   18   12    6 o  150.670   4.4134  1452.37   72.527  1460.54   83.536  1427.36  146.170  151.602   4.3390  149.738   7.6868 1.863297 8.826900 
1 1 1   18   12    7 o  173.979   4.0613  1948.06   76.910  1970.41   88.632  1879.90  154.741  176.094   3.9634  171.864   7.0900 4.230759 8.122561 
1 1 1   18   12    8 o  372.322   4.2084  8956.39  173.064  9104.13  201.150  8535.38  339.565  378.491   4.1849  366.152   7.3027 12.33902 8.416808 
1 1 1   18   12    9 o  117.516   5.1399  912.410   58.353  931.370   64.626  828.715  135.780  121.055   4.2038  113.976   9.3809 7.078888 10.27978 
1 1 1   18   12   10 o  168.226   4.0187  1822.17   67.614  1836.10   75.369  1764.74  153.038  169.990   3.4913  166.462   7.2395 3.527969 8.037357 
1 1 1   18   12   11 o  230.062   3.6652  3276.68   86.305  3217.11   96.322  3519.23  194.356  225.011   3.3709  235.112   6.5095 -10.10022 7.330492 
1 1 1   18   12   12 o  438.031   4.6410 12110.45  219.033 12015.30  250.044 12424.27  454.097  434.701   4.5295  441.361   8.1017 -6.659912 9.281917 
1 1 1   18   12   13 o  354.043   4.0957  7780.11  152.840  7628.17  172.396  8338.13  330.384  346.407   3.9189  361.678   7.1931 -15.27054 8.191399 
1 1 1   18   12   14 o  181.251   5.5987  2096.98  127.085  2096.07  196.698  2097.63  166.503  181.139   8.5509  181.362   7.2293 -0.2239380 11.19733 
1 1 1   18   12   15 o   55.127   12.602  191.380  101.005  229.868  147.766  157.626  138.381   59.075   18.040   51.180   17.602 7.894844 25.20439 
1 1 1   18   12   16 o  228.789   5.3112  3368.64  152.745  3133.76  228.076  3559.66  205.682  221.390   8.1123  236.187   6.8574 -14.79732 10.62234 
1 1 1   18   12   17 o  301.432   5.2747  5795.95  201.692  6024.54  293.765  5592.10  277.409  307.025   7.5344  295.839   7.3839 11.18610 10.54938 
1 1 1   18   12   18 o  170.746   7.1076  1897.08  152.208  1613.90  220.353  2155.49  210.494  158.208   10.968  183.284   9.0435 -25.07639 14.21528 
1 1 1   18   12   19 o  202.550   6.0901  2638.76  156.244  2468.04  223.668  2801.46  218.352  196.043   8.9841  209.056   8.2246 -13.01286 12.18027 
1 1 1   18   12   20 o   89.847   12.156  568.226  132.544  419.298  199.550  685.803  177.307   77.315   20.128  102.379   13.638 -25.06405 24.31255 
1 1 1   18   12   21 o  326.132   5.3814  6830.74  222.839  6855.22  318.340  6807.22  312.040  326.674   7.6736  325.590   7.5468 1.083954 10.76278 
1 1 1   18   12   22 o  325.661   7.9040  6840.21  326.883  6840.21  326.883   0.0000   0.0000  325.661   7.9040  ?   ?       ?      ? 
1 1 1   18   12   23 o   80.288   12.524  469.392  130.890  678.490  185.508  262.095  184.708   99.934   14.617   60.642   20.342 39.29274 25.04888 
1 1 1   18   12   24 o  165.696   11.752  1845.42  247.292   0.0000   0.0000  1845.42  247.292  ?   ?   165.696   11.752      ?      ? 
1 1 1   18   14    0 o  353.014   4.1945  7928.45  168.502  7929.87  198.348  7924.78  319.410  353.214   4.4219  352.814   7.1289 0.4002991 8.388991 
1 1 1   18   14    1 f  435.097   4.6831 12064.36  229.727 12083.34  268.999 12013.23  441.557  435.962   4.8587  434.232   8.0073 1.730499 9.366143 
1 1 1   18   14    2 o  448.597   4.7534 12993.04  242.229 13229.81  286.170 12394.69  454.923  456.160   4.9400  441.034   8.1225 15.12570 9.506742 
1 1 1   18   14    3 f  278.361   3.9954  4844.60  125.349  4749.47  145.996  5111.40  244.497  273.361   4.2056  283.362   6.7945 -10.00104 7.990723 
1 1 1   18   14    4 o  378.016   4.3246  9076.34  182.677  9058.12  212.632  9127.69  356.952  377.485   4.4356  378.547   7.4253 -1.061920 8.649225 
1 1 1   18   14    5 o  106.390   5.9956  762.299   69.247  805.256   80.735  642.758  134.681  112.506   5.6508  100.275   10.576 12.23126 11.99129 
1 1 1   18   14    6 o  316.601   4.0323  6393.45  142.202  6410.61  165.425  6344.89  278.310  317.574   4.1018  315.629   6.9434 1.945038 8.064524 
1 1 1   18   14    7 o  535.117   5.3695 18114.10  313.902 17982.86  360.720 18523.53  637.130  531.671   5.3426  538.563   9.3157 -6.891724 10.73893 
1 1 1   18   14    8 o  187.968   3.9973  2246.82   82.835  2245.10   95.761  2251.92  165.092  187.931   4.0125  188.005   6.9148 -0.7455444E-01 7.994622 
1 1 1   18   14    9 o   90.941   6.4815  536.533   58.762  541.651   65.487  515.382  133.125   92.251   5.5899   89.630   11.696 2.621376 12.96295 
1 1 1   18   14   10 o   42.295   9.5641  122.803   53.681  144.568   58.192  -1.4660  139.047   46.634   10.117   37.956   16.234 8.677628 19.12822 
1 1 1   18   14   11 o  275.348   3.9042  4782.06  111.559  4749.24  125.465  4905.96  243.797  273.328   3.6146  277.368   6.9214 -4.040009 7.808416 
1 1 1   18   14   12 o  176.102   4.0812  2003.90   71.247  2021.32   79.232  1930.34  162.848  178.312   3.4990  173.891   7.3744 4.420654 8.162393 
1 1 1   18   14   13 o  369.479   4.3218  8826.62  172.168  8940.65  197.656  8468.03  350.509  374.894   4.1517  364.064   7.5813 10.82968 8.643640 
1 1 1   18   14   14 o  191.113   6.9063  2350.33  165.986  2302.38  251.484  2387.34  220.949  189.227   10.465  192.998   9.0149 -3.771347 13.81269 
1 1 1   18   14   15 o  156.207   8.5393  1638.83  161.597  1120.05  234.116  2110.91  223.332  131.170   14.055  181.245   9.7030 -50.07518 17.07868 
1 1 1   18   14   16 o  189.163   6.1151  2251.70  144.895  2557.58  228.986  2047.44  187.121  199.586   9.0345  178.740   8.2437 20.84546 12.23029 
1 1 1   18   14   17 o  121.411   8.2079  954.293  125.080  772.081  172.274  1157.44  181.899  108.981   12.448  133.840   10.702 -24.85976 16.41585 
1 1 1   18   14   18 o   94.239   10.758  597.527  124.607  505.879  175.143  691.466  177.320   85.834   16.669  102.643   13.603 -16.80939 21.51502 
1 1 1   18   14   19 o   94.408   11.705  690.728  129.057  264.959  192.149  1040.65  174.196   62.408   20.744  126.409   10.851 -64.00118 23.41075 
1 1 1   18   14   20 o  120.530   8.5937  923.506  128.721  1146.36  210.223  789.838  162.810  131.556   12.583  109.504   11.708 22.05238 17.18746 
1 1 1   18   16    0 o  332.495   4.3313  7084.40  165.085  7143.94  195.664  6937.30  307.542  335.148   4.5972  329.843   7.3421 5.304871 8.662619 
1 1 1   18   16    1 o  203.935   4.4884  2674.96  102.814  2705.17  120.437  2593.80  197.411  206.233   4.5986  201.637   7.7095 4.596024 8.976786 
1 1 1   18   16    2 o  271.439   4.1715  4728.21  130.501  4780.08  155.342  4603.79  240.574  274.153   4.4619  268.725   7.0496 5.427979 8.342981 
1 1 1   18   16    3 o  220.453   4.2941  3134.46  108.971  3189.98  129.839  3002.17  200.420  223.945   4.5655  216.961   7.2741 6.983871 8.588192 
1 1 1   18   16    4 o  336.287   4.2842  7210.37  163.892  7218.71  192.941  7188.75  310.586  336.876   4.5100  335.698   7.2854 1.178284 8.568411 
1 1 1   18   16    5 o  242.571   4.1199  3796.51  113.805  3860.27  134.609  3636.74  213.094  246.359   4.3026  238.783   7.0273 7.575851 8.239871 
1 1 1   18   16    6 o  109.950   6.4806  815.762   77.532  860.985   90.494  690.952  150.337  116.235   6.1307  103.665   11.420 12.57003 12.96126 
1 1 1   18   16    7 o  193.058   4.4025  2333.31   94.825  2288.13  109.832  2465.58  187.932  189.630   4.5608  196.487   7.5316 -6.856949 8.804928 
1 1 1   18   16    8 o  202.740   4.3479  2545.07   98.302  2466.91  113.540  2779.07  196.448  196.889   4.5410  208.591   7.4161 -11.70203 8.695881 
1 1 1   18   16    9 o  375.625   4.7721  8688.35  207.663  8264.57  244.717  9778.59  392.511  360.194   5.3500  391.056   7.9038 -30.86234 9.544208 
1 1 1   18   16   10 o  195.482   5.4730  2334.22  103.142  2278.35  112.926  2615.31  253.317  189.178   4.7005  201.787   9.8854 -12.60887 10.94604 
1 1 1   18   16   11 o  180.537   6.1911  2260.43  101.623  2344.19  111.478  1848.55  247.215  191.884   4.5748  169.190   11.506 22.69414 12.38210 
1 1 1   18   16   12 o  178.977   4.9132  2020.12   83.468  2006.54   91.380  2088.53  205.068  177.569   4.0523  180.385   8.9520 -2.816422 9.826463 
1 1 1   18   16   13 o  179.269   4.9268  2202.77   77.840  2266.42   84.629  1853.16  198.349  188.755   3.5306  169.784   9.1993 18.97133 9.853565 
1 1 1   18   16   14 o  116.929   9.1268  904.318  133.446  791.819  198.182  997.635  180.498  109.852   14.206  124.006   11.462 -14.15426 18.25352 
1 1 1   18   16   15 f  133.325   7.8238  1160.92  131.666  1284.02  184.311  1032.62  188.157  140.781   10.309  125.869   11.771 14.91221 15.64753 
1 1 1   18   16   16 o   55.715   13.717  199.337  120.353  153.826  176.457  238.923  164.572   52.232   19.621   59.197   19.173 -6.964363 27.43357 
1 1 1   18   18    0 o  195.173   5.8714  2138.23  135.103  1358.83  163.278  3830.42  240.587  145.610   8.8300  244.735   7.7410 -99.12578 11.74276 
1 1 1   18   18    1 o  371.277   4.6883  8379.53  191.630  7988.07  219.123  9652.49  395.142  354.177   4.8718  388.378   8.0116 -34.20074 9.376605 
1 1 1   18   18    3 o  173.058   6.4830  2016.48  135.418  2398.21  178.371  1497.11  208.057  193.691   7.2517  152.426   10.748 41.26541 12.96598 
1 1 1   18   18    4 o  250.601   4.9181  4083.20  146.405  4222.44  179.669  3808.03  252.570  257.366   5.4972  243.835   8.1566 13.53133 9.836119 
1 1 1   18   18    5 o   82.760   9.0896  407.680   89.450  347.466  106.271  554.016  165.669   73.338   11.411   92.182   14.152 -18.84332 18.17912 
1 1 1   18   18    6 o  250.146   4.3773  3864.32  124.344  3713.53  144.887  4285.87  242.251  241.462   4.7250  258.831   7.3701 -17.36943 8.754626 
1 1 1   18   18    7 f  168.505   5.1386  1769.96   99.742  1708.77  117.431  1928.42  188.980  163.667   5.6500  173.343   8.5848 -9.676666 10.27719 
1 1 1   18   18    8 o  125.570   6.5450  1091.17   90.028  1184.82  106.474  856.291  168.620  136.199   6.1559  114.940   11.552 21.25900 13.08992 
1 1 1   18   18    9 f  167.274   5.1323  1810.16   95.728  1830.05  111.715  1755.20  185.706  169.382   5.1936  165.167   8.8537 4.215179 10.26457 
1 1 1   18   18   10 o  205.176   4.6880  2803.01  104.555  2914.40  121.414  2483.37  205.670  213.839   4.4710  196.513   8.2414 17.32582 9.376083 
1 1 1   18   18   11 o  239.668   4.4628  3727.57  113.014  3769.12  128.615  3586.78  236.736  243.198   4.1644  236.138   7.8944 7.060181 8.925508 
1 1 1   18   18   12 o  241.332   4.5126  3718.83  118.117  3704.62  135.435  3764.00  241.414  240.979   4.4256  241.684   7.8657 -0.7054443 9.025226 
1 1 1   18   18   13 o   26.593   11.051   13.543   61.510   13.543   61.510   0.0000   0.0000   26.593   11.051  ?   ?       ?      ? 
1 1 1   18   20    0 o  148.900   6.4296  1486.08  112.275  1591.57  137.914  1278.79  193.337  157.560   6.8926  140.240   10.856 17.32028 12.85916 
1 1 1   18   20    1 o  217.789   5.0154  3082.23  129.590  3156.89  158.455  2931.43  225.195  222.245   5.6143  213.333   8.3123 8.912537 10.03072 
1 1 1   18   20    2 o  141.419   6.5446  1282.53  107.561  1266.60  128.161  1320.46  197.827  140.457   7.1851  142.382   10.941 -1.924942 13.08928 
1 1 1   18   20    3 o   46.720   12.191   63.317   93.544 -11.9550  110.550  253.088  175.534   32.625   14.215   60.814   19.808 -28.18895 24.38126 
1 1 1   18   20    4 o  147.134   6.3164  1378.92  107.971  1347.45  128.303  1455.30  199.869  144.837   6.9755  149.431   10.532 -4.593735 12.63287 
1 1 1   18   20    5 o  141.732   6.7818  1290.42  122.066  1290.42  122.066   0.0000   0.0000  141.732   6.7818  ?   ?       ?      ? 
1 1 1   18   20    6 o   94.736   9.6275  660.894   96.532  737.067  115.553  484.942  175.621  106.680   8.5294   82.792   17.263 23.88840 19.25502 
1 1 1   18   20    7 o  233.982   4.6163  3530.16  123.249  3542.56  145.548  3498.71  231.700  235.366   4.8695  232.597   7.8441 2.769028 9.232678 
1 1 1   18   20    8 o  116.485   9.1787  885.635  135.777  885.635  135.777   0.0000   0.0000  116.485   9.1787  ?   ?       ?      ? 
1 1 1   18   20    9 o   47.892   16.059  155.429  115.116  155.429  115.116   0.0000   0.0000   47.892   16.059  ?   ?       ?      ? 
1 1 1   18   22    0 o  138.536   8.6791  1270.08  140.168  1214.05  166.615  1405.77  259.274  135.227   9.7023  141.846   14.393 -6.619064 17.35819 
1 1 1   18   22    1 o   67.971   14.831  291.043  128.945  191.619  148.630  593.591  259.273   51.784   18.217   84.157   23.408 -32.37232 29.66127 
1 1 1   18   22    2 o   36.035   11.825 -88.2427  126.762 -39.8650  155.947 -182.4554  217.626   35.645   16.116   36.425   17.309 -0.7801208 23.65038 
1 1 1   18   22    3 o   44.096   17.380  110.485  143.234  110.485  143.234   0.0000   0.0000   44.096   17.380  ?   ?       ?      ? 
1 1 1   18   22    4 o   70.962   14.636  367.216  127.511  367.216  127.511   0.0000   0.0000   70.962   14.636  ?   ?       ?      ? 
1 1 1   18   22    5 o   46.315   16.815  148.598  127.712  148.598  127.712   0.0000   0.0000   46.315   16.815  ?   ?       ?      ? 
1 1 1   18   22    6 o  101.433   10.428  697.805  134.331  697.805  134.331   0.0000   0.0000  101.433   10.428  ?   ?       ?      ? 
1 1 1   18   22    7 o   72.536   14.183  387.661  125.962  387.661  125.962   0.0000   0.0000   72.536   14.183  ?   ?       ?      ? 
1 1 1   19    1    0 o  350.099   3.2908  7779.71  146.257  7964.79  210.354  7606.50  203.492  354.127   4.6775  346.071   4.6303 8.055664 6.581671 
1 1 1   19    1    1 o  344.704   3.2594  7542.60  142.634  7701.47  204.855  7393.11  198.715  348.225   4.6324  341.183   4.5863 7.041809 6.518729 
1 1 1   19    1    2 o  632.532   5.1697 25419.91  415.267 25413.17  587.292 25426.65  587.262  632.448   7.3123  632.616   7.3099 -0.1677856 10.33945 
1 1 1   19    1    3 o  602.661   4.9568 23074.36  379.363 23033.92  535.707 23115.04  537.297  602.132   7.0058  603.191   7.0143 -1.059021 9.913690 
1 1 1   19    1    4 o  657.942   5.3538 27502.98  447.320 27638.09  635.537 27370.33  629.715  659.542   7.5879  656.341   7.5550 3.200867 10.70769 
1 1 1   19    1    5 o  439.658   3.8379 12274.45  214.247 12108.13  299.608 12448.49  306.490  436.612   5.4036  442.704   5.4516 -6.092621 7.675838 
1 1 1   19    1    6 o  254.299   2.8119  4094.18   90.651  4326.03  133.063  3893.37  123.834  260.996   4.0146  247.602   3.9383 13.39447 5.623825 
1 1 1   19    1    7 o  146.150   3.4774  1361.87   60.677  1341.08  105.276  1372.21   74.251  145.305   5.7052  146.995   3.9776 -1.689285 6.954888 
1 1 1   19    1    8 o  676.486   5.4977 29068.53  472.235 29406.58  674.718 28743.91  661.170  680.339   7.8094  672.633   7.7403 7.705872 10.99543 
1 1 1   19    1    9 o  963.432   9.3628 58686.29  1071.36 58075.57  1298.89 59986.08  1894.91  955.890   10.700  970.975   15.367 -15.08502 18.72567 
1 1 1   19    1   10 o  1126.74   8.8518 80723.69  1266.55 80413.60  1783.61 81039.09  1798.83  1124.56   12.489  1128.92   12.547 -4.357788 17.70365 
1 1 1   19    1   11 o  1837.64   17.531 215850.30  3862.24 215086.80  6661.76 216236.91  4740.20  1833.43   28.612  1841.84   20.266 -8.411377 35.06205 
1 1 1   19    1   12 o  1183.61   9.2836 89077.56  1395.09 90258.55  1998.70 87955.51  1948.19  1191.25   13.212  1175.97   13.045 15.27124 18.56714 
1 1 1   19    1   13 o  236.592   2.9928  3555.01   89.918  3531.71  127.271  3578.23  127.055  235.817   4.2499  237.366   4.2150 -1.548538 5.985606 
1 1 1   19    1   14 o  250.047   3.0164  3970.94   95.779  3961.67  134.728  3980.40  136.187  249.752   4.2479  250.342   4.2838 -0.5892181 6.032811 
1 1 1   19    1   15 o  865.832   8.4761 47889.52  881.278 47376.51  1512.64 48153.14  1084.31  861.825   13.821  869.840   9.8161 -8.014771 16.95215 
1 1 1   19    1   16 o  274.728   3.1037  4796.58  108.265  4744.67  153.949  4847.38  152.284  273.255   4.4364  276.201   4.3416 -2.945892 6.207344 
1 1 1   19    1   17 o  323.064   3.3083  6626.96  135.653  6854.55  195.823  6416.98  188.095  328.390   4.6956  317.738   4.6616 10.65201 6.616580 
1 1 1   19    1   18 o  242.447   3.1085  3733.25   95.614  3506.17  133.344  3973.56  137.176  234.861   4.4708  250.034   4.3202 -15.17349 6.217065 
1 1 1   19    1   19 o  349.738   3.4643  7777.97  153.856  7800.14  218.697  7756.23  216.489  350.230   4.9171  349.247   4.8812 0.9833069 6.928512 
1 1 1   19    1   20 o  150.611   3.5393  1438.86   67.278  1229.35   92.570  1673.44   97.949  139.009   5.2438  162.213   4.7549 -23.20399 7.078605 
1 1 1   19    1   21 f  697.784   5.7281 31078.98  507.529 31386.25  724.568 30783.01  711.130  701.153   8.1375  694.416   8.0640 6.736816 11.45629 
1 1 1   19    1   22 o  330.001   3.4664  6930.94  145.259  6816.82  204.874  7046.30  205.984  327.266   4.9296  332.737   4.8748 -5.471619 6.932830 
1 1 1   19    1   23 o  218.488   3.6072  3039.13  100.060  2941.85  140.347  3139.68  142.694  214.928   5.1420  222.047   5.0604 -7.119461 7.214411 
1 1 1   19    1   24 f  241.176   3.9308  3701.82  120.280  3563.09  165.815  3855.89  174.740  236.421   5.5228  245.930   5.5950 -9.509323 7.861650 
1 1 1   19    1   25 o  241.179   3.5822  3710.29  109.615  3872.89  154.466  3545.33  155.579  246.530   4.9338  235.829   5.1949 10.70114 7.164475 
1 1 1   19    1   26 o  454.762   4.1864 13216.50  241.770 13230.45  342.366 13202.63  341.464  454.999   5.9252  454.525   5.9157 0.4740906 8.372804 
1 1 1   19    1   27 o  130.703   4.6879  1095.68   77.776  1078.93  108.068  1113.69  112.024  129.681   6.5621  131.725   6.6967 -2.044296 9.375877 
1 1 1   19    1   28 o  330.064   3.6439  6978.02  152.733  6964.01  215.095  6992.28  216.910  329.739   5.1367  330.389   5.1698 -0.6501770 7.287850 
1 1 1   19    1   30 o  166.255   4.3767  1796.89   92.294  1715.79  131.445  1875.75  129.621  162.440   6.3720  170.069   6.0017 -7.628845 8.753397 
1 1 1   19    1   31 o   38.952   12.070   11.830  112.523  130.316  182.502 -60.8348  142.921   45.862   19.044   32.043   14.835 13.81876 24.14013 
1 1 1   19    3    0 f  1029.71   9.9120 67920.07  1234.07 68968.70  1533.59 65993.63  2078.62  1041.42   11.596  1018.00   16.079 23.41571 19.82394 
1 1 1   19    3    1 o  585.171   5.9706 21466.81  411.136 20998.06  493.120 22535.58  744.608  574.918   6.7541  595.424   9.8474 -20.50647 11.94113 
1 1 1   19    3    2 o  123.295   3.0834  966.324   48.215  985.511   66.901  945.588   69.549  124.570   4.2290  122.019   4.4883 2.550743 6.166820 
1 1 1   19    3    3 o  940.914   7.4452 56185.94  888.448 54507.25  1219.19 58086.77  1297.36  925.971   10.368  955.857   10.688 -29.88586 14.89046 
1 1 1   19    3    4 o  582.074   4.8224 21508.80  356.297 21996.98  513.686 21056.20  494.615  588.432   6.8742  575.716   6.7652 12.71606 9.644846 
1 1 1   19    3    5 o  173.295   2.8123  1907.44   61.875  1919.97   86.682  1894.42   88.350  173.875   3.9257  172.714   4.0281 1.161453 5.624659 
1 1 1   19    3    6 f  462.574   4.0059 13582.51  235.233 13903.17  338.316 13282.39  327.298  467.856   5.6942  457.293   5.6360 10.56277 8.011772 
1 1 1   19    3    7 o  244.183   3.6080  3831.89  105.132  3653.55  181.029  3922.65  129.140  239.835   5.9437  248.532   4.0917 -8.697144 7.215942 
1 1 1   19    3    8 o  251.609   2.9647  4020.33   94.727  4044.99  134.172  3995.82  133.757  252.378   4.1863  250.839   4.1990 1.538895 5.929311 
1 1 1   19    3    9 o  232.171   3.0912  3410.16   90.954  3716.89  133.137  3141.74  124.549  241.924   4.3335  222.419   4.4095 19.50450 6.182499 
1 1 1   19    3   10 o  831.724   6.6632 43884.86  702.863 42573.62  964.679 45368.57  1026.16  818.514   9.2807  844.934   9.5635 -26.42010 13.32633 
1 1 1   19    3   11 o  355.215   3.4577  8005.69  155.894  7766.86  216.210  8264.29  224.986  349.703   4.8685  360.727   4.9113 -11.02402 6.915462 
1 1 1   19    3   12 o  791.635   6.3585 39821.04  639.182 39480.18  897.159 40172.39  910.876  788.197   8.9631  795.073   9.0214 -6.875427 12.71702 
1 1 1   19    3   13 o  1054.83   10.198 70757.19  1286.02 71041.46  2235.65 70616.61  1572.16  1055.96   16.672  1053.69   11.749 2.267090 20.39572 
1 1 1   19    3   14 o  834.796   6.6837 44157.18  706.581 46434.43  1047.66 42257.00  956.998  854.438   9.6552  815.155   9.2447 39.28296 13.36741 
1 1 1   19    3   15 o  168.818   3.1322  1807.38   67.016  1975.49   96.869  1653.05   92.811  176.336   4.3258  161.300   4.5309 15.03563 6.264307 
1 1 1   19    3   16 o   51.931   7.6824  177.973   48.947  187.310   71.942  169.926   66.789   53.203   11.011   50.659   10.716 2.544704 15.36488 
1 1 1   19    3   17 o  207.742   3.0378  2742.85   80.070  2741.84  115.708  2743.79  110.916  207.701   4.3868  207.783   4.2035 -0.8192444E-01 6.075595 
1 1 1   19    3   18 o  318.860   3.2970  6459.71  133.428  6574.91  192.611  6353.41  185.011  321.587   4.7163  316.133   4.6084 5.454254 6.594029 
1 1 1   19    3   19 o  421.772   3.8479 11317.58  206.092 11274.18  292.609 11360.30  290.319  420.965   5.4735  422.579   5.4099 -1.614166 7.695852 
1 1 1   19    3   20 o  122.148   3.8711  948.166   59.996  1005.15   86.535  895.426   83.254  125.680   5.4219  118.617   5.5269 7.062698 7.742281 
1 1 1   19    3   21 o  415.568   3.8538 10993.01  203.368 10824.30  286.132 11165.24  289.102  412.343   5.4642  418.792   5.4359 -6.449249 7.707616 
1 1 1   19    3   22 o   80.891   6.1079  427.104   61.033  316.824   86.901  534.452   85.738   70.294   9.7348   91.488   7.3796 -21.19337 12.21575 
1 1 1   19    3   23 o  190.075   3.7531  2296.55   90.475  2206.15  124.139  2398.97  132.136  186.100   5.2527  194.050   5.3620 -7.949203 7.506158 
1 1 1   19    3   24 o  186.506   3.8514  2218.91   91.141  2120.02  129.189  2316.89  128.600  182.348   5.5789  190.663   5.3112 -8.315643 7.702808 
1 1 1   19    3   25 o   65.943   8.6696  310.074   69.603  127.511   99.455  485.329   97.444   44.985   14.923   86.901   8.8298 -41.91602 17.33928 
1 1 1   19    3   26 o  250.952   4.9407  4018.00  157.456   0.0000   0.0000  4018.00  157.456  ?   ?   250.952   4.9407      ?      ? 
1 1 1   19    3   27 o  189.146   3.7625  2288.66   90.368  2326.37  127.895  2251.07  127.705  190.712   5.2808  187.580   5.3610 3.132675 7.525044 
1 1 1   19    3   28 o   25.679   8.5849 -106.7845   73.458 -97.3545   98.263 -118.7311  110.600   25.168   11.861   26.189   12.414 -1.021149 17.16971 
1 1 1   19    3   29 o   27.210   9.4930 -287.2236   92.946 -374.1202  110.320 -74.6577  172.544   18.436   9.3414   35.984   16.529 -17.54764 18.98608 
1 1 1   19    3   30 o   80.143   11.987  505.786  118.927  394.952  182.365  587.802  156.874   69.254   19.763   91.031   13.570 -21.77747 23.97316 
1 1 1   19    3   31 o   84.672   16.920  571.670  175.568   0.0000   0.0000  571.670  175.568  ?   ?    84.672   16.920      ?      ? 
1 1 1   19    5    0 o  575.932   6.7968 21072.10  497.114 21072.10  497.114   0.0000   0.0000  575.932   6.7968  ?   ?       ?      ? 
1 1 1   19    5    1 o  812.913   6.5193 41976.03  672.788 42829.53  966.938 41175.06  936.713  820.914   9.2752  804.911   9.1639 16.00293 13.03865 
1 1 1   19    5    2 o  1315.57   10.284 110050.80  1717.11 112515.80  2481.74 107787.10  2378.29  1329.66   14.697  1301.48   14.390 28.17920 20.56872 
1 1 1   19    5    3 o  958.760   7.5953 58436.13  924.760 58342.83  1305.70 58530.04  1309.93  957.994   10.733  959.527   10.750 -1.533936 15.19053 
1 1 1   19    5    4 o  695.194   5.6522 30704.99  498.969 30560.70  701.304 30852.92  710.076  693.541   7.9626  696.846   8.0240 -3.304626 11.30432 
1 1 1   19    5    5 o  1048.78   8.2650 69892.74  1100.33 71189.19  1583.79 68683.13  1529.83  1058.16   11.786  1039.39   11.590 18.76978 16.52993 
1 1 1   19    5    6 f  427.763   3.8465 11603.33  208.780 12094.46  302.807 11158.28  288.250  436.377   5.4642  419.149   5.4153 17.22818 7.693043 
1 1 1   19    5    7 o  905.667   7.2081 52128.97  829.008 51936.72  1167.94 52324.18  1176.90  903.986   10.174  907.349   10.214 -3.362427 14.41621 
1 1 1   19    5    8 f  837.457   6.7062 44558.83  713.103 45077.10  1019.06 44061.54  998.224  842.224   9.5278  832.689   9.4399 9.535156 13.41235 
1 1 1   19    5    9 o  540.166   4.6203 18533.83  316.935 18673.67  449.498 18395.57  446.942  542.192   6.5282  538.139   6.5400 4.052856 9.240658 
1 1 1   19    5   10 o  1088.92   8.5787 75391.16  1186.22 74876.92  1666.30 75919.55  1689.09  1085.16   12.092  1092.68   12.173 -7.518799 17.15739 
1 1 1   19    5   11 o  960.455   7.6146 58632.38  928.597 57982.25  1298.78 59312.30  1328.19  955.015   10.709  965.894   10.828 -10.87830 15.22922 
1 1 1   19    5   12 o  598.199   4.9807 22730.85  378.314 22460.29  529.489 23013.01  540.721  594.565   7.0126  601.833   7.0749 -7.268005 9.961458 
1 1 1   19    5   13 o  328.009   3.3416  6787.03  138.669  6287.51  186.538  7404.03  207.318  314.614   4.6689  341.404   4.7818 -26.78973 6.683101 
1 1 1   19    5   14 o  920.748   7.3383 53991.16  857.883 54680.97  1228.01 53333.57  1198.98  926.474   10.437  915.022   10.318 11.45178 14.67657 
1 1 1   19    5   15 o  631.282   6.3872 25333.77  482.102 25566.12  838.882 25219.19  589.103  633.072   10.434  629.492   7.3693 3.580994 12.77434 
1 1 1   19    5   16 o  321.958   3.2692  6586.07  133.638  6432.86  186.861  6746.48  191.199  318.127   4.6253  325.790   4.6214 -7.662689 6.538395 
1 1 1   19    5   17 o  261.507   3.0655  4348.11  101.760  4208.56  144.042  4487.14  143.780  257.312   4.4081  265.701   4.2612 -8.389130 6.130962 
1 1 1   19    5   18 o  227.532   3.0094  3288.99   86.928  3399.38  124.626  3184.40  121.312  231.248   4.2438  223.815   4.2681 7.433136 6.018833 
1 1 1   19    5   19 o  437.745   3.9572 12188.26  219.870 12386.44  316.930 12004.38  305.283  441.163   5.6570  434.327   5.5349 6.835754 7.914330 
1 1 1   19    5   20 o  155.032   3.3683  1529.06   66.314  1539.75   93.759  1518.35   93.806  155.576   4.7456  154.489   4.7814 1.086685 6.736690 
1 1 1   19    5   21 o  211.963   3.1809  2853.21   85.505  2955.19  124.938  2763.37  117.270  215.513   4.5650  208.413   4.4308 7.099304 6.361729 
1 1 1   19    5   22 o  105.780   5.0340  716.800   67.334  744.598   92.218  685.055   98.547  108.016   6.7228  103.544   7.4945 4.472267 10.06796 
1 1 1   19    5   23 o  231.296   5.0848  3408.19  149.354  3408.19  149.354   0.0000   0.0000  231.296   5.0848  ?   ?       ?      ? 
1 1 1   19    5   24 o  185.023   3.5413  2179.86   83.173  2120.64  115.603  2243.43  119.757  182.422   4.9901  187.624   5.0261 -5.202133 7.082632 
1 1 1   19    5   25 o  137.323   4.1491  1203.87   72.276  1286.01  103.674  1126.19  100.813  141.894   5.7534  132.753   5.9799 9.141006 8.298296 
1 1 1   19    5   26 o  138.549   4.0069  1219.95   70.271  1115.97   95.060  1345.23  104.343  132.082   5.6673  145.016   5.6659 -12.93427 8.013812 
1 1 1   19    5   27 o  169.510   3.6913  1839.93   79.089  1838.79  106.810  1841.33  117.677  169.521   4.9615  169.499   5.4669 0.2175903E-01 7.382648 
1 1 1   19    5   28 o   35.630   11.919 -152.7640  126.836 -84.7967  233.236 -181.3035  151.137   41.881   19.230   29.380   14.087 12.50063 23.83821 
1 1 1   19    5   29 o   39.259   12.164   18.990  111.219   29.865  188.085   13.143  137.915   42.084   18.433   36.434   15.876 5.649792 24.32781 
1 1 1   19    5   30 o  115.259   9.4828  981.857  132.191  809.016  206.805  1101.27  171.893  103.983   15.661  126.536   10.697 -22.55285 18.96569 
1 1 1   19    7    1 o  344.815   4.8361  7551.10  211.767  7551.10  211.767   0.0000   0.0000  344.815   4.8361  ?   ?       ?      ? 
1 1 1   19    7    2 o  297.321   3.9600  5569.16  140.777  5482.19  171.536  5748.58  246.380  293.808   4.5974  300.834   6.4491 -7.026886 7.920080 
1 1 1   19    7    3 o  203.072   4.7193  2618.98  121.704  2618.98  121.704   0.0000   0.0000  203.072   4.7193  ?   ?       ?      ? 
1 1 1   19    7    6 f  950.062   7.5659 57373.23  912.815 57371.83  1287.64 57374.65  1294.22  950.053   10.673  950.071   10.727 -0.1831055E-01 15.13173 
1 1 1   19    7    7 o  732.297   5.9853 34074.19  556.603 34201.76  785.906 33945.81  788.411  733.674   8.4351  730.920   8.4939 2.753906 11.97065 
1 1 1   19    7    8 o  702.968   5.7559 31398.03  513.839 31538.44  726.969 31257.85  726.387  704.539   8.1252  701.396   8.1551 3.142639 11.51188 
1 1 1   19    7    9 o  305.290   3.3940  5884.98  130.666  5646.52  173.347  6198.76  198.844  298.173   4.5780  312.407   5.0120 -14.23392 6.788090 
1 1 1   19    7   10 o  799.940   6.4508 40666.75  655.213 40331.84  917.230 41015.73  936.285  796.582   9.0671  803.297   9.1781 -6.715332 12.90159 
1 1 1   19    7   11 o  263.576   3.2279  4413.55  107.718  4422.98  146.824  4402.55  158.519  263.884   4.3813  263.267   4.7414 0.6172485 6.455772 
1 1 1   19    7   12 f  246.939   3.1176  3813.33   96.794  3465.89  126.473  4304.58  150.387  233.577   4.2637  260.301   4.5494 -26.72318 6.235103 
1 1 1   19    7   13 o  427.115   3.8844 11594.41  210.646 11502.94  294.405 11690.35  301.520  425.393   5.4498  428.836   5.5366 -3.443695 7.768805 
1 1 1   19    7   14 o  458.219   4.0716 13286.92  236.116 12606.56  318.288 14119.54  352.105  445.254   5.6290  471.184   5.8844 -25.92990 8.143248 
1 1 1   19    7   15 o  172.832   3.1439  1886.58   68.725  1770.76   92.263  2030.94  103.008  166.915   4.3527  178.749   4.5378 -11.83476 6.287871 
1 1 1   19    7   16 o  164.516   3.1781  1702.71   65.573  1614.49   85.318  1830.03  102.494  159.375   4.2154  169.657   4.7572 -10.28186 6.356133 
1 1 1   19    7   17 o  453.542   4.0812 13086.87  235.033 13257.45  335.686 12922.83  329.182  456.437   5.7913  450.647   5.7520 5.790344 8.162415 
1 1 1   19    7   18 o  145.030   3.3331  1348.89   60.399  1406.94   79.642  1270.31   92.663  148.757   4.2158  141.303   5.1639 7.454056 6.666270 
1 1 1   19    7   19 o  313.667   3.3216  6258.99  132.312  6278.94  187.262  6239.09  186.973  314.167   4.6937  313.167   4.7014 0.9995728 6.643283 
1 1 1   19    7   20 f  239.127   3.1129  3629.47   94.416  3462.83  129.721  3817.20  137.682  233.306   4.3783  244.948   4.4262 -11.64188 6.225794 
1 1 1   19    7   21 o  276.292   3.1933  4838.31  111.791  5298.52  163.805  4437.09  152.947  288.546   4.4703  264.038   4.5614 24.50781 6.386666 
1 1 1   19    7   22 o  221.399   3.2768  3130.90   91.795  3272.35  126.437  2973.24  133.487  226.735   4.3911  216.063   4.8650 10.67162 6.553621 
1 1 1   19    7   23 o  205.641   3.2260  2698.36   84.032  2781.19  115.912  2606.60  121.998  209.000   4.3672  202.283   4.7492 6.716782 6.451916 
1 1 1   19    7   24 o  114.723   3.7185  824.321   53.536  744.457   69.501  940.847   83.952  108.036   5.0658  121.410   5.4450 -13.37464 7.437088 
1 1 1   19    7   25 o  195.401   5.3754  2536.56   96.156  2338.48  239.433  2574.66  104.995  189.818   9.9327  200.985   4.1137 -11.16690 10.75088 
1 1 1   19    7   26 o   48.776   13.052   74.415  118.597  273.041  190.047 -52.2682  151.777   62.032   20.631   35.520   15.994 26.51222 26.10437 
1 1 1   19    7   27 o  131.460   9.0514  1171.88  149.915  1154.21  225.197  1185.95  200.900  130.015   13.639  132.905   11.903 -2.890350 18.10284 
1 1 1   19    7   28 o  123.666   8.1210  1042.59  126.930  1109.57  175.648  969.377  183.631  128.319   10.779  119.013   12.150 9.306366 16.24208 
1 1 1   19    7   29 o   43.404   13.035   54.764  123.944  189.286  201.805 -26.7135  157.057   51.244   20.490   35.563   16.118 15.68096 26.06977 
1 1 1   19    9    0 f  271.765   4.9612  4654.27  170.528  5221.34  254.238  4190.49  229.919  286.693   6.9831  256.836   7.0492 29.85645 9.922414 
1 1 1   19    9    1 o  601.785   6.2235 22778.15  442.051 22390.00  532.134 23642.45  794.058  593.676   7.0582  609.893   10.252 -16.21710 12.44698 
1 1 1   19    9    2 o  263.485   3.9982  4467.60  115.592  4526.51  133.777  4294.03  229.637  266.978   3.9457  259.991   6.9551 6.987000 7.996424 
1 1 1   19    9    3 o  459.103   4.7705 13228.83  237.573 13083.81  271.792 13698.44  489.085  453.886   4.7153  464.321   8.2945 -10.43488 9.541098 
1 1 1   19    9    4 o  300.484   3.9034  5690.69  127.192  5650.56  145.629  5819.75  261.172  298.291   3.8444  302.677   6.7947 -4.385590 7.806894 
1 1 1   19    9    5 o  909.625   8.3160 53321.81  848.294 54149.95  993.787 51098.26  1628.41  923.129   8.4772  896.120   14.309 27.00964 16.63190 
1 1 1   19    9    6 o  757.316   7.0279 37097.03  599.373 37875.73  704.879 35064.06  1138.92  772.115   7.1888  742.516   12.078 29.59888 14.05581 
1 1 1   19    9    7 o  205.790   3.9085  2704.56   82.546  2714.76   92.698  2665.50  181.409  206.756   3.5305  204.825   6.9743 1.931061 7.816939 
1 1 1   19    9    8 o  945.965   8.7016 56959.91  903.835 56961.13  1043.00 56956.23  1811.12  946.566   8.6767  945.363   15.086 1.203247 17.40313 
1 1 1   19    9    9 o   87.919   6.1199  429.780   46.539  409.820   49.515  581.012  136.297   80.317   4.8546   95.522   11.236 -15.20477 12.23973 
1 1 1   19    9   10 f  333.137   3.9567  7079.41  141.233  7101.78  161.256  7005.74  292.638  334.358   3.7977  331.915   6.9427 2.443115 7.913500 
1 1 1   19    9   11 o  242.940   3.6298  3684.25   89.954  3639.68  100.419  3865.24  202.370  239.365   3.3035  246.515   6.4644 -7.149628 7.259571 
1 1 1   19    9   12 o  276.632   3.7720  4916.07  108.812  4954.82  123.041  4777.00  233.092  279.266   3.4694  273.998   6.6989 5.267975 7.543978 
1 1 1   19    9   13 o  582.730   5.7237 21596.00  363.418 21559.44  417.651 21709.99  737.466  582.220   5.6487  583.240   9.9567 -1.019348 11.44747 
1 1 1   19    9   14 o  225.978   3.7933  3286.22   84.176  3308.80   93.297  3187.36  195.199  228.209   3.2193  223.747   6.8698 4.461853 7.586653 
1 1 1   19    9   15 o  300.048   3.8896  5617.24  120.108  5541.32  134.455  5917.10  267.228  295.294   3.5855  304.802   6.9038 -9.508850 7.779295 
1 1 1   19    9   16 o  472.581   6.0702 14256.09  364.283 14188.36  516.966 14322.89  513.401  471.452   8.6347  473.711   8.5343 -2.258911 12.14049 
1 1 1   19    9   17 o  403.700   5.5072 10399.19  282.336 10404.82  399.838 10393.60  398.733  403.807   7.7971  403.594   7.7796 0.2135010 11.01442 
1 1 1   19    9   18 o  299.925   4.9053  5736.80  186.815  5789.47  266.608  5686.00  261.849  301.272   6.9685  298.579   6.9058 2.692383 9.810688 
1 1 1   19    9   19 o  220.031   5.3780  3106.77  149.390  2941.84  219.953  3248.01  203.538  214.499   8.0747  225.561   7.1056 -11.06207 10.75596 
1 1 1   19    9   20 f  257.413   5.4827  4244.83  177.345  4182.00  270.020  4292.49  235.182  255.598   8.3188  259.228   7.1441 -3.629456 10.96541 
1 1 1   19    9   21 o  182.633   5.7529  2139.63  133.227  2240.32  186.695  2035.15  190.175  187.071   7.8587  178.195   8.4039 8.876114 11.50579 
1 1 1   19    9   22 o  344.359   5.3283  7593.98  232.992  7547.22  326.966  7642.21  332.094  343.297   7.4999  345.422   7.5707 -2.125793 10.65661 
1 1 1   19    9   23 o  176.004   6.5437  2002.76  145.791  2182.94  206.045  1822.10  206.314  184.078   8.8142  167.930   9.6743 16.14761 13.08749 
1 1 1   19    9   24 o   50.854   13.910  133.773  129.113   45.387  215.240  183.452  161.369   47.966   20.347   53.742   18.973 -5.776051 27.82031 
1 1 1   19    9   25 o   98.759   10.885  661.439  134.456  691.617  210.631  640.684  174.675  100.100   16.569   97.418   14.119 2.682121 21.76934 
1 1 1   19    9   26 o  ?   ?  -871.0522  153.649 -1206.4880  271.445 -712.9079  186.382  ?   ?   ?   ?       ?      ? 
1 1 1   19    9   27 o   96.094   11.074  679.245  128.774  813.202  179.523  537.263  184.821  108.273   13.056   83.916   17.890 24.35728 22.14758 
1 1 1   19    9   28 o   96.557   10.831  735.448  119.496  454.957  178.558  962.968  160.816   74.604   18.842  118.509   10.686 -43.90543 21.66112 
1 1 1   19   11    0 o  281.342   3.8908  5087.01  123.556  5158.82  145.226  4898.81  235.111  285.006   4.0125  277.677   6.6674 7.328766 7.781635 
1 1 1   19   11    1 o  494.499   5.0099 15636.09  276.321 15744.87  322.003 15332.21  538.189  497.868   5.0929  491.129   8.6290 6.739441 10.01988 
1 1 1   19   11    2 o  438.605   4.6643 12191.80  225.219 12160.02  260.034 12287.23  450.571  437.539   4.6799  439.671   8.0697 -2.131012 9.328542 
1 1 1   19   11    3 o  734.514   6.9469 33936.48  553.180 33592.93  632.873 35048.73  1138.73  727.052   6.8545  741.975   12.085 -14.92310 13.89373 
1 1 1   19   11    4 o  545.670   5.4184 18574.78  318.011 18271.06  361.988 19601.93  665.687  536.259   5.3155  555.080   9.4436 -18.82068 10.83676 
1 1 1   19   11    5 o  330.391   3.9668  6859.86  142.147  6790.13  162.646  7085.37  292.485  326.947   3.9173  333.836   6.8991 -6.889526 7.933671 
1 1 1   19   11    6 o  333.058   3.9928  7046.62  145.103  7042.70  166.892  7058.78  293.710  332.956   3.9470  333.160   6.9421 -0.2046204 7.985688 
1 1 1   19   11    7 o  207.387   3.9107  2687.02   85.119  2651.37   95.982  2818.31  184.195  204.289   3.6997  210.484   6.8910 -6.195023 7.821320 
1 1 1   19   11    8 o  255.635   3.7713  4130.67  102.838  4110.60  116.963  4199.07  215.871  254.361   3.6209  256.909   6.6166 -2.546997 7.542610 
1 1 1   19   11    9 o  374.519   4.2425  8758.33  168.642  8627.92  190.951  9220.62  359.529  368.473   4.0807  380.566   7.4392 -12.09271 8.484951 
1 1 1   19   11   10 o  228.525   3.8055  3253.96   87.094  3213.10   96.637  3430.76  200.997  224.884   3.3838  232.166   6.8173 -7.281677 7.610914 
1 1 1   19   11   11 o  497.317   5.0161 15920.19  275.393 16100.66  319.589 15399.69  542.749  503.203   5.0012  491.430   8.6968 11.77283 10.03224 
1 1 1   19   11   12 o  327.471   3.9099  6868.15  138.094  6910.01  158.257  6734.56  282.717  329.741   3.7793  325.201   6.8458 4.540833 7.819716 
1 1 1   19   11   13 o  489.285   4.9844 15269.37  267.565 15286.49  308.737 15217.71  536.278  490.251   4.9590  488.319   8.6479 1.932312 9.968801 
1 1 1   19   11   14 o  150.757   5.9358  1456.18  112.995  1392.12  166.775  1510.53  153.631  147.632   8.8956  153.882   7.8617 -6.250183 11.87167 
1 1 1   19   11   15 o  344.906   5.2544  7591.25  229.961  7517.43  330.981  7660.14  319.737  343.249   7.5931  346.562   7.2650 -3.313507 10.50877 
1 1 1   19   11   16 o  105.993   8.0127  720.359  107.691  754.050  157.677  690.903  147.436  108.295   11.465  103.691   11.197 4.603790 16.02547 
1 1 1   19   11   17 o  245.215   5.3427  3853.64  165.322  3722.67  245.667  3962.04  223.503  241.301   8.0170  249.129   7.0645 -7.827942 10.68545 
1 1 1   19   11   18 o  104.117   10.156  706.260  133.409  692.535  199.187  717.426  179.658  103.046   15.221  105.187   13.450 -2.140640 20.31199 
1 1 1   19   11   19 o  395.488   5.7564 10009.63  288.909 10233.16  418.027  9805.24  399.744  399.671   8.2361  391.305   8.0443 8.366119 11.51280 
1 1 1   19   11   20 o  103.978   9.9490  740.335  122.758  561.496  183.724  884.569  164.994   90.981   16.510  116.975   11.107 -25.99452 19.89797 
1 1 1   19   11   21 o  163.860   10.447  1737.62  217.386  1737.62  217.386   0.0000   0.0000  163.860   10.447  ?   ?       ?      ? 
1 1 1   19   11   22 o   51.938   13.811  144.531  129.040   29.870  205.188  219.550  165.970   46.396   19.778   57.481   19.282 -11.08527 27.62226 
1 1 1   19   11   23 o  136.153   8.2804  1217.10  141.090  1254.37  220.216  1191.15  183.758  137.509   12.611  134.797   10.735 2.712311 16.56087 
1 1 1   19   11   24 o   94.510   13.242  653.876  151.202  665.336  236.021  645.899  196.916   94.105   20.343   94.915   16.959 -0.8102417 26.48469 
1 1 1   19   11   25 o   38.827   12.984 -247.7948  178.920 -527.9063  269.039 -25.6712  239.578   33.302   16.537   44.353   20.022 -11.05125 25.96812 
1 1 1   19   13    0 o  263.327   3.9532  4413.81  119.496  4420.07  141.495  4398.24  223.137  263.733   4.2247  262.921   6.6830 0.8117676 7.906344 
1 1 1   19   13    1 o  305.219   3.9846  5925.33  139.676  5927.25  165.399  5920.55  260.787  305.401   4.2647  305.038   6.7322 0.3636475 7.969281 
1 1 1   19   13    2 o  275.140   3.8872  4892.88  122.720  5003.67  146.082  4627.17  226.224  280.607   4.0994  269.673   6.6058 10.93427 7.774412 
1 1 1   19   13    3 o  221.942   4.0285  3209.37  100.501  3303.25  118.337  2966.42  190.361  227.993   4.0872  215.891   6.9433 12.10194 8.056939 
1 1 1   19   13    4 o  590.422   5.7637 22311.69  377.685 22422.17  438.806 21995.90  741.880  593.738   5.8197  587.106   9.9504 6.632202 11.52732 
1 1 1   19   13    5 o  365.259   4.2150  8417.33  170.123  8346.54  196.529  8628.95  339.793  362.386   4.2705  368.132   7.2683 -5.745636 8.430023 
1 1 1   19   13    6 o  227.626   3.8230  3242.77   95.511  3192.35  109.772  3399.88  193.776  224.132   3.8566  231.120   6.6021 -6.988113 7.646049 
1 1 1   19   13    7 o  188.756   4.0292  2341.05   82.969  2417.48   96.272  2120.40  163.580  195.037   3.8869  182.475   7.0591 12.56128 8.058441 
1 1 1   19   13    8 o   91.675   8.1097  677.217   62.307  750.571   69.403  372.523  141.449  108.637   5.0306   74.714   15.419 33.92378 16.21931 
1 1 1   19   13    9 o  239.827   3.8359  3722.99   98.065  3778.41  112.071  3541.89  202.577  243.833   3.6193  235.821   6.7644 8.011246 7.671792 
1 1 1   19   13   10 o  245.601   3.7834  3871.69   98.012  3899.05  111.301  3777.21  206.838  247.691   3.5384  243.510   6.6886 4.181442 7.566900 
1 1 1   19   13   11 o  355.449   4.1842  8011.37  158.096  7984.24  179.631  8104.58  333.008  354.384   3.9914  356.515   7.3553 -2.131134 8.368494 
1 1 1   19   13   12 o  302.956   3.9315  5636.41  122.071  5499.71  136.123  6197.84  275.862  294.136   3.6442  311.776   6.9674 -17.63998 7.862906 
1 1 1   19   13   13 o  299.187   3.9337  5680.56  122.503  5665.68  138.073  5735.61  265.551  298.522   3.6421  299.853   6.9737 -1.330353 7.867489 
1 1 1   19   13   14 o  132.915   7.2877  1129.59  122.136  1172.92  185.479  1096.41  162.288  135.081   10.812  130.747   9.7741 4.334061 14.57532 
1 1 1   19   13   15 o  523.823   6.6428 17528.14  440.603 18491.72  654.068 16727.62  596.164  536.838   9.5941  510.808   9.1903 26.02972 13.28562 
1 1 1   19   13   16 o  282.187   5.9179  5129.83  209.971  4290.74  295.980  5979.94  297.917  258.626   9.0118  305.748   7.6728 -47.12137 11.83573 
1 1 1   19   13   17 o  146.219   7.6187  1398.61  139.210  1233.11  208.121  1532.62  187.270  138.035   11.873  154.403   9.5507 -16.36871 15.23735 
1 1 1   19   13   18 o  123.215   8.0851  984.120  126.384  965.558  181.765  1001.49  175.850  122.026   11.730  124.405   11.131 -2.378815 16.17027 
1 1 1   19   13   19 o  193.216   5.9175  2409.92  144.639  2253.00  209.127  2553.82  200.263  187.033   8.8047  199.400   7.9086 -12.36746 11.83504 
1 1 1   19   13   20 o  286.142   5.4334  5273.09  197.222  5036.62  280.568  5504.06  277.288  279.688   7.8993  292.596   7.4625 -12.90823 10.86681 
1 1 1   19   13   21 o  125.713   8.4473  1024.57  132.407  1147.02  212.382  946.727  169.346  131.409   12.727  120.016   11.111 11.39276 16.89454 
1 1 1   19   13   22 f  129.281   11.262  1110.53  184.901   0.0000   0.0000  1110.53  184.901  ?   ?   129.281   11.262      ?      ? 
1 1 1   19   15    0 o  457.303   4.8482 13380.15  250.704 13452.95  294.381 13187.97  478.313  459.905   5.0404  454.701   8.2834 5.204041 9.696405 
1 1 1   19   15    1 f  143.082   5.1077  1354.19   83.627  1427.46  100.281  1186.88  151.530  149.796   5.2716  136.367   8.7501 13.42921 10.21533 
1 1 1   19   15    2 o  188.696   4.3513  2193.92   93.903  2105.22  109.862  2434.43  180.911  181.944   4.7548  195.448   7.2888 -13.50400 8.702591 
1 1 1   19   15    3 o   79.000   8.4353  406.108   73.952  405.823   87.398  406.826  138.765   79.735   8.6312   78.265   14.495 1.469948 16.87051 
1 1 1   19   15    4 o   89.692   7.3363  523.483   74.572  534.559   88.074  495.435  140.152   91.561   7.5746   87.824   12.566 3.736938 14.67264 
1 1 1   19   15    5 o  442.988   4.7226 12489.05  232.809 12473.99  270.447 12532.14  457.479  442.837   4.8091  443.139   8.1293 -0.3021240 9.445258 
1 1 1   19   15    6 o  163.705   4.5864  1672.28   83.668  1635.50   96.785  1781.07  166.447  160.345   4.7531  167.066   7.8453 -6.721039 9.172845 
1 1 1   19   15    7 o  182.411   4.4068  2078.28   88.993  2036.48  102.631  2204.96  178.665  178.931   4.5166  185.891   7.5684 -6.960312 8.813616 
1 1 1   19   15    8 o  275.497   4.0302  4712.24  120.890  4602.33  138.167  5071.16  249.671  269.022   4.0443  281.973   6.9724 -12.95123 8.060424 
1 1 1   19   15    9 o   83.165   8.7901  522.256   66.557  566.135   74.629  351.700  147.135   94.243   6.2357   72.087   16.437 22.15549 17.58010 
1 1 1   19   15   10 o  216.657   4.1461  2983.27   94.317  2976.92  106.676  3006.01  201.878  216.352   3.8826  216.962   7.3270 -0.6099396 8.292183 
1 1 1   19   15   11 o  335.851   4.6838  7042.04  180.491  6843.59  212.202  7561.19  343.219  327.817   5.0973  343.884   7.8593 -16.06644 9.367518 
1 1 1   19   15   12 o  285.129   4.8163  5076.55  156.513  4937.62  183.249  5451.19  300.925  278.410   5.1830  291.848   8.1194 -13.43799 9.632651 
1 1 1   19   15   13 o  195.992   4.9107  2369.60  101.376  2305.63  114.148  2608.43  220.566  190.278   4.7239  201.707   8.6107 -11.42892 9.821400 
1 1 1   19   15   14 o   69.677   13.597  338.823  124.448  288.597  193.226  374.425  162.680   65.552   20.728   73.801   17.604 -8.249344 27.19477 
1 1 1   19   15   15 o  299.550   5.2850  5745.77  200.925  5791.31  289.694  5703.56  278.914  300.653   7.5874  298.446   7.3591 2.207306 10.57006 
1 1 1   19   15   16 o  300.079   5.3075  5776.20  202.189  5788.38  289.870  5764.66  282.163  300.348   7.5998  299.809   7.4110 0.5391541 10.61506 
1 1 1   19   15   17 o  108.206   10.037  785.241  135.961  688.903  200.891  866.663  184.685  101.546   15.578  114.867   12.661 -13.32095 20.07429 
1 1 1   19   15   18 o   38.849   17.004 -12.9628  159.773   0.0000   0.0000 -12.9628  159.773  ?   ?    38.849   17.004      ?      ? 
1 1 1   19   17    0 o  221.719   4.5454  3080.03  114.525  3014.25  134.016  3258.12  220.516  217.612   4.8495  225.825   7.6893 -8.213272 9.090834 
1 1 1   19   17    1 o  233.661   4.4275  3458.74  118.191  3430.18  139.203  3532.49  223.716  232.152   4.7217  235.169   7.4910 -3.016953 8.854902 
1 1 1   19   17    2 o  153.743   5.5748  1576.50   96.705  1664.75  115.050  1364.02  178.511  161.647   5.6045  145.839   9.6385 15.80763 11.14956 
1 1 1   19   17    3 o  273.157   4.4652  4868.12  146.767  5133.03  183.495  4397.67  244.528  283.919   5.0892  262.394   7.3383 21.52499 8.930345 
1 1 1   19   17    4 o  134.628   6.4144  1215.52   99.198  1301.81  119.933  1028.65  176.498  142.834   6.6120  126.422   10.994 16.41253 12.82879 
1 1 1   19   17    5 o   25.116   8.7655 -212.0101   83.784 -173.4718   96.013 -335.0496  171.556   21.857   10.656   28.375   13.920 -6.517773 17.53108 
1 1 1   19   17    6 o  259.054   4.8558  3780.54  141.967  3269.92  162.345  5440.04  292.672  226.498   5.6441  291.609   7.9032 -65.11151 9.711677 
1 1 1   19   17    7 o  232.483   8.6251  3464.49  254.642   0.0000   0.0000  3464.49  254.642  ?   ?   232.483   8.6251      ?      ? 
1 1 1   19   17    8 o  165.572   5.5318  1740.14  100.941  1725.44  116.494  1784.42  202.211  164.507   5.5762  166.636   9.5556 -2.128479 11.06362 
1 1 1   19   17    9 o   77.543   9.6498  362.702   74.721  339.638   82.863  463.059  172.852   72.732   8.9714   82.354   17.088 -9.622185 19.29954 
1 1 1   19   17   10 o  442.194   4.8586 12634.78  237.343 12774.60  275.588 12233.30  467.003  447.756   4.8466  436.632   8.4222 11.12354 9.717172 
1 1 1   19   17   11 o   78.014   9.3780  362.016   70.247  339.037   76.984  476.321  171.701   72.658   8.3433   83.370   16.798 -10.71149 18.75601 
1 1 1   19   17   12 o  258.313   4.2944  4316.29  113.685  4352.33  127.807  4179.70  248.808  261.452   3.8493  255.175   7.6780 6.276855 8.588890 
1 1 1   19   17   13 o  182.413   4.4859  2081.61   77.476  2057.54   84.677  2205.35  191.997  179.752   3.7095  185.074   8.1691 -5.321579 8.971817 
1 1 1   19   17   14 o  147.669   9.4076  1414.77  176.419   0.0000   0.0000  1414.77  176.419  ?   ?   147.669   9.4076      ?      ? 
1 1 1   19   19    0 o  165.668   5.7516  1710.39  110.370  1642.26  130.318  1883.25  207.574  160.317   6.4010  171.019   9.5577 -10.70178 11.50313 
1 1 1   19   19    1 o  117.317   7.8088  918.021  102.772  952.628  121.320  830.079  193.397  121.900   7.8370  112.733   13.509 9.166847 15.61758 
1 1 1   19   19    2 o  170.693   5.4115  1863.48  109.602  1856.21  133.031  1878.84  193.380  170.459   6.1455  170.926   8.9089 -0.4670410 10.82293 
1 1 1   19   19    3 o  126.168   6.7045  1046.53  100.300  1087.40  123.134  965.945  172.905  130.262   7.4437  122.075   11.153 8.186386 13.40908 
1 1 1   19   19    4 o  243.304   4.6473  3616.10  129.543  3408.69  151.255  4187.01  250.946  231.158   5.1526  255.450   7.7356 -24.29225 9.294568 
1 1 1   19   19    5 o  141.806   6.6062  1359.80  104.997  1441.93  124.699  1159.71  194.631  150.097   6.5420  133.515   11.479 16.58195 13.21234 
1 1 1   19   19    6 o   86.968   10.597  591.092   95.695  687.124  113.284  351.848  178.806  103.269   8.6382   70.667   19.355 32.60200 21.19494 
1 1 1   19   19    7 o  134.690   6.4834  1176.09   97.146  1179.96  113.066  1165.19  189.874  135.696   6.5612  133.685   11.184 2.011063 12.96674 
1 1 1   19   19    8 o  374.216   4.6549  9250.12  196.571  9596.34  232.665  8386.63  367.435  387.736   4.7252  360.696   8.0216 27.03955 9.309859 
1 1 1   19   19    9 o  170.013   5.6509  1945.79  102.682  2021.78  118.396  1715.18  206.259  177.798   5.2436  162.227   10.012 15.57056 11.30180 
1 1 1   19   19   10 o   62.375   13.187  268.454  101.189  268.454  101.189   0.0000   0.0000   62.375   13.187  ?   ?       ?      ? 
1 1 1   19   19   11 o  187.803   5.1077  2259.36  121.815  2259.36  121.815   0.0000   0.0000  187.803   5.1077  ?   ?       ?      ? 
1 1 1   19   21    0 o  206.168   5.1806  2710.28  128.505  2631.82  157.238  2868.08  222.997  202.298   6.1205  210.038   8.3603 -7.739227 10.36126 
1 1 1   19   21    1 o  105.366   8.3362  747.922  103.658  764.681  126.414  713.527  181.100  108.145   9.2047  102.587   13.901 5.558426 16.67235 
1 1 1   19   21    2 o  143.382   7.1883  1194.36  115.999  1032.82  132.516  1723.91  239.931  125.976   8.2832  160.787   11.751 -34.81049 14.37662 
1 1 1   19   21    3 o  108.969   10.107  694.531  115.660  613.147  128.334  1046.56  266.909   96.271   10.497  121.667   17.275 -25.39593 20.21399 
1 1 1   19   21    4 o  121.976   15.877  1040.23  245.930   0.0000   0.0000  1040.23  245.930  ?   ?   121.976   15.877      ?      ? 
1 1 1   19   21    6 o  267.371   6.1740  4617.06  209.632  4617.06  209.632   0.0000   0.0000  267.371   6.1740  ?   ?       ?      ? 
1 1 1   19   21    7 o   25.467   12.455 -225.6292  134.184 -225.6292  134.184   0.0000   0.0000   25.467   12.455  ?   ?       ?      ? 
1 1 1   19   21    8 o   44.560   15.957  133.562  114.531  133.562  114.531   0.0000   0.0000   44.560   15.957  ?   ?       ?      ? 
1 1 1   19   23    0 o   39.657   16.815   66.629  146.906   66.629  146.906   0.0000   0.0000   39.657   16.815  ?   ?       ?      ? 
1 1 1   19   23    1 o   56.470   17.910  262.269  144.179  262.269  144.179   0.0000   0.0000   56.470   17.910  ?   ?       ?      ? 
1 1 1   19   23    2 o   57.711   17.773  275.236  143.068  275.236  143.068   0.0000   0.0000   57.711   17.773  ?   ?       ?      ? 
1 1 1   19   23    3 o   58.031   17.493  278.603  139.594  278.603  139.594   0.0000   0.0000   58.031   17.493  ?   ?       ?      ? 
1 1 1   20    0    0 f  558.441   4.6585 19814.81  467.064 19814.81  467.064 19814.81  467.064  558.441   6.5881  558.441   6.5881 -0.000000 0.000000 
1 1 1   20    0    1 o  406.200   3.6282 10483.31  264.585 10483.31  264.585 10483.31  264.585  406.200   5.1310  406.200   5.1310 -0.000000 0.000000 
1 1 1   20    0    2 o   78.456   3.7313  396.179   52.028  396.179   52.028  396.179   52.028   78.456   5.2768   78.456   5.2768 -0.000000 0.000000 
1 1 1   20    0    3 o  790.640   6.3263 39724.93  898.044 39724.93  898.044 39724.93  898.044  790.640   8.9468  790.640   8.9468 -0.000000 0.000000 
1 1 1   20    0    4 o  636.019   5.2021 25703.35  594.029 25703.35  594.029 25703.35  594.029  636.019   7.3568  636.019   7.3568 -0.000000 0.000000 
1 1 1   20    0    5 o   69.358   4.2579  312.364   52.119  312.364   52.119  312.364   52.119   69.358   6.0216   69.358   6.0216 -0.000000 0.000000 
1 1 1   20    0    6 o  784.893   6.2881 39148.13  886.123 39148.13  886.123 39148.13  886.123  784.893   8.8926  784.893   8.8926 -0.000000 0.000000 
1 1 1   20    0    7 f  155.431   2.8547  1537.20   79.566  1537.20   79.566  1537.20   79.566  155.431   4.0372  155.431   4.0372 -0.000000 0.000000 
1 1 1   20    0    8 o   53.702   9.6408  215.077   80.395  215.077   80.395  215.077   80.395   53.702   13.634   53.702   13.634 -0.000000 0.000000 
1 1 1   20    0    9 o  587.313   4.8988 21916.13  516.550 21916.13  516.550 21916.13  516.550  587.313   6.9279  587.313   6.9279 -0.000000 0.000000 
1 1 1   20    0   10 o  352.778   4.9860  7913.49  315.611  7913.49  315.611  7913.49  315.611  352.778   7.0512  352.778   7.0512 -0.000000 0.000000 
1 1 1   20    0   11 o  1070.47   8.4425 72837.62  1622.61 72837.62  1622.61 72837.62  1622.61  1070.47   11.939  1070.47   11.939 -0.000000 0.000000 
1 1 1   20    0   12 o  344.215   3.3776  7528.50  208.710  7528.50  208.710  7528.50  208.710  344.215   4.7767  344.215   4.7767 -0.000000 0.000000 
1 1 1   20    0   13 f  139.098   3.3270  1232.92   82.897  1232.92   82.897  1232.92   82.897  139.098   4.7051  139.098   4.7051 -0.000000 0.000000 
1 1 1   20    0   14 o  196.156   3.0099  2447.00  105.920  2447.00  105.920  2447.00  105.920  196.156   4.2566  196.156   4.2566 -0.000000 0.000000 
1 1 1   20    0   15 o  735.491   5.9567 34398.11  786.594 34398.11  786.594 34398.11  786.594  735.491   8.4241  735.491   8.4241 -0.000000 0.000000 
1 1 1   20    0   16 f   30.290   10.619   86.075   69.673   86.075   69.673   86.075   69.673   30.290   15.017   30.290   15.017 -0.000000 0.000000 
1 1 1   20    0   17 o  126.504   3.7602  1022.22   85.086  1022.22   85.086  1022.22   85.086  126.504   5.3177  126.504   5.3177 -0.000000 0.000000 
1 1 1   20    0   18 o  212.532   3.1584  2873.51  120.434  2873.51  120.434  2873.51  120.434  212.532   4.4666  212.532   4.4666 -0.000000 0.000000 
1 1 1   20    0   19 o  170.000   3.3311  1840.57  101.524  1840.57  101.524  1840.57  101.524  170.000   4.7108  170.000   4.7108 -0.000000 0.000000 
1 1 1   20    0   20 o  674.948   5.5481 29004.28  672.317 29004.28  672.317 29004.28  672.317  674.948   7.8462  674.948   7.8462 -0.000000 0.000000 
1 1 1   20    0   21 o  712.726   5.8352 32364.10  746.695 32364.10  746.695 32364.10  746.695  712.726   8.2523  712.726   8.2523 -0.000000 0.000000 
1 1 1   20    0   22 o  470.940   4.2061 14115.02  355.618 14115.02  355.618 14115.02  355.618  470.940   5.9483  470.940   5.9483 -0.000000 0.000000 
1 1 1   20    0   23 o  182.910   4.2559  2135.68  139.462  2135.68  139.462  2135.68  139.462  182.910   6.0188  182.910   6.0188 -0.000000 0.000000 
1 1 1   20    0   24 o  363.645   3.7880  8418.09  247.270  8418.09  247.270  8418.09  247.270  363.645   5.3571  363.645   5.3571 -0.000000 0.000000 
1 1 1   20    0   25 o  490.553   4.3723 15332.84  385.067 15332.84  385.067 15332.84  385.067  490.553   6.1834  490.553   6.1834 -0.000000 0.000000 
1 1 1   20    0   26 f  140.402   4.6863  1265.41  117.566  1265.41  117.566  1265.41  117.566  140.402   6.6274  140.402   6.6274 -0.000000 0.000000 
1 1 1   20    0   27 o  443.280   4.1404 12540.14  329.489 12540.14  329.489 12540.14  329.489  443.280   5.8554  443.280   5.8554 -0.000000 0.000000 
1 1 1   20    0   28 o  273.840   3.6713  4790.00  180.411  4790.00  180.411  4790.00  180.411  273.840   5.1921  273.840   5.1921 -0.000000 0.000000 
1 1 1   20    0   29 o  ?   ?  -936.3691  133.181 -936.3691  133.181 -936.3691  133.181  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   20    0   30 o  135.773   4.9547  1198.07  120.080  1198.07  120.080  1198.07  120.080  135.773   7.0070  135.773   7.0070 -0.000000 0.000000 
1 1 1   20    2    0 o  718.676   7.1196 32771.40  610.906 32653.85  745.527 33011.64  1065.82  716.855   8.1894  720.497   11.649 -3.641968 14.23923 
1 1 1   20    2    1 o  114.728   3.8878  816.172   53.525  778.195   65.024  895.985   94.264  110.693   4.6257  118.763   6.2501 -8.070732 7.775655 
1 1 1   20    2    2 o  341.349   3.9871  7326.12  161.417  7195.40  195.096  7609.80  287.396  336.592   4.5642  346.107   6.5387 -9.515137 7.974136 
1 1 1   20    2    3 o  107.581   3.3730  739.737   45.775  818.488   63.789  656.132   65.726  113.523   4.4247  101.639   5.0921 11.88458 6.745909 
1 1 1   20    2    4 o  612.217   5.0344 23793.09  391.183 23288.56  542.108 24341.20  565.036  605.454   7.0506  618.980   7.1882 -13.52551 10.06884 
1 1 1   20    2    5 o  607.684   5.0080 23447.43  386.332 23911.79  555.577 23012.66  537.579  613.504   7.1310  601.864   7.0334 11.64056 10.01598 
1 1 1   20    2    6 o  978.098   7.7302 60793.89  959.899 61710.95  1377.65 59928.57  1338.22  985.256   11.011  970.940   10.853 14.31635 15.46041 
1 1 1   20    2    7 o  768.622   6.1715 37536.54  602.376 37768.68  856.401 37309.21  847.446  770.973   8.7470  766.272   8.7087 4.701477 12.34307 
1 1 1   20    2    8 o  770.913   6.2114 37597.52  606.130 39732.19  902.193 35841.28  818.326  790.760   8.9842  751.067   8.5797 39.69312 12.42278 
1 1 1   20    2    9 f  498.442   4.2961 15780.55  271.932 15826.82  385.012 15734.49  384.131  499.172   6.0736  497.713   6.0775 1.458374 8.592102 
1 1 1   20    2   10 o  1410.13   11.006 126538.30  1970.84 127322.60  2804.86 125773.50  2769.85  1414.44   15.615  1405.83   15.515 8.610596 22.01242 
1 1 1   20    2   11 o  1338.66   10.464 114012.30  1778.64 114931.80  2536.55 113122.90  2494.72  1343.95   14.862  1333.36   14.733 10.59375 20.92725 
1 1 1   20    2   12 o  463.837   4.0849 13665.06  240.606 13598.26  338.384 13733.37  342.184  462.691   5.7589  464.983   5.7949 -2.291962 8.169810 
1 1 1   20    2   13 o  1203.09   9.4352 92106.27  1441.38 91294.79  2020.38 92947.38  2056.93  1197.70   13.283  1208.47   13.403 -10.76648 18.87038 
1 1 1   20    2   14 o  572.843   4.7978 20832.00  348.747 20281.41  481.700 21438.52  505.570  564.903   6.7147  580.783   6.8547 -15.87976 9.595521 
1 1 1   20    2   15 o  565.657   4.7521 20316.32  341.014 19691.06  469.531 21014.34  496.099  556.469   6.6442  574.844   6.7958 -18.37445 9.504154 
1 1 1   20    2   16 o  208.596   3.0565  2766.17   80.932  2681.59  114.689  2850.06  114.223  205.415   4.3966  211.776   4.2472 -6.360504 6.112953 
1 1 1   20    2   17 f  227.182   3.8696  3257.82  102.820  3344.56  187.282  3220.40  123.018  229.265   6.4325  225.100   4.3034 4.164780 7.739289 
1 1 1   20    2   18 o  333.269   3.3718  7059.36  142.665  7157.01  204.683  6967.10  198.956  335.507   4.8040  331.032   4.7327 4.474640 6.743661 
1 1 1   20    2   19 o  258.643   3.1426  4253.75  103.197  4143.01  145.792  4364.95  146.093  255.265   4.4974  262.022   4.3905 -6.756363 6.285176 
1 1 1   20    2   20 o  459.527   4.0855 13438.20  238.361 13639.20  341.567 13247.40  332.791  462.869   5.8109  456.185   5.7445 6.683136 8.171009 
1 1 1   20    2   21 o  280.570   3.2654  5007.44  116.252  5023.49  167.928  4992.66  161.096  280.992   4.7060  280.149   4.5281 0.8427734 6.530703 
1 1 1   20    2   22 o   98.330   5.5171  617.789   68.682  684.026   98.493  555.092   95.824  103.484   7.4947   93.176   8.0983 10.30797 11.03416 
1 1 1   20    2   23 o   49.926   15.900  160.739  113.543  160.739  113.543   0.0000   0.0000   49.926   15.900  ?   ?       ?      ? 
1 1 1   20    2   24 o  219.675   3.5804  3075.22   99.861  3051.46  142.356  3098.23  140.122  218.831   5.1226  220.519   5.0036 -1.688751 7.160771 
1 1 1   20    2   25 o  142.022   4.4993  1289.09   81.145  1292.48  115.271  1285.76  114.250  142.204   6.3831  141.840   6.3428 0.3645782 8.998586 
1 1 1   20    2   26 o  155.019   4.3653  1536.05   85.886  1478.09  119.142  1598.76  123.920  151.978   6.1731  158.060   6.1737 -6.082260 8.730508 
1 1 1   20    2   27 o   87.965   6.9398  506.889   76.987  530.434  104.574  479.027  113.759   90.364   9.1128   85.566   10.469 4.798088 13.87962 
1 1 1   20    2   28 o   68.404   9.7268  328.858   81.365  343.977  111.464  311.613  119.046   70.474   12.931   66.333   14.534 4.140305 19.45352 
1 1 1   20    2   29 o  204.963   5.7734  2712.21  150.274  2712.21  150.274   0.0000   0.0000  204.963   5.7734  ?   ?       ?      ? 
1 1 1   20    2   30 o  150.046   7.1473  1534.88  135.028  1442.59  200.152  1611.96  182.925  145.148   10.859  154.943   9.2966 -9.795227 14.29458 
1 1 1   20    4    0 o  556.951   4.6756 19696.11  330.604 20095.43  474.541 19319.50  460.850  562.432   6.6439  551.469   6.5805 10.96283 9.351215 
1 1 1   20    4    1 o  844.464   6.7417 45318.01  722.890 44924.13  1012.58 45727.42  1032.34  840.727   9.4841  848.201   9.5840 -7.474426 13.48342 
1 1 1   20    4    2 o  460.334   4.0418 13449.12  236.133 13168.01  327.064 13755.20  341.276  455.315   5.6564  465.353   5.7749 -10.03775 8.083612 
1 1 1   20    4    3 o  130.023   3.4510  1071.03   56.744  1045.78   76.421  1102.05   84.714  128.321   4.6896  131.725   5.0642 -3.404495 6.902060 
1 1 1   20    4    4 o  289.477   3.0872  5321.49  113.479  5421.74  161.108  5222.78  159.866  292.183   4.3420  286.771   4.3898 5.411865 6.174362 
1 1 1   20    4    5 o  496.217   4.2639 15556.79  267.690 14731.04  360.124 16576.45  400.178  481.583   5.8885  510.850   6.1685 -29.26697 8.527891 
1 1 1   20    4    6 o  890.511   7.0844 50389.53  801.038 49923.49  1121.39 50875.10  1144.65  886.312   9.9630  894.710   10.074 -8.398438 14.16870 
1 1 1   20    4    7 o  1204.02   9.4398 92193.23  1443.34 92401.75  2045.74 91986.54  2036.69  1205.37   13.364  1202.67   13.335 2.707153 18.87957 
1 1 1   20    4    8 o  480.601   4.2023 14670.76  256.475 14651.92  361.778 14689.78  363.651  480.291   5.9314  480.911   5.9545 -0.6194458 8.404621 
1 1 1   20    4    9 f  500.551   4.3457 15908.10  276.167 15642.18  385.138 16189.53  396.214  496.248   6.1114  504.853   6.1800 -8.605774 8.691451 
1 1 1   20    4   10 o  615.420   5.1051 24057.69  398.945 23852.45  559.546 24269.88  568.958  612.752   7.1907  618.088   7.2486 -5.336060 10.21022 
1 1 1   20    4   11 o  505.962   4.3428 16261.27  279.039 16239.02  394.012 16283.65  395.232  505.615   6.1364  506.309   6.1469 -0.6939697 8.685613 
1 1 1   20    4   12 o  1065.24   8.4031 72166.39  1136.60 72882.54  1623.63 71478.18  1591.63  1070.42   11.944  1060.07   11.823 10.34387 16.80617 
1 1 1   20    4   13 o  832.650   6.6662 44093.40  704.873 43956.38  994.041 44231.97  999.665  831.351   9.4155  833.949   9.4392 -2.598633 13.33231 
1 1 1   20    4   14 o  847.338   6.7914 45712.93  730.772 45502.04  1029.34 45927.24  1037.64  845.372   9.5881  849.304   9.6207 -3.932861 13.58273 
1 1 1   20    4   15 o  510.547   4.3769 16550.44  283.480 16002.44  390.148 17163.32  412.595  501.618   6.1246  519.477   6.2543 -17.85840 8.753715 
1 1 1   20    4   16 o  653.604   5.3815 27196.65  446.604 27496.48  638.779 26909.94  624.644  657.116   7.6547  650.091   7.5663 7.025024 10.76305 
1 1 1   20    4   17 o  207.395   3.0789  2732.20   81.051  2789.10  116.871  2679.46  112.500  209.473   4.3934  205.318   4.3147 4.154602 6.157812 
1 1 1   20    4   18 o  283.046   3.1873  5092.95  114.543  5121.54  163.816  5065.60  160.219  283.820   4.5450  282.271   4.4696 1.548370 6.374547 
1 1 1   20    4   19 o  198.561   3.1831  2509.39   80.079  2471.15  116.804  2543.29  110.000  197.122   4.6660  200.000   4.3310 -2.878326 6.366235 
1 1 1   20    4   20 o  158.358   3.4002  1594.13   68.318  1623.86   99.085  1567.19   94.322  159.760   4.8839  156.957   4.7321 2.802979 6.800383 
1 1 1   20    4   21 o  219.502   3.2438  3065.57   90.420  3087.24  128.361  3044.22  127.390  220.272   4.5888  218.732   4.5861 1.540085 6.487615 
1 1 1   20    4   22 o  162.235   3.9735  1679.27   81.755  1734.24  113.991  1621.05  117.318  164.990   5.4404  159.480   5.7927 5.510376 7.946929 
1 1 1   20    4   23 o   28.320   9.2283 -81.4183   77.020 -53.1718  101.766 -119.2903  117.837   28.761   13.010   27.879   13.091 0.8820038 18.45651 
1 1 1   20    4   24 o  208.046   3.6506  2750.43   96.295  2566.33  132.193  2958.55  140.555  200.648   5.1879  215.444   5.1373 -14.79622 7.301135 
1 1 1   20    4   25 o  356.902   4.6462  8099.44  193.577  8283.16  353.171  8020.55  231.440  359.241   7.7414  354.564   5.1400 4.677460 9.292458 
1 1 1   20    4   26 o   99.641   5.7172  636.655   72.093  601.093   97.151  680.239  107.552   96.591   7.9201  102.691   8.2472 -6.099937 11.43440 
1 1 1   20    4   27 o  120.712   4.9333  936.556   75.445  851.040  103.830  1032.21  109.812  114.854   7.1187  126.569   6.8320 -11.71456 9.866677 
1 1 1   20    4   28 o   25.776   8.9875 -247.6881   97.187 -221.9541  118.535 -300.4683  169.758   23.435   11.512   28.117   13.805 -4.682228 17.97500 
1 1 1   20    4   29 o  157.794   6.9565  1700.47  135.745  1467.43  207.142  1875.88  179.712  147.016   11.095  168.572   8.3949 -21.55594 13.91298 
1 1 1   20    4   30 o   42.871   12.869   65.534  122.948  172.429  188.994 -12.8963  161.887   49.253   19.781   36.488   16.466 12.76508 25.73773 
1 1 1   20    6    0 o  542.468   4.6641 18687.62  321.090 18554.29  445.205 18832.16  463.527  540.456   6.4867  544.481   6.7037 -4.024536 9.328274 
1 1 1   20    6    1 o  918.994   7.3189 53672.55  854.085 54267.01  1216.94 53095.50  1198.97  924.006   10.371  913.982   10.330 10.02441 14.63770 
1 1 1   20    6    2 o  1130.04   8.8923 80946.33  1273.11 84794.23  1880.03 77687.34  1730.19  1154.73   12.821  1105.35   12.326 49.38696 17.78461 
1 1 1   20    6    3 o  565.942   6.7094 20345.27  482.206 20345.27  482.206   0.0000   0.0000  565.942   6.7094  ?   ?       ?      ? 
1 1 1   20    6    4 o  671.438   5.5272 28640.76  471.284 28849.16  667.874 28434.08  665.127  673.871   7.8044  669.005   7.8289 4.866333 11.05440 
1 1 1   20    6    5 o  649.051   5.3838 26671.26  442.776 28117.56  653.265 25442.22  602.205  665.266   7.7324  632.836   7.4933 32.42981 10.76758 
1 1 1   20    6    6 o  132.554   5.7159  1115.98   96.218  1115.98   96.218   0.0000   0.0000  132.554   5.7159  ?   ?       ?      ? 
1 1 1   20    6    7 o  895.716   10.103 50992.60  1149.19 50992.60  1149.19   0.0000   0.0000  895.716   10.103  ?   ?       ?      ? 
1 1 1   20    6    8 o  663.237   5.4652 27945.29  460.284 27813.62  646.593 28080.57  655.375  661.655   7.6952  664.820   7.7626 -3.164429 10.93045 
1 1 1   20    6    9 o  277.938   3.2680  4874.97  114.793  4607.92  153.514  5213.70  172.892  269.360   4.4878  286.516   4.7517 -17.15582 6.536002 
1 1 1   20    6   10 o  335.322   3.4257  7125.40  145.589  6902.12  198.574  7384.93  214.087  329.657   4.7433  340.988   4.9440 -11.33127 6.851403 
1 1 1   20    6   11 o  125.684   3.8836  984.270   60.677  916.309   77.138  1094.56   98.267  120.106   5.0574  131.261   5.8952 -11.15458 7.767244 
1 1 1   20    6   12 o  186.388   3.1854  2220.94   74.911  2439.11  104.063  1986.28  107.923  195.955   4.1818  176.821   4.8062 19.13438 6.370797 
1 1 1   20    6   13 o  543.562   4.6166 18787.12  318.673 18880.46  452.032 18694.90  449.323  544.904   6.5324  542.220   6.5254 2.683533 9.233226 
1 1 1   20    6   14 o  312.529   3.2584  6201.15  129.245  6016.21  179.044  6402.39  186.759  307.670   4.5824  317.388   4.6335 -9.717804 6.516788 
1 1 1   20    6   15 o  184.568   3.0452  2155.68   71.217  1987.01   97.256  2350.69  104.573  176.816   4.3313  192.320   4.2817 -15.50397 6.090390 
1 1 1   20    6   16 f  424.252   4.6921 11338.82  237.306 11121.32  288.122 11797.56  418.434  418.164   5.4257  430.340   7.6566 -12.17529 9.384129 
1 1 1   20    6   17 o   36.828   8.6071   80.567   46.261   68.825   60.075   97.674   72.513   34.117   11.600   39.539   12.719 -5.422386 17.21413 
1 1 1   20    6   18 o   35.646   8.5270   75.358   47.138   98.809   62.066   43.393   72.461   39.029   11.641   32.262   12.463 6.767071 17.05396 
1 1 1   20    6   19 o  556.172   4.7351 19714.09  334.432 19766.42  474.405 19662.40  471.525  556.902   6.7080  555.442   6.6848 1.460083 9.470163 
1 1 1   20    6   20 o  379.683   3.6529  9162.70  175.938  9481.66  256.204  8878.06  242.028  385.914   5.2278  373.451   5.1033 12.46228 7.305733 
1 1 1   20    6   21 o  205.590   3.2469  2684.28   84.669  2810.09  123.499  2572.69  116.305  210.122   4.6282  201.057   4.5551 9.064362 6.493817 
1 1 1   20    6   23 o  348.937   3.5601  7755.80  157.728  7929.24  225.637  7590.06  220.571  352.750   5.0369  345.124   5.0326 7.626190 7.120251 
1 1 1   20    6   24 o  278.729   3.3286  4953.96  117.760  5054.73  165.094  4849.58  168.021  281.636   4.6160  275.822   4.7969 5.814148 6.657118 
1 1 1   20    6   25 o  136.420   3.8239  1174.50   65.601  1090.69   85.868  1291.98  101.669  130.684   5.1741  142.156   5.6318 -11.47256 7.647734 
1 1 1   20    6   26 o  233.410   3.2563  3480.78   96.489  3490.34  134.826  3470.75  138.148  233.758   4.5418  233.062   4.6676 0.6955872 6.512666 
1 1 1   20    6   27 o  149.106   6.9386  1465.74  131.225  1448.56  189.590  1481.54  181.815  148.118   10.079  150.095   9.5387 -1.977127 13.87726 
1 1 1   20    6   28 o   29.273   9.9678 -202.7486  111.203 -290.8640  163.758 -127.3440  151.487   27.394   13.472   31.152   14.695 -3.757605 19.93563 
1 1 1   20    6   29 o   86.440   11.998  622.480  122.406  401.783  199.157  756.465  155.176   68.418   20.952  104.463   11.697 -36.04443 23.99626 
1 1 1   20    8    0 o  779.830   12.589 38668.91  1246.71 38668.91  1246.71   0.0000   0.0000  779.830   12.589  ?   ?       ?      ? 
1 1 1   20    8    1 o  645.981   5.5754 26527.19  457.081 27130.25  639.967 25899.22  653.052  653.488   7.7116  638.474   8.0543 15.01349 11.15076 
1 1 1   20    8    2 o  511.131   6.3834 16594.87  414.345 16594.87  414.345   0.0000   0.0000  511.131   6.3834  ?   ?       ?      ? 
1 1 1   20    8    3 o  1287.01   10.113 105325.30  1652.35 107383.50  2374.28 103392.20  2301.00  1299.18   14.391  1274.83   14.213 24.34241 20.22635 
1 1 1   20    8    4 o  160.895   4.7182  1700.19   91.588  1853.46  116.122  1447.88  148.984  170.828   5.3528  150.962   7.7713 19.86562 9.436358 
1 1 1   20    8    5 o  848.408   6.8373 45729.07  736.512 46597.27  1054.54 44902.27  1029.09  856.265   9.6979  840.552   9.6408 15.71332 13.67459 
1 1 1   20    8    6 o  478.553   4.3297 14551.30  262.983 14689.10  366.895 14405.69  377.146  480.887   6.0079  476.219   6.2363 4.668579 8.659435 
1 1 1   20    8    7 f  500.592   4.4360 15913.48  281.743 15805.07  389.520 16032.42  408.011  498.809   6.1492  502.375   6.3954 -3.566162 8.872065 
1 1 1   20    8    8 o  849.045   6.8250 45797.25  735.586 46861.55  1058.88 44804.59  1022.62  858.567   9.7117  839.524   9.5919 19.04224 13.64993 
1 1 1   20    8    9 o  499.543   4.4017 15795.06  278.160 15212.27  374.551 16511.78  415.363  489.318   6.0276  509.769   6.4162 -20.45111 8.803359 
1 1 1   20    8   10 o  317.053   3.4596  6384.30  138.461  6366.53  185.800  6406.50  207.644  316.566   4.6217  317.539   5.1493 -0.9724731 6.919174 
1 1 1   20    8   11 o  144.944   4.0190  1395.87   68.709  1522.89   85.239  1160.24  116.099  154.818   4.3355  135.070   6.7685 19.74747 8.037958 
1 1 1   20    8   12 o  414.577   3.8783 10924.51  204.011 10852.08  282.329 11003.66  295.128  413.150   5.3811  416.005   5.5864 -2.854767 7.756567 
1 1 1   20    8   13 o  351.811   3.5394  7835.86  157.520  7520.81  211.991  8224.25  235.373  343.961   4.8532  359.661   5.1533 -15.69986 7.078862 
1 1 1   20    8   14 o  425.293   3.9302 11504.76  212.135 11526.09  295.000 11481.92  305.271  425.714   5.4566  424.872   5.6578 0.8421326 7.860402 
1 1 1   20    8   15 o  601.467   5.0787 23036.44  387.798 22819.21  540.656 23266.63  556.547  598.565   7.1127  604.368   7.2514 -5.803284 10.15741 
1 1 1   20    8   16 o  210.601   3.2581  2793.60   85.636  2683.62  110.315  2960.39  135.848  205.458   4.2280  215.744   4.9583 -10.28551 6.516216 
1 1 1   20    8   17 o  473.932   4.2453 14300.51  255.458 14258.27  357.634 14344.51  365.023  473.229   5.9510  474.635   6.0560 -1.406189 8.490528 
1 1 1   20    8   18 o  287.390   3.9799  5392.28  137.253  5705.25  171.270  4830.51  229.461  299.485   4.5033  275.295   6.5635 24.19009 7.959817 
1 1 1   20    8   19 o  102.962   4.0155  655.953   49.141  622.871   59.107  730.013   88.437   98.932   4.7046  106.993   6.5088 -8.061020 8.031062 
1 1 1   20    8   20 o  295.876   4.2077  5512.72  144.462  5415.55  171.583  5749.28  267.729  291.687   4.6321  300.064   7.0259 -8.377319 8.415468 
1 1 1   20    8   21 o  226.713   5.4539  3289.39  156.966  3260.97  224.414  3316.61  219.629  225.728   7.8287  227.698   7.5954 -1.970139 10.90774 
1 1 1   20    8   22 o  117.359   8.8827  885.127  130.904  955.485  203.663  835.600  170.876  121.147   13.238  113.571   11.848 7.575546 17.76547 
1 1 1   20    8   23 o  285.857   5.6004  5241.28  202.666  5298.74  299.383  5192.68  275.349  287.186   8.2089  284.527   7.6205 2.659149 11.20080 
1 1 1   20    8   24 o  121.658   9.5202  1006.82  141.360  841.928  220.991  1121.02  183.905  112.202   15.509  131.114   11.045 -18.91112 19.04031 
1 1 1   20    8   25 o   49.333   13.898  116.579  130.172   79.625  207.048  140.733  167.393   48.706   20.260   49.959   19.031 -1.252567 27.79627 
1 1 1   20    8   26 o  217.887   6.5618  3142.71  179.387  2902.95  268.625  3335.69  241.001  209.674   10.088  226.099   8.3935 -16.42531 13.12353 
1 1 1   20    8   27 o   55.749   14.333  224.508  135.776  136.616  198.701  301.492  185.963   49.513   20.141   61.984   20.398 -12.47097 28.66585 
1 1 1   20    8   28 o   66.560   13.670  373.698  124.204  304.205  199.839  417.439  158.545   60.108   21.125   73.012   17.355 -12.90359 27.33919 
1 1 1   20   10    0 f  531.109   5.2917 18086.29  313.110 18268.48  364.939 17578.02  609.538  536.302   5.3584  525.915   9.1266 10.38788 10.58332 
1 1 1   20   10    1 o  358.733   4.2115  8279.28  168.021  8394.83  195.842  7957.04  327.047  363.570   4.2417  353.895   7.2771 9.675812 8.423081 
1 1 1   20   10    2 o  821.338   8.0955 42759.66  791.910 42498.61  963.565 43302.94  1390.05  817.703   9.2791  824.973   13.268 -7.269775 16.19101 
1 1 1   20   10    3 o  434.824   4.9102 11957.84  255.741 11849.45  312.668 12176.94  444.524  431.904   5.7006  437.745   7.9964 -5.841522 9.820357 
1 1 1   20   10    4 o  264.213   3.8811  4353.82  108.999  4289.04  123.485  4582.35  231.937  259.874   3.7417  268.552   6.8009 -8.677551 7.762261 
1 1 1   20   10    5 o  467.801   4.8228 13826.44  245.255 13752.40  281.250 14061.45  501.062  465.297   4.7597  470.304   8.3895 -5.006348 9.645644 
1 1 1   20   10    6 o  418.971   4.4825 11058.71  203.413 10971.19  232.731 11341.92  418.652  415.585   4.4098  422.356   7.8054 -6.770752 8.964977 
1 1 1   20   10    7 o  323.433   3.9387  6767.16  139.365  6887.04  161.254  6413.30  277.039  329.269   3.8564  317.598   6.8689 11.67169 7.877388 
1 1 1   20   10    8 f  406.954   4.4274 10554.03  195.394 10575.78  224.245 10485.43  398.215  407.977   4.3282  405.931   7.7248 2.045746 8.854721 
1 1 1   20   10    9 o  479.780   4.9166 14548.42  254.654 14460.91  291.076 14833.95  525.759  476.987   4.8053  482.573   8.5792 -5.585571 9.833294 
1 1 1   20   10   10 o  332.389   4.0005  7291.35  146.053  7579.04  170.357  6493.32  283.734  345.364   3.8842  319.415   6.9949 25.94965 8.000947 
1 1 1   20   10   11 o  344.573   4.0894  7391.62  147.070  7274.21  165.391  7835.25  321.490  338.340   3.8493  350.808   7.2164 -12.46805 8.178843 
1 1 1   20   10   12 o  382.674   4.2732  9162.53  172.952  9040.62  195.628  9598.83  370.090  377.156   4.0844  388.192   7.5073 -11.03577 8.546470 
1 1 1   20   10   13 o  568.281   5.5606 20821.07  351.402 21081.61  409.510 20093.43  684.359  575.641   5.6019  560.922   9.6074 14.71967 11.12127 
1 1 1   20   10   14 o  541.337   5.3905 18637.25  319.514 18593.86  368.020 18770.08  643.900  540.606   5.3606  542.067   9.3538 -1.460815 10.78097 
1 1 1   20   10   15 o  115.242   7.2875  850.224  106.260  849.610  157.090  850.742  144.275  115.164   10.741  115.321   9.8516 -0.1573029 14.57493 
1 1 1   20   10   16 o  217.259   5.3005  3003.05  145.954  3147.58  214.805  2879.11  198.928  222.083   7.6164  212.435   7.3738 9.648529 10.60109 
1 1 1   20   10   17 o  308.906   5.0252  6088.23  197.062  5863.94  276.597  6319.43  280.828  303.112   7.1857  314.699   7.0269 -11.58737 10.05046 
1 1 1   20   10   18 o  194.577   5.7466  2422.66  141.937  2471.96  199.230  2371.84  202.261  196.614   7.9793  192.540   8.2720 4.073074 11.49330 
1 1 1   20   10   19 o  452.967   6.2249 13049.74  355.750 14033.30  541.343 12302.10  471.975  467.716   9.1141  438.217   8.4811 29.49945 12.44971 
1 1 1   20   10   20 o  139.196   7.3363  1245.00  128.594  1274.11  195.861  1222.95  170.486  140.501   10.977  137.890   9.7360 2.610672 14.67270 
1 1 1   20   10   21 o  117.327   7.9974  890.973  118.902  904.231  174.490  879.481  162.460  118.073   11.637  116.582   10.973 1.491150 15.99481 
1 1 1   20   10   22 o   98.929   11.169  695.035  128.488  962.705  178.972  410.334  184.578  121.554   11.594   76.304   19.094 45.25069 22.33871 
1 1 1   20   10   23 o  157.051   6.7254  1598.40  133.982  1662.76  195.242  1541.11  184.199  159.998   9.6091  154.104   9.4123 5.894058 13.45087 
1 1 1   20   10   24 o  170.664   7.3599  1959.92  155.197  1641.77  235.070  2205.74  206.632  157.280   11.769  184.048   8.8408 -26.76741 14.71983 
1 1 1   20   10   25 o   75.841   16.670  461.561  175.061  512.676  275.565  426.973  226.681   78.487   24.747   73.195   22.342 5.291916 33.34010 
1 1 1   20   10   26 o  106.352   10.490  811.635  139.763  733.978  207.257  876.401  189.275  100.511   16.237  112.193   13.285 -11.68227 20.97947 
1 1 1   20   10   27 f   49.314   18.121  182.584  148.951   0.0000   0.0000  182.584  148.951  ?   ?    49.314   18.121      ?      ? 
1 1 1   20   12    0 o  237.600   3.8535  3524.28  105.047  3442.47  123.609  3736.99  199.308  232.773   4.1816  242.426   6.4739 -9.653214 7.706977 
1 1 1   20   12    1 o  372.279   4.2691  8875.49  178.643  8950.35  209.170  8673.68  343.428  375.316   4.3886  369.243   7.3240 6.073120 8.538165 
1 1 1   20   12    2 o  260.319   3.7802  4197.45  110.111  4080.56  127.478  4540.91  218.520  253.429   3.9610  267.210   6.4396 -13.78143 7.560311 
1 1 1   20   12    3 o  242.021   3.8951  3768.73  105.618  3820.59  123.608  3628.47  203.301  245.216   3.9694  238.826   6.7032 6.389816 7.790261 
1 1 1   20   12    4 o  511.590   5.4538 16668.66  333.478 16680.58  407.857 16644.63  579.218  512.096   6.2716  511.085   8.9242 1.010498 10.90756 
1 1 1   20   12    5 o  167.941   4.7782  1780.81   99.783  1729.11  127.817  1861.48  159.668  164.877   6.1045  171.005   7.3524 -6.127777 9.556346 
1 1 1   20   12    6 o  309.814   3.9277  6023.12  133.041  5946.87  152.720  6263.12  270.945  305.918   3.9311  313.710   6.8010 -7.791595 7.855416 
1 1 1   20   12    7 o  350.927   4.1304  7869.06  158.421  7903.82  182.596  7763.22  318.596  352.661   4.0771  349.193   7.1845 3.468201 8.260767 
1 1 1   20   12    8 o  207.188   3.8910  2816.97   86.410  2897.01   99.348  2568.27  175.117  213.521   3.6639  200.854   6.8654 12.66629 7.781910 
1 1 1   20   12    9 o  133.435   4.4917  1047.72   61.196  994.843   67.782  1280.87  142.328  125.103   4.2664  141.766   7.9057 -16.66307 8.983459 
1 1 1   20   12   10 o  205.447   3.8029  2668.11   80.988  2655.80   91.091  2714.54  176.926  204.433   3.5087  206.462   6.7480 -2.028122 7.605702 
1 1 1   20   12   11 o  116.995   5.0114  881.534   53.504  885.713   58.192  858.687  136.060  118.044   3.8819  115.946   9.2405 2.097893 10.02277 
1 1 1   20   12   12 o  341.711   4.0617  7457.85  148.283  7479.29  169.101  7386.50  308.477  343.010   3.8820  340.412   7.1358 2.597900 8.123376 
1 1 1   20   12   13 o  405.199   4.4442 10393.38  193.530 10335.41  220.809 10585.48  401.957  403.134   4.3131  407.265   7.7719 -4.130768 8.888455 
1 1 1   20   12   14 o  115.454   7.5682  853.181  109.135  1077.29  160.186  659.043  149.091  129.674   9.7274  101.235   11.597 28.43898 15.13638 
1 1 1   20   12   15 o  263.867   5.1455  4456.48  171.852  4287.50  250.532  4606.65  236.174  259.062   7.6152  268.673   6.9220 -9.611115 10.29102 
1 1 1   20   12   16 o  177.997   6.1826  2026.76  139.490  2070.50  204.516  1988.71  190.740  179.752   8.9594  176.242   8.5222 3.509277 12.36522 
1 1 1   20   12   17 o  188.808   7.0456  2353.60  164.141  1809.40  240.220  2830.20  224.805  167.446   11.297  210.170   8.4228 -42.72409 14.09122 
1 1 1   20   12   18 o  186.994   6.3894  2258.70  150.802  2044.51  217.952  2455.40  208.869  178.298   9.6258  195.690   8.4048 -17.39224 12.77878 
1 1 1   20   12   19 o   72.072   12.681  351.653  120.266  209.779  163.835  517.431  177.100   57.060   19.158   87.084   16.621 -30.02382 25.36254 
1 1 1   20   12   20 o  248.415   5.4490  3960.01  171.828  4102.83  246.911  3825.89  239.273  252.759   7.6923  244.070   7.7197 8.689651 10.89794 
1 1 1   20   12   21 f   67.993   18.730  328.831  166.887   0.0000   0.0000  328.831  166.887  ?   ?    67.993   18.730      ?      ? 
1 1 1   20   12   22 o  160.326   7.4023  1680.58  150.408  1818.59  220.753  1560.99  205.485  166.458   10.443  154.194   10.494 12.26379 14.80462 
1 1 1   20   12   23 o   73.309   15.104  401.932  150.553  546.402  232.105  297.000  197.810   83.707   21.666   62.911   21.051 20.79650 30.20886 
1 1 1   20   14    0 o  269.690   3.9699  4615.51  123.707  4599.94  146.968  4653.35  229.128  269.012   4.3020  270.369   6.6734 -1.356201 7.939841 
1 1 1   20   14    1 o  143.905   4.7820  1333.42   78.520  1353.20   92.941  1284.07  146.762  145.878   5.0170  141.933   8.1424 3.945145 9.563940 
1 1 1   20   14    2 o  519.370   5.2692 17271.07  305.811 17367.92  356.672 17002.27  594.211  522.546   5.3749  516.195   9.0646 6.351318 10.53833 
1 1 1   20   14    3 o  463.391   4.8561 13698.29  250.273 13724.11  290.862 13624.67  491.181  464.560   4.9302  462.222   8.3678 2.338318 9.712255 
1 1 1   20   14    4 o   53.094   10.079  162.304   63.982  127.005   74.765  258.893  123.674   44.015   12.683   62.173   15.669 -18.15757 20.15897 
1 1 1   20   14    5 o   97.969   6.3567  613.446   69.244  614.241   80.463  611.177  135.950   98.219   6.4510   97.719   10.955 0.4995117 12.71350 
1 1 1   20   14    6 o  416.962   4.5648 11069.25  209.783 11067.04  242.533 11075.79  418.034  417.181   4.5779  416.744   7.8989 0.4371338 9.129601 
1 1 1   20   14    7 o  367.579   4.2921  8710.79  175.185  8829.19  204.035  8378.67  341.731  372.639   4.3116  362.520   7.4229 10.11954 8.584270 
1 1 1   20   14    8 o  115.937   5.5823  862.024   67.863  865.444   76.839  849.897  144.690  116.623   5.1882  115.250   9.8860 1.373039 11.16466 
1 1 1   20   14    9 o  191.923   4.2051  2416.77   84.622  2474.86   96.312  2220.11  177.209  197.301   3.8439  186.544   7.4804 10.75627 8.410261 
1 1 1   20   14   10 o   60.905   9.0062  176.469   55.088  133.592   60.222  396.266  136.350   44.746   10.735   77.063   14.464 -32.31721 18.01246 
1 1 1   20   14   11 o  316.410   4.0077  6437.93  136.722  6493.01  156.775  6262.98  279.402  319.537   3.8635  313.283   7.0229 6.254822 8.015437 
1 1 1   20   14   12 o  310.285   4.0887  6050.52  130.926  5990.68  146.850  6282.41  289.088  306.922   3.7676  313.649   7.2579 -6.727295 8.177495 
1 1 1   20   14   13 o  265.346   4.3796  4346.02  110.725  4274.48  121.044  4712.69  274.049  259.255   3.6765  271.436   7.9503 -12.18192 8.759232 
1 1 1   20   14   14 o  173.779   7.5310  1945.99  165.674  1937.97  243.852  1952.86  225.786  173.344   11.077  174.213   10.206 -0.8687744 15.06200 
1 1 1   20   14   15 o   70.105   13.136  335.243  118.149  367.924  179.084  310.054  157.220   72.986   19.100   67.224   18.040 5.761162 26.27278 
1 1 1   20   14   16 o  152.092   6.8780  1490.24  132.744  1484.71  191.279  1495.39  184.369  151.775   9.9240  152.409   9.5258 -0.6335754 13.75597 
1 1 1   20   14   17 o  173.795   6.7286  1955.26  147.966  1792.11  211.324  2112.19  207.246  166.516   9.9934  181.073   9.0127 -14.55699 13.45722 
1 1 1   20   14   18 o   68.611   13.099  329.839  117.743  271.856  163.330  392.574  169.891   62.545   18.937   74.678   18.103 -12.13338 26.19745 
1 1 1   20   14   19 o  144.708   6.9739  1361.83  126.565  1376.14  195.257  1351.46  166.211  145.083   10.598  144.333   9.0681 0.7492065 13.94785 
1 1 1   20   16    0 o   49.051   11.849  136.165   81.836  122.522   96.465  171.194  154.569   44.495   14.694   53.608   18.593 -9.113018 23.69823 
1 1 1   20   16    1 o  154.056   5.0887  1509.48   88.322  1504.34  103.263  1523.50  170.467  153.731   5.2894  154.382   8.6949 -0.6510468 10.17742 
1 1 1   20   16    2 o  263.354   4.2278  4601.05  128.845  4904.37  156.251  3956.58  227.758  277.671   4.4311  249.037   7.2016 28.63387 8.455682 
1 1 1   20   16    3 f  324.636   4.2353  6750.21  157.078  6797.31  185.700  6631.78  294.492  326.878   4.4735  322.393   7.1930 4.484741 8.470613 
1 1 1   20   16    4 o  266.106   4.1820  4442.31  125.838  4361.66  146.911  4664.50  243.847  261.841   4.4181  270.371   7.1020 -8.529755 8.364097 
1 1 1   20   16    5 o  340.495   4.2679  7455.11  164.652  7537.71  193.860  7241.27  311.928  344.200   4.4351  336.789   7.2932 7.410431 8.535844 
1 1 1   20   16    6 o  105.500   6.3945  691.608   77.105  665.558   90.251  761.999  148.359  102.118   6.9595  108.882   10.730 -6.764069 12.78893 
1 1 1   20   16    7 f  219.630   4.3392  3100.39  105.138  3126.12  121.883  3025.57  207.836  221.655   4.3300  217.606   7.5210 4.049149 8.678351 
1 1 1   20   16    8 o  442.913   5.1777 12462.30  272.604 12332.77  330.841 12736.22  481.101  439.821   5.9233  446.005   8.4941 -6.183899 10.35549 
1 1 1   20   16    9 o  505.846   9.6313 16432.74  618.704   0.0000   0.0000 16432.74  618.704  ?   ?   505.846   9.6313      ?      ? 
1 1 1   20   16   10 o  143.598   6.7023  1315.45   90.772  1310.90   99.326  1338.53  223.594  143.406   5.4540  143.789   12.245 -0.3833160 13.40464 
1 1 1   20   16   11 f  199.378   4.7202  2483.00   93.077  2450.17  102.892  2630.88  218.366  196.207   4.1294  202.549   8.4894 -6.342148 9.440430 
1 1 1   20   16   12 o  145.811   5.4635  1396.92   73.590  1413.62   80.433  1311.07  182.312  149.007   4.2506  142.616   10.066 6.391083 10.92697 
1 1 1   20   16   13 o  184.297   4.5314  2183.25   78.013  2188.92   85.273  2154.15  193.217  185.465   3.6205  183.129   8.3083 2.336105 9.062848 
1 1 1   20   16   14 o  164.210   6.6414  1741.16  138.266  1743.24  201.431  1739.31  190.133  164.224   9.6586  164.196   9.1184 0.2754211E-01 13.28279 
1 1 1   20   16   15 o   94.714   11.785  642.375  132.845  464.603  200.980  780.306  177.033   80.570   19.787  108.858   12.806 -28.28813 23.56949 
1 1 1   20   18    0 o   91.351   9.0893  475.975   98.284  368.168  116.124  748.219  184.536   75.426   12.123  107.275   13.546 -31.84918 18.17867 
1 1 1   20   18    1 o   54.489   13.133  163.098  113.481   70.100  151.078  283.502  171.904   44.264   17.718   64.713   19.390 -20.44911 26.26650 
1 1 1   20   18    2 o  276.223   4.7351  4898.85  155.939  4948.09  190.757  4799.65  270.742  278.615   5.3914  273.831   7.7857 4.784424 9.470121 
1 1 1   20   18    3 o  177.940   5.5556  1996.82  112.690  1959.06  132.232  2097.03  215.388  175.230   5.9422  180.650   9.3887 -5.420441 11.11115 
1 1 1   20   18    4 o  117.230   7.5062  908.929   98.154  935.723  115.201  837.953  187.497  120.919   7.5021  113.541   13.004 7.378021 15.01248 
1 1 1   20   18    5 o  110.902   7.9659  877.186   94.161  969.304  110.750  636.922  178.862  123.104   7.0842   98.700   14.270 24.40443 15.93172 
1 1 1   20   18    6 o   82.011   9.7251  411.985   90.353  366.873  105.819  533.376  173.585   75.308   11.065   88.714   15.996 -13.40658 19.45023 
1 1 1   20   18    7 o  236.703   4.5193  3641.30  120.379  3714.13  141.525  3450.75  228.925  241.432   4.6159  231.973   7.7710 9.459305 9.038569 
1 1 1   20   18    8 o  104.596   7.7497  720.881   87.412  731.635  100.530  687.552  176.976  106.818   7.4109  102.373   13.613 4.445793 15.49948 
1 1 1   20   18    9 o  109.202   7.1828  754.386   85.026  738.106   97.109  807.868  176.007  107.285   7.1276  111.120   12.473 -3.834663 14.36562 
1 1 1   20   18   10 o  283.836   4.7462  5209.66  163.771  5324.15  205.286  5009.23  271.611  288.581   5.6016  279.090   7.6635 9.491333 9.492473 
1 1 1   20   18   11 o  163.783   5.1697  1615.15   90.414  1528.81  101.845  1936.30  196.421  154.652   5.1857  172.915   8.9450 -18.26328 10.33943 
1 1 1   20   18   12 o  236.598   4.2789  3573.11  128.563  3573.11  128.563   0.0000   0.0000  236.598   4.2789  ?   ?       ?      ? 
1 1 1   20   20    0 o  134.725   7.0781  1167.10  109.998  1149.39  130.316  1210.97  205.139  133.611   7.6803  135.839   11.892 -2.228546 14.15628 
1 1 1   20   20    1 o  215.001   5.2862  3096.45  130.533  3286.91  157.389  2676.77  233.633  226.698   5.4670  203.305   9.0491 23.39233 10.57236 
1 1 1   20   20    2 o  214.216   4.9822  3018.25  123.350  3123.41  148.181  2780.93  222.599  221.014   5.2795  207.418   8.4508 13.59592 9.964415 
1 1 1   20   20    3 o  157.602   6.0056  1641.85  106.954  1686.77  126.414  1528.69  200.633  162.182   6.1378  153.022   10.325 9.160126 12.01122 
1 1 1   20   20    4 o  169.892   6.0082  1888.01  114.389  1909.71  133.979  1829.62  219.716  172.523   6.1152  167.260   10.344 5.262558 12.01646 
1 1 1   20   20    5 o   31.549   10.254 -88.3377   95.949  -1.8534  112.040 -326.2338  185.823   33.303   14.411   29.795   14.590 3.507835 20.50727 
1 1 1   20   20    6 o  103.802   9.9508  772.042  114.187  835.520  138.647  638.208  201.318  113.008   9.6611   94.597   17.399 18.41072 19.90166 
1 1 1   20   20    7 o  156.776   7.2289  1589.72  143.923  1589.72  143.923   0.0000   0.0000  156.776   7.2289  ?   ?       ?      ? 
1 1 1   20   20    8 o   94.470   9.8213  588.155  117.826  588.155  117.826   0.0000   0.0000   94.470   9.8213  ?   ?       ?      ? 
1 1 1   20   22    0 o   46.148   12.559  139.067   98.664  171.316  109.408  -1.3719  228.314   48.545   15.624   43.752   19.667 4.792515 25.11727 
1 1 1   20   22    2 o   53.998   17.292  221.685  134.147  221.685  134.147   0.0000   0.0000   53.998   17.292  ?   ?       ?      ? 
1 1 1   20   22    3 o   38.789   16.112   61.139  130.688   61.139  130.688   0.0000   0.0000   38.789   16.112  ?   ?       ?      ? 
1 1 1   20   22    4 o  108.578   10.218  798.334  140.896  798.334  140.896   0.0000   0.0000  108.578   10.218  ?   ?       ?      ? 
1 1 1   20   22    5 o   54.691   17.222  234.190  133.496  234.190  133.496   0.0000   0.0000   54.691   17.222  ?   ?       ?      ? 
1 1 1   20   22    6 o   41.276   16.178  104.989  123.475  104.989  123.475   0.0000   0.0000   41.276   16.178  ?   ?       ?      ? 
1 1 1   21    1    0 o  486.305   5.8970 15022.13  364.178 15022.13  364.178   0.0000   0.0000  486.305   5.8970  ?   ?       ?      ? 
1 1 1   21    1    1 o  359.620   4.1584  8039.23  175.511  7770.52  209.509  8671.57  321.392  349.783   4.7166  369.457   6.8501 -19.67392 8.316814 
1 1 1   21    1    2 o  1287.10   12.363 104962.90  1890.03 103923.10  2292.14 107171.70  3340.73  1277.94   14.124  1296.26   20.294 -18.31934 24.72529 
1 1 1   21    1    3 o  432.352   4.6756 11846.01  241.240 11791.01  294.180 11958.93  421.527  430.858   5.3765  433.846   7.6509 -2.987793 9.351115 
1 1 1   21    1    4 o  262.205   2.9083  4364.20   96.815  4274.23  135.086  4459.22  138.825  259.428   4.1003  264.982   4.1255 -5.554413 5.816513 
1 1 1   21    1    5 o  755.851   6.0758 36297.09  583.137 36683.65  832.156 35924.12  817.403  759.803   8.6243  751.900   8.5605 7.902893 12.15160 
1 1 1   21    1    6 o  223.450   2.8320  3161.75   80.234  3011.43  109.743  3334.36  117.601  217.761   3.9684  229.139   4.0414 -11.37781 5.664035 
1 1 1   21    1    7 f  511.625   4.3572 16626.07  283.095 16684.78  401.231 16567.88  399.488  512.524   6.1646  510.725   6.1594 1.798523 8.714368 
1 1 1   21    1    8 o  1060.45   11.824 71496.07  1592.39 71496.07  1592.39   0.0000   0.0000  1060.45   11.824  ?   ?       ?      ? 
1 1 1   21    1    9 o  682.627   6.8579 29472.15  556.932 29214.56  676.494 30013.95  981.099  678.119   7.8556  687.135   11.243 -9.016113 13.71577 
1 1 1   21    1   10 o  379.934   5.1232  9167.96  247.189  9167.96  247.189   0.0000   0.0000  379.934   5.1232  ?   ?       ?      ? 
1 1 1   21    1   11 o  1107.74   8.7129 77994.70  1225.20 76704.40  1704.20 79375.05  1762.66  1098.27   12.219  1117.20   12.424 -18.92761 17.42575 
1 1 1   21    1   12 o  1141.81   11.017 82680.93  1497.21 83947.63  2632.90 82075.56  1820.15  1147.71   18.064  1135.91   12.618 11.80029 22.03489 
1 1 1   21    1   13 o  115.421   3.8100  846.396   55.833  827.428   79.013  865.314   78.908  114.128   5.4517  116.713   5.3238 -2.584831 7.619936 
1 1 1   21    1   14 o  135.440   3.4872  1170.02   59.484  989.064   83.514  1356.36   84.747  124.763   5.2710  146.117   4.5671 -21.35364 6.974421 
1 1 1   21    1   15 o  450.457   3.9842 12875.25  227.638 13388.60  332.043 12420.01  312.687  458.907   5.6976  442.008   5.5706 16.89917 7.968325 
1 1 1   21    1   16 o  411.214   3.7660 10749.62  196.648 10626.65  275.827 10876.73  280.435  408.824   5.3128  413.603   5.3391 -4.779755 7.532073 
1 1 1   21    1   17 o  280.595   3.1767  5001.25  113.129  5097.67  163.385  4912.46  156.796  283.187   4.5432  278.002   4.4413 5.185516 6.353399 
1 1 1   21    1   18 o  284.865   3.2054  5150.59  115.853  5364.30  168.236  4957.83  159.773  290.474   4.5607  279.256   4.5053 11.21756 6.410748 
1 1 1   21    1   19 o  664.430   5.4806 28148.13  462.434 28241.47  656.109 28055.98  651.872  665.520   7.7631  663.339   7.7384 2.180359 10.96123 
1 1 1   21    1   20 o  363.407   3.5648  8384.56  164.319  8782.34  239.658  8031.67  225.731  371.518   5.0797  355.297   5.0029 16.22141 7.129659 
1 1 1   21    1   21 o  168.588   3.5591  1803.29   76.062  1955.45  110.943  1668.33  104.484  175.281   4.9841  161.895   5.0821 13.38647 7.118177 
1 1 1   21    1   22 o  196.581   3.6246  2449.92   90.230  2722.04  132.225  2212.76  123.437  206.761   5.0358  186.400   5.2146 20.36156 7.249223 
1 1 1   21    1   23 f  543.197   4.8390 18775.12  332.953 17912.82  451.665 19801.42  492.746  529.646   6.7151  556.747   6.9693 -27.10114 9.677979 
1 1 1   21    1   24 o  466.470   4.2669 13868.24  252.556 13433.05  348.582 14349.12  366.421  458.797   5.9828  474.142   6.0855 -15.34479 8.533889 
1 1 1   21    1   25 o  290.539   3.5520  5374.96  130.938  5577.31  190.161  5192.53  180.559  295.720   5.0636  285.357   4.9826 10.36307 7.103978 
1 1 1   21    1   26 o  257.222   3.5798  4224.96  116.932  4232.06  166.150  4218.00  164.594  257.431   5.0823  257.014   5.0429 0.4166260 7.159662 
1 1 1   21    1   27 o  316.511   3.6115  6409.23  145.122  6343.77  202.486  6478.38  208.097  314.870   5.0639  318.151   5.1506 -3.281097 7.222968 
1 1 1   21    1   28 o  153.636   5.2154  1533.17  101.668  1559.78  141.699  1504.94  145.957  155.092   7.1945  152.180   7.5525 2.911896 10.43075 
1 1 1   21    1   29 o  141.422   5.0140  1304.77   89.991  1292.18  129.207  1316.64  125.412  140.684   7.2321  142.160   6.9468 -1.476028 10.02801 
1 1 1   21    1   30 f   36.270   10.837   44.442   86.544   78.055  109.037 -12.7859  142.272   37.863   15.087   34.677   15.561 3.186043 21.67401 
1 1 1   21    3    0 o  247.574   2.9888  3886.65   93.832  4193.39  135.372  3603.01  130.176  256.961   4.1484  238.185   4.3037 18.77614 5.977539 
1 1 1   21    3    1 o  591.770   4.9125 22247.40  369.175 22241.64  521.607 22253.17  522.578  591.693   6.9417  591.846   6.9529 -0.1528320 9.824987 
1 1 1   21    3    2 o  546.604   4.5971 18962.52  318.921 19466.15  460.725 18499.18  441.908  553.564   6.5538  539.644   6.4483 13.92004 9.194222 
1 1 1   21    3    3 o  447.273   5.5496 12706.66  315.218 12706.66  315.218   0.0000   0.0000  447.273   5.5496  ?   ?       ?      ? 
1 1 1   21    3    4 o  502.522   4.2963 16011.22  273.828 15491.06  375.901 16599.33  399.697  493.844   5.9939  511.199   6.1569 -17.35526 8.592661 
1 1 1   21    3    5 o  798.847   6.3984 40550.59  649.085 40428.34  914.630 40674.63  921.297  797.635   9.0295  800.059   9.0678 -2.423523 12.79672 
1 1 1   21    3    6 o  441.894   4.7952 12381.27  252.820 12338.00  308.326 12470.05  441.686  440.748   5.5086  443.040   7.8504 -2.291412 9.590302 
1 1 1   21    3    7 o  558.914   4.7074 19770.45  333.277 18873.52  452.183 20837.13  493.123  545.091   6.5323  572.737   6.7799 -27.64575 9.414776 
1 1 1   21    3    8 o  301.583   4.5709  5776.21  175.060  5776.21  175.060   0.0000   0.0000  301.583   4.5709  ?   ?       ?      ? 
1 1 1   21    3    9 o  1013.08   8.0065 65244.28  1030.03 65630.17  1464.67 64866.70  1448.82  1016.04   11.351  1010.12   11.294 5.921021 16.01306 
1 1 1   21    3   10 o  608.977   5.0558 23556.41  390.954 23772.21  557.511 23347.62  548.387  611.719   7.1767  606.234   7.1231 5.485168 10.11155 
1 1 1   21    3   11 o  988.401   7.8189 62101.29  981.284 61468.54  1373.95 62760.10  1401.97  983.269   11.003  993.532   11.112 -10.26361 15.63777 
1 1 1   21    3   12 o  526.318   4.4795 17588.15  299.286 17954.72  430.548 17245.40  416.319  531.619   6.3774  521.016   6.2921 10.60327 8.958900 
1 1 1   21    3   13 o  518.686   4.4344 17095.80  292.088 17105.69  413.417 17085.95  412.733  518.835   6.2745  518.536   6.2678 0.2990112 8.868737 
1 1 1   21    3   14 o  475.011   4.1478 14337.68  250.156 14114.44  349.435 14572.36  358.280  471.222   5.8393  478.800   5.8924 -7.578217 8.295652 
1 1 1   21    3   15 o  670.536   5.4983 28618.38  468.122 28941.67  669.393 28308.95  654.894  674.232   7.8180  666.840   7.7334 7.391602 10.99665 
1 1 1   21    3   16 o  257.982   3.0633  4225.39  100.281  4339.30  145.359  4121.94  138.524  261.293   4.3806  254.671   4.2832 6.622910 6.126630 
1 1 1   21    3   17 o  285.293   3.1943  5172.77  115.708  5033.00  162.378  5316.96  164.922  281.377   4.5442  289.209   4.4904 -7.832550 6.388598 
1 1 1   21    3   18 o  345.247   4.2550  7670.01  177.698  7873.16  221.606  7304.15  297.398  351.850   4.9596  338.644   6.9154 13.20535 8.510013 
1 1 1   21    3   19 o  112.401   4.2071  805.237   59.959  784.502   86.578  824.346   83.116  111.000   6.1420  113.803   5.7511 -2.803238 8.414237 
1 1 1   21    3   20 o  244.847   3.1493  3812.97   97.922  3797.75  138.044  3828.39  138.926  244.355   4.4485  245.338   4.4590 -0.9827118 6.298616 
1 1 1   21    3   21 f   73.813   6.5217  351.556   60.566  300.530   86.409  400.836   84.916   68.457   9.9395   79.169   8.4462 -10.71164 13.04345 
1 1 1   21    3   22 o  268.821   3.4809  4601.42  118.826  4568.47  168.401  4634.09  167.691  267.859   4.9506  269.784   4.8946 -1.925354 6.961735 
1 1 1   21    3   23 o  370.948   3.8246  8770.99  180.157  8709.14  255.577  8832.06  253.992  369.638   5.4446  372.257   5.3728 -2.618195 7.649221 
1 1 1   21    3   24 o  359.448   3.7120  8238.17  169.407  8198.56  241.752  8276.38  237.461  358.582   5.3089  360.313   5.1896 -1.731171 7.424043 
1 1 1   21    3   25 o  162.698   4.0859  1697.46   83.951  1493.28  118.774  1901.31  118.677  152.823   6.1200  172.573   5.4152 -19.74957 8.171867 
1 1 1   21    3   26 o  163.117   4.0658  1702.96   84.220  1696.59  119.197  1709.31  119.013  162.808   5.7652  163.425   5.7345 -0.6163788 8.131541 
1 1 1   21    3   27 o   52.271   9.9495  184.854   71.572   99.596   98.150  281.673  104.594   40.824   14.754   63.718   13.353 -22.89459 19.89908 
1 1 1   21    3   29 o   62.130   12.904  311.783  115.039  191.688  177.357  399.006  151.147   51.807   19.624   72.454   16.760 -20.64631 25.80722 
1 1 1   21    3   30 o   64.044   13.387  348.926  123.701  222.175  179.172  464.371  170.994   52.511   19.763   75.576   18.062 -23.06527 26.77322 
1 1 1   21    5    0 o  527.609   5.4899 17631.98  345.754 17528.71  421.610 17844.08  604.204  525.310   6.3200  529.909   8.9785 -4.598572 10.97982 
1 1 1   21    5    1 o  780.387   6.2810 38695.76  622.411 38472.60  873.548 38925.88  887.051  778.105   8.8404  782.670   8.9247 -4.564758 12.56193 
1 1 1   21    5    2 o  400.868   3.7200 10192.17  189.147  9937.32  260.025 10478.57  275.647  395.555   5.1764  406.181   5.3439 -10.62610 7.439936 
1 1 1   21    5    3 o  719.260   5.8377 32859.58  533.125 33360.37  762.758 32381.26  745.446  724.615   8.2890  713.905   8.2224 10.70929 11.67541 
1 1 1   21    5    4 o  1001.96   9.7347 63530.48  1160.84 64763.40  2043.74 62943.26  1410.44  1008.83   15.953  995.103   11.161 13.72186 19.46942 
1 1 1   21    5    6 o  500.040   4.3611 15879.77  276.916 16101.32  394.334 15664.22  388.957  503.480   6.1674  496.599   6.1676 6.880890 8.722202 
1 1 1   21    5    7 o  1352.62   10.576 116411.70  1816.65 116353.70  2566.87 116469.80  2571.39  1352.28   14.947  1352.95   14.966 -0.6710205 21.15183 
1 1 1   21    5    8 o  329.040   3.4609  6874.77  144.497  6843.66  200.120  6908.67  208.860  328.263   4.8005  329.816   4.9866 -1.552582 6.921812 
1 1 1   21    5    9 o  206.647   3.2563  2704.94   85.333  2526.62  117.487  2904.04  124.146  199.457   4.6383  213.837   4.5717 -14.37955 6.512617 
1 1 1   21    5   10 o  649.446   5.3481 26798.41  441.081 26843.65  623.905 26753.21  623.659  649.995   7.5584  648.898   7.5682 1.096436 10.69615 
1 1 1   21    5   11 o  501.224   4.3387 15916.62  275.614 15310.44  375.646 16623.43  405.633  490.920   6.0255  511.528   6.2443 -20.60764 8.677429 
1 1 1   21    5   12 o  1523.36   11.921 148199.91  2305.92 149648.50  3293.74 146807.30  3229.33  1530.61   16.945  1516.10   16.773 14.50854 23.84251 
1 1 1   21    5   13 o  652.966   5.3747 27101.94  445.419 26544.38  617.359 27707.29  643.275  645.979   7.5256  659.954   7.6755 -13.97449 10.74932 
1 1 1   21    5   14 o  425.057   3.8615 11485.12  208.417 11607.15  297.423 11367.39  292.140  427.273   5.4814  422.841   5.4405 4.431793 7.722986 
1 1 1   21    5   15 o  501.619   4.3371 16003.92  276.255 15821.04  387.283 16193.38  394.175  498.705   6.1152  504.533   6.1521 -5.828583 8.674282 
1 1 1   21    5   16 o  439.962   3.9480 12307.07  220.510 12496.03  316.678 12129.22  307.232  443.233   5.6261  436.691   5.5401 6.542297 7.895907 
1 1 1   21    5   17 o  329.806   3.3521  6910.12  140.332  6676.94  195.098  7160.10  202.002  324.046   4.7410  335.566   4.7402 -11.51993 6.704228 
1 1 1   21    5   18 o  443.892   4.0086 12539.14  225.957 12378.97  318.202 12702.05  320.918  441.031   5.6814  446.753   5.6565 -5.722748 8.017138 
1 1 1   21    5   19 o  396.970   3.7217 10026.09  187.564 10136.46  269.115  9921.83  261.556  399.085   5.3100  394.854   5.2162 4.231720 7.443416 
1 1 1   21    5   20 o  203.715   3.2205  2640.88   83.260  2519.53  117.315  2764.04  118.186  198.991   4.6424  208.440   4.4649 -9.448547 6.441011 
1 1 1   21    5   21 o  210.012   3.3020  2805.88   87.985  2776.72  121.590  2837.94  127.478  208.876   4.5838  211.148   4.7541 -2.271576 6.604047 
1 1 1   21    5   23 o  444.221   4.0825 12584.85  230.271 12370.86  322.405 12807.69  329.001  440.371   5.7651  448.072   5.7819 -7.701447 8.164963 
1 1 1   21    5   24 o  208.109   3.5224  2762.31   93.051  2667.90  131.590  2856.74  131.598  204.537   5.0661  211.682   4.8954 -7.145340 7.044874 
1 1 1   21    5   25 o  108.046   5.0508  748.395   69.245  708.374   96.154  791.511   99.802  105.038   7.2085  111.054   7.0767 -6.015106 10.10154 
1 1 1   21    5   26 o  216.554   3.4531  2997.96   94.884  2994.69  131.502  3001.51  137.043  216.460   4.7838  216.647   4.9811 -0.1869507 6.906253 
1 1 1   21    5   27 f  161.074   5.3290  1731.44   97.211  1795.84  115.401  1574.06  180.392  167.215   5.4345  154.932   9.1685 12.28369 10.65809 
1 1 1   21    5   28 o  120.320   8.1617  980.527  120.264  985.170  197.467  977.789  151.629  119.510   13.011  121.129   9.8572 -1.619194 16.32337 
1 1 1   21    5   29 o   44.958   12.948  118.169  115.839   77.075  189.741  142.586  146.259   43.933   18.881   45.983   17.722 -2.049637 25.89520 
1 1 1   21    7    0 o  537.981   5.7328 18496.09  377.738 17974.36  618.168 18806.99  477.193  531.847   9.1525  544.116   6.9060 -12.26862 11.46567 
1 1 1   21    7    1 o  280.453   3.7653  4994.04  132.458  4985.88  174.152  5005.22  204.022  280.188   4.8944  280.719   5.7230 -0.5314941 7.530514 
1 1 1   21    7    2 o  598.287   7.1245 22738.66  541.303 22738.66  541.303   0.0000   0.0000  598.287   7.1245  ?   ?       ?      ? 
1 1 1   21    7    3 o  949.920   7.5823 57325.68  914.193 56507.86  1268.89 58208.35  1318.25  942.891   10.597  956.950   10.848 -14.05902 15.16465 
1 1 1   21    7    4 o  543.372   4.7573 18721.53  327.975 19711.63  475.490 17822.93  452.983  557.052   6.7215  529.692   6.7341 27.35962 9.514585 
1 1 1   21    7    5 o  551.551   6.6629 19324.27  466.691 19324.27  466.691   0.0000   0.0000  551.551   6.6629  ?   ?       ?      ? 
1 1 1   21    7    6 o  1133.58   8.9318 81585.09  1284.22 84339.57  1873.21 79142.39  1764.02  1151.58   12.809  1115.58   12.452 35.99622 17.86368 
1 1 1   21    7    7 o  608.728   5.1086 23537.04  394.819 23359.22  551.457 23724.04  565.526  606.372   7.1613  611.083   7.2874 -4.710999 10.21722 
1 1 1   21    7    8 o  668.728   5.5144 28405.80  468.221 28948.96  669.553 27885.97  655.014  674.981   7.8112  662.474   7.7858 12.50684 11.02874 
1 1 1   21    7    9 o  352.320   3.5699  7891.76  159.530  8059.78  221.680  7711.27  229.756  356.217   4.9004  348.423   5.1926 7.793823 7.139805 
1 1 1   21    7   10 o  257.193   3.2768  4213.79  106.706  4522.35  149.491  3893.26  152.361  266.824   4.4118  247.562   4.8463 19.26280 6.553669 
1 1 1   21    7   11 o  368.622   3.5851  8637.51  167.767  8850.13  236.301  8421.41  238.228  373.202   4.9859  364.042   5.1531 9.160553 7.170297 
1 1 1   21    7   12 o  189.337   3.3074  2280.66   78.603  2294.50  103.746  2262.00  120.434  190.025   4.2992  188.648   5.0271 1.376511 6.614723 
1 1 1   21    7   13 f  368.795   3.5527  8640.00  166.275  8484.49  230.183  8809.69  240.450  365.333   4.9614  372.258   5.0863 -6.924530 7.105373 
1 1 1   21    7   14 o  288.609   3.2065  5285.28  117.387  5107.33  161.385  5485.22  171.059  283.463   4.4832  293.756   4.5854 -10.29257 6.412908 
1 1 1   21    7   15 o  270.662   3.2018  4646.93  109.833  4505.31  149.818  4811.49  161.492  266.220   4.4314  275.104   4.6225 -8.883759 6.403517 
1 1 1   21    7   16 o  112.653   4.2038  821.760   58.834  892.683   77.771  726.859   89.962  118.466   5.1694  106.839   6.6306 11.62795 8.407596 
1 1 1   21    7   17 o  354.220   3.5300  7978.48  158.741  7865.77  221.140  8098.29  228.004  351.645   4.9520  356.794   5.0321 -5.149261 7.060056 
1 1 1   21    7   18 o  364.683   3.5741  8457.37  165.459  8782.91  237.177  8148.74  230.936  371.519   5.0271  357.847   5.0818 13.67236 7.148133 
1 1 1   21    7   19 o  385.682   3.6994  9467.34  181.140  9342.93  252.586  9599.06  259.911  383.082   5.1921  388.282   5.2711 -5.199677 7.398774 
1 1 1   21    7   20 o  193.162   3.1804  2373.78   77.983  2470.89  111.254  2279.98  109.341  197.050   4.4459  189.275   4.5490 7.774826 6.360769 
1 1 1   21    7   21 o  517.035   6.4490 17062.95  423.437   0.0000   0.0000 17062.95  423.437  ?   ?   517.035   6.4490      ?      ? 
1 1 1   21    7   22 f  119.501   4.1301  907.716   61.540  893.705   79.514  928.645   97.183  118.407   5.2880  120.596   6.3457 -2.189102 8.260166 
1 1 1   21    7   23 o  284.144   3.3956  5147.63  122.494  5226.13  172.139  5067.09  174.349  286.355   4.7337  281.933   4.8696 4.421448 6.791224 
1 1 1   21    7   24 o  188.408   3.4442  2270.78   82.013  2328.76  111.518  2202.48  121.033  191.085   4.5956  185.731   5.1315 5.354431 6.888492 
1 1 1   21    7   25 o  218.510   4.5960  3002.78  108.666  2945.48  124.020  3192.17  225.471  214.764   4.5473  222.257   7.9884 -7.493027 9.191933 
1 1 1   21    7   26 o  127.002   8.0129  1072.95  129.208  1103.78  184.432  1043.23  181.068  128.824   11.274  125.181   11.390 3.642166 16.02584 
1 1 1   21    7   27 o  157.743   7.8435  1691.69  155.179  1488.20  227.422  1868.97  212.273  147.921   12.107  167.565   9.9755 -19.64383 15.68699 
1 1 1   21    7   28 o  140.482   7.9674  1347.41  140.004  1392.80  218.676  1315.87  182.255  141.617   12.159  139.348   10.299 2.268784 15.93489 
1 1 1   21    7   29 o   39.192   12.441 -91.9491  132.367  197.948  215.249 -268.2471  167.858   50.766   20.842   27.618   13.593 23.14807 24.88274 
1 1 1   21    9    0 o  716.429   7.1313 32815.02  616.067 33245.25  762.764 32007.77  1044.84  723.340   8.3037  709.519   11.596 13.82068 14.26251 
1 1 1   21    9    1 o  324.721   4.0298  6639.29  143.281  6583.50  164.750  6812.48  290.273  321.973   4.0293  327.470   6.9800 -5.497559 8.059541 
1 1 1   21    9    2 o  427.798   4.5957 11498.18  214.313 11379.59  245.787 11874.31  437.728  423.294   4.5723  432.302   7.9733 -9.007416 9.191315 
1 1 1   21    9    3 o  258.848   4.2151  4329.79  131.940  4513.91  165.220  4005.69  219.205  266.592   4.8802  251.105   6.8741 15.48729 8.430298 
1 1 1   21    9    4 o  553.911   5.7680 19659.45  386.795 20051.99  481.925 18948.82  648.428  561.812   6.7548  546.009   9.3516 15.80353 11.53597 
1 1 1   21    9    5 o  810.455   8.0187 41541.55  771.736 41122.43  935.576 42433.91  1365.15  804.326   9.1594  816.583   13.164 -12.25757 16.03741 
1 1 1   21    9    6 o  312.566   3.6379  6176.66  142.408  6035.73  185.563  6378.59  222.121  308.259   4.7402  316.874   5.5198 -8.614838 7.275868 
1 1 1   21    9    7 o  214.191   3.6057  2931.93   96.065  3004.97  124.772  2825.60  150.541  217.499   4.5174  210.883   5.6213 6.615250 7.211469 
1 1 1   21    9    8 o  877.496   7.0567 49021.87  786.247 48817.16  1101.55 49234.48  1122.60  875.646   9.9059  879.346   10.053 -3.699585 14.11334 
1 1 1   21    9    9 o  340.552   3.6502  7397.47  157.007  7667.33  213.644  7080.57  231.514  347.348   4.8434  333.755   5.4623 13.59366 7.300317 
1 1 1   21    9   10 o  232.781   3.4235  3411.20   98.737  3300.23  125.523  3591.30  159.909  227.887   4.3374  237.676   5.2980 -9.788834 6.846984 
1 1 1   21    9   11 o  195.900   3.5169  2443.55   84.537  2454.81  106.734  2424.60  138.479  196.537   4.2764  195.263   5.5845 1.273819 7.033807 
1 1 1   21    9   12 o  304.837   3.4674  5899.14  133.084  5842.04  176.624  5974.15  202.421  303.157   4.5878  306.517   5.2002 -3.360321 6.934735 
1 1 1   21    9   13 o  486.607   6.0263 15066.80  372.400 15066.80  372.400   0.0000   0.0000  486.607   6.0263  ?   ?       ?      ? 
1 1 1   21    9   14 o  177.818   4.1270  1919.75   80.785  1833.74   92.394  2198.97  166.465  169.839   4.2838  185.796   7.0552 -15.95743 8.253901 
1 1 1   21    9   15 o   32.765   9.4968   31.864   47.961   33.825   51.866   20.296  125.988   27.733   10.586   37.797   15.770 -10.06436 18.99356 
1 1 1   21    9   16 o  314.724   4.2724  6386.69  158.317  6524.24  192.071  6095.19  279.611  320.257   4.7227  309.191   7.1212 11.06561 8.544841 
1 1 1   21    9   17 o  418.453   4.5567 11310.75  209.973 11466.36  243.534 10860.00  414.485  424.547   4.5171  412.358   7.9151 12.18872 9.113321 
1 1 1   21    9   18 o   56.256   17.651  206.549  140.371   0.0000   0.0000  206.549  140.371  ?   ?    56.256   17.651      ?      ? 
1 1 1   21    9   19 o   47.213   12.772   51.929  116.472  218.725  175.936 -78.2038  155.402   58.890   19.852   35.536   16.076 23.35379 25.54485 
1 1 1   21    9   20 o  209.741   5.2927  2813.85  140.974  2823.89  199.512  2803.84  199.222  210.117   7.4771  209.366   7.4930 0.7505341 10.58541 
1 1 1   21    9   21 o  161.465   6.1714  1674.05  126.348  1798.89  180.313  1553.63  177.096  167.429   8.4804  155.501   8.9681 11.92828 12.34278 
1 1 1   21    9   22 o  372.024   5.7137  8894.33  269.569  8829.48  390.801  8953.20  372.327  370.609   8.3035  373.439   7.8510 -2.830322 11.42747 
1 1 1   21    9   23 o  215.138   6.2298  3006.49  168.876  2836.47  250.587  3147.97  228.582  209.266   9.4293  221.011   8.1442 -11.74445 12.45959 
1 1 1   21    9   24 o  111.293   9.9643  838.215  138.355  798.134  213.123  867.410  181.895  108.334   15.491  114.252   12.537 -5.918716 19.92852 
1 1 1   21    9   25 o  123.406   10.214  1047.28  155.155  1039.74  250.610  1051.96  197.573  121.844   16.196  124.968   12.449 -3.123932 20.42817 
1 1 1   21    9   26 o   36.011   12.014 -148.1004  139.647 -113.6278  220.269 -171.2679  180.575   39.040   18.190   32.983   15.700 6.056698 24.02884 
1 1 1   21    9   27 o   92.772   11.248  619.725  127.435  751.308  208.163  540.851  161.165  100.430   16.322   85.114   15.481 15.31618 22.49545 
1 1 1   21    9   28 o  136.616   10.939  1301.91  189.781   0.0000   0.0000  1301.91  189.781  ?   ?   136.616   10.939      ?      ? 
1 1 1   21   11    0 o  107.685   5.6924  724.260   69.452  708.958   81.115  766.290  134.433  105.624   6.0473  109.745   9.6459 -4.120567 11.38479 
1 1 1   21   11    1 o  351.592   4.1384  7685.74  160.734  7518.12  185.059  8200.59  324.330  344.024   4.2359  359.161   7.1108 -15.13666 8.276874 
1 1 1   21   11    2 o  459.512   4.7652 13453.31  241.796 13484.27  279.959 13362.43  479.721  460.690   4.7853  458.333   8.2420 2.357483 9.530417 
1 1 1   21   11    3 o  244.292   3.7827  3768.97  102.869  3743.81  119.343  3841.70  202.911  242.765   3.8711  245.819   6.5000 -3.053787 7.565389 
1 1 1   21   11    4 o  547.691   5.4462 18694.83  320.422 18364.16  364.433 19821.20  672.605  537.526   5.3388  557.855   9.4943 -20.32874 10.89236 
1 1 1   21   11    5 o  250.378   3.8487  4025.95  105.574  4066.70  121.999  3904.44  210.667  253.002   3.7971  247.755   6.6957 5.247192 7.697459 
1 1 1   21   11    6 o   97.841   5.9017  593.349   61.320  580.406   69.341  639.784  131.339   95.539   5.7152  100.144   10.327 -4.604836 11.80342 
1 1 1   21   11    7 o  500.550   5.0589 16116.07  280.072 16295.27  325.304 15602.76  550.582  506.285   5.0596  494.815   8.7620 11.46973 10.11788 
1 1 1   21   11    8 o  277.681   3.8238  4888.44  112.928  4876.26  128.358  4930.16  237.565  277.028   3.6486  278.333   6.7211 -1.304565 7.647548 
1 1 1   21   11    9 o  172.586   4.1698  1918.58   70.659  1932.57   78.322  1857.40  163.794  174.400   3.5364  170.771   7.5528 3.629852 8.339675 
1 1 1   21   11   10 o  548.086   5.4299 19127.98  324.797 19116.96  373.664 19162.04  656.921  548.242   5.3670  547.930   9.4408 0.3123779 10.85975 
1 1 1   21   11   11 o  386.641   4.2464  9626.24  180.665  9742.14  209.346  9288.06  357.607  391.479   4.2109  381.803   7.3755 9.676300 8.492895 
1 1 1   21   11   12 o  124.200   5.0972  1064.69   54.679  1097.88   59.251  874.158  141.947  131.436   3.5498  116.964   9.5564 14.47182 10.19442 
1 1 1   21   11   13 f  358.672   4.1198  8265.30  159.823  8335.49  183.515  8044.89  325.201  362.100   3.9908  355.245   7.2085 6.855011 8.239511 
1 1 1   21   11   14 o  338.389   4.1243  7344.38  147.905  7387.91  168.240  7196.24  310.346  340.885   3.8864  335.893   7.2756 4.991638 8.248516 
1 1 1   21   11   15 o  255.190   4.9855  4150.89  161.182  4210.18  236.968  4099.84  219.882  256.846   7.2651  253.533   6.8293 3.313187 9.970997 
1 1 1   21   11   16 o  194.975   5.8469  2434.58  143.557  2407.57  216.869  2455.65  191.525  193.916   8.8066  196.035   7.6934 -2.118866 11.69374 
1 1 1   21   11   17 o  212.338   5.9167  2889.87  158.246  2857.51  238.795  2915.22  211.305  211.162   8.9050  213.514   7.7930 -2.351288 11.83342 
1 1 1   21   11   18 o   57.351   14.102  197.052  127.966  134.841  180.309  260.187  181.641   51.953   19.761   62.749   20.124 -10.79597 28.20409 
1 1 1   21   11   19 o  179.761   6.2539  2077.83  141.656  2051.52  213.288  2098.60  189.482  178.610   9.4034  180.912   8.2475 -2.301651 12.50781 
1 1 1   21   11   20 o   86.827   11.969  553.963  134.461  159.192  192.770  928.025  187.646   54.312   20.486  119.341   12.381 -65.02976 23.93720 
1 1 1   21   11   21 o   97.143   11.092  632.359  128.670  910.651  193.504  411.784  172.273  117.714   12.944   76.572   18.017 41.14252 22.18478 
1 1 1   21   11   22 o  126.946   8.1735  1063.58  130.999  937.525  185.508  1188.96  185.016  119.141   12.261  134.750   10.812 -15.60872 16.34708 
1 1 1   21   11   23 o  242.902   5.7148  3829.81  176.056  3572.16  246.130  4099.75  251.933  234.414   8.2681  251.389   7.8915 -16.97537 11.42965 
1 1 1   21   11   24 o  481.462   6.9902 15287.63  426.365 14021.54  582.054 16753.62  626.319  459.885   9.9663  503.040   9.8043 -43.15448 13.98041 
1 1 1   21   13    0 o  292.807   4.1277  5386.42  141.935  5281.14  170.050  5628.21  257.709  288.240   4.6456  297.374   6.8242 -9.133759 8.255375 
1 1 1   21   13    1 o  506.230   5.1828 15669.43  278.991 15163.69  314.921 17514.10  601.450  488.362   5.0779  524.099   9.0367 -35.73679 10.36564 
1 1 1   21   13    2 o  117.044   5.6865  916.497   71.792  960.280   83.241  789.357  141.848  122.886   5.3341  111.203   10.044 11.68257 11.37294 
1 1 1   21   13    3 o  267.640   3.8674  4480.37  115.741  4399.45  134.246  4714.68  228.447  263.109   4.0178  272.170   6.6095 -9.060883 7.734846 
1 1 1   21   13    4 o  368.002   4.2202  8531.74  171.478  8446.77  197.942  8787.31  343.284  364.544   4.2757  371.460   7.2772 -6.915955 8.440360 
1 1 1   21   13    5 o  200.519   4.0443  2527.32   89.437  2496.84  103.126  2619.83  179.643  198.202   4.0972  202.836   6.9741 -4.634003 8.088564 
1 1 1   21   13    6 o  340.132   4.0945  7402.56  153.462  7445.09  177.658  7277.54  304.598  342.245   4.0876  338.020   7.0959 4.225006 8.189046 
1 1 1   21   13    7 o  380.224   4.3016  9193.74  178.750  9185.91  205.754  9217.82  360.940  380.128   4.2623  380.320   7.4732 -0.1919250 8.603266 
1 1 1   21   13    8 o  234.499   3.8600  3413.87   96.771  3344.11  109.767  3657.28  205.033  229.378   3.7683  239.619   6.7379 -10.24089 7.720054 
1 1 1   21   13    9 o  204.450   3.8447  2676.13   83.911  2690.00   95.713  2630.07  174.435  205.724   3.6636  203.176   6.7606 2.548294 7.689446 
1 1 1   21   13   10 o  439.789   4.6688 12357.08  223.945 12388.59  257.763 12260.06  452.262  441.333   4.5991  438.246   8.1263 3.087524 9.337526 
1 1 1   21   13   11 o   77.183   6.7042  298.516   48.874  264.885   52.463  519.424  134.459   64.471   6.4078   89.895   11.778 -25.42362 13.40836 
1 1 1   21   13   12 o  375.849   4.2850  8979.75  173.057  8960.39  197.608  9043.46  358.483  375.340   4.1458  376.358   7.5005 -1.017883 8.569990 
1 1 1   21   13   13 o  310.637   4.0684  6213.97  132.786  6266.03  150.625  6032.42  281.290  313.900   3.7786  307.375   7.2063 6.524841 8.136815 
1 1 1   21   13   14 o  232.132   5.5202  3447.78  162.288  3413.13  237.774  3478.00  222.050  230.975   8.1063  233.288   7.4952 -2.312027 11.04035 
1 1 1   21   13   15 o  235.908   6.1821  3573.62  183.835  3521.02  276.199  3615.46  246.323  234.201   9.2866  237.615   8.1631 -3.413483 12.36430 
1 1 1   21   13   16 o   40.260   12.116 -34.5727  117.445 -180.1348  169.919   98.577  162.513   32.961   15.553   47.559   18.582 -14.59837 24.23194 
1 1 1   21   13   17 o  168.958   6.3928  1834.89  137.116  1851.58  196.939  1819.19  191.018  169.680   9.1395  168.235   8.9409 1.445175 12.78554 
1 1 1   21   13   18 o  121.302   8.8328  957.699  135.674  1000.98  201.142  921.566  183.777  123.724   12.802  118.880   12.173 4.844452 17.66556 
1 1 1   21   13   19 o  240.856   5.5723  3731.81  170.394  3621.22  238.194  3847.73  243.853  237.191   7.9078  244.520   7.8530 -7.328537 11.14462 
1 1 1   21   13   20 o   76.796   12.221  424.241  119.684  303.966  176.740  526.106  162.653   65.080   19.698   88.513   14.470 -23.43385 24.44153 
1 1 1   21   13   21 o   59.940   18.184  260.241  150.489   0.0000   0.0000  260.241  150.489  ?   ?    59.940   18.184      ?      ? 
1 1 1   21   15    0 o  157.151   4.7570  1501.29   88.370  1388.48  105.299  1769.98  162.509  147.704   5.6137  166.598   7.6812 -18.89412 9.513927 
1 1 1   21   15    1 o  321.182   4.2036  6498.81  152.734  6418.02  178.593  6718.78  294.692  317.694   4.4267  324.671   7.1474 -6.977112 8.407182 
1 1 1   21   15    2 o   80.558   7.9791  389.330   75.178  352.104   88.526  485.613  142.373   74.216   9.3928   86.900   12.901 -12.68373 15.95826 
1 1 1   21   15    3 o  353.196   4.2802  7823.11  168.703  7694.38  195.547  8197.81  333.619  347.838   4.4269  358.554   7.3269 -10.71634 8.560392 
1 1 1   21   15    4 o  159.705   4.7796  1704.11   86.466  1814.53  103.363  1446.75  157.804  168.886   4.8194  150.525   8.2553 18.36082 9.559123 
1 1 1   21   15    5 o  303.723   4.0914  5819.17  138.924  5759.05  161.424  5990.87  272.796  300.931   4.2240  306.515   7.0082 -5.583862 8.182757 
1 1 1   21   15    6 o  177.285   4.7130  2078.88   89.298  2148.17  102.698  1864.11  180.806  183.771   4.4005  170.799   8.3358 12.97137 9.426090 
1 1 1   21   15    7 o   59.012   10.380  221.323   68.732  210.463   78.585  256.665  141.768   56.233   11.395   61.792   17.352 -5.558975 20.75935 
1 1 1   21   15    8 o  120.648   6.7182  968.577   98.283  1089.31  126.973  788.109  155.235  130.583   7.6568  110.712   11.041 19.87147 13.43633 
1 1 1   21   15    9 o  365.921   4.4340  8218.38  169.182  7989.74  189.702  9107.06  373.994  354.381   4.2153  377.461   7.8022 -23.07993 8.868048 
1 1 1   21   15   10 o  428.412   5.1480 11461.73  254.941 11106.00  301.093 12362.67  479.174  417.443   5.6797  439.380   8.5877 -21.93701 10.29596 
1 1 1   21   15   11 f  450.404   9.0889 13013.22  519.864   0.0000   0.0000 13013.22  519.864  ?   ?   450.404   9.0889      ?      ? 
1 1 1   21   15   12 o  168.738   5.2224  1856.17   79.340  1871.43   86.139  1770.81  203.757  171.500   3.9551  165.976   9.6669 5.524124 10.44475 
1 1 1   21   15   13 o  159.285   4.5993  1447.52   66.302  1381.41   71.188  1880.11  182.104  147.347   3.8044  171.223   8.3749 -23.87633 9.198505 
1 1 1   21   15   14 o  238.760   5.6231  3655.09  170.474  3724.09  243.331  3588.58  238.903  240.973   7.9516  236.548   7.9529 4.425262 11.24615 
1 1 1   21   15   15 o  251.150   5.6708  4056.29  180.478  3990.53  262.733  4115.04  248.344  249.114   8.3050  253.185   7.7239 -4.071274 11.34158 
1 1 1   21   15   16 o   51.132   13.669  136.441  123.996   73.346  176.678  197.685  174.066   46.394   18.946   55.869   19.708 -9.474854 27.33728 
1 1 1   21   15   17 o  195.309   8.2325  2464.98  204.187   0.0000   0.0000  2464.98  204.187  ?   ?   195.309   8.2325      ?      ? 
1 1 1   21   17    0 o  202.994   5.1237  2608.40  121.261  2573.17  144.691  2691.53  222.266  200.944   5.6701  205.045   8.5358 -4.101273 10.24744 
1 1 1   21   17    1 o   46.458   11.823  124.117   88.090  156.853  104.449   43.465  163.945   49.071   15.198   43.845   18.115 5.225586 23.64614 
1 1 1   21   17    2 o  105.911   7.6459  680.330   93.552  627.488  109.476  823.379  180.123   98.976   8.7098  112.847   12.569 -13.87099 15.29187 
1 1 1   21   17    3 o  117.453   7.3368  821.075   99.886  736.714  116.714  1051.99  193.098  107.252   8.5692  127.654   11.911 -20.40201 14.67356 
1 1 1   21   17    4 o  398.184   5.1836  9953.76  248.694  9584.96  304.091 10698.61  432.162  387.622   6.1776  408.746   8.3256 -21.12366 10.36717 
1 1 1   21   17    5 o  193.939   5.4545  2441.55  125.930  2511.93  154.631  2302.95  217.003  198.419   6.1367  189.459   9.0193 8.960251 10.90904 
1 1 1   21   17    6 o  190.484   4.9226  2291.08  105.669  2259.49  123.266  2378.66  205.221  188.310   5.1546  192.659   8.3879 -4.348999 9.845140 
1 1 1   21   17    7 o  309.164   4.2776  6057.56  148.876  6009.42  173.789  6190.30  288.572  307.224   4.4544  311.104   7.3042 -3.880249 8.555264 
1 1 1   21   17    8 o  212.958   4.5313  2888.38  108.400  2878.88  126.538  2914.58  210.128  212.594   4.6870  213.323   7.7565 -0.7289886 9.062654 
1 1 1   21   17    9 o  108.018   7.6041  795.080   92.287  851.678  110.141  661.705  169.077  115.309   7.5215  100.726   13.218 14.58271 15.20814 
1 1 1   21   17   10 o  110.986   7.0496  799.236   78.045  801.679   86.901  789.052  177.449  112.007   6.1095  109.966   12.707 2.040482 14.09926 
1 1 1   21   17   11 o   87.820   8.4173  478.017   75.558  461.639   84.099  546.586  172.079   84.773   7.8119   90.867   14.912 -6.094032 16.83463 
1 1 1   21   17   12 o  213.617   4.4479  2872.66   93.192  2844.51  102.866  3001.56  220.115  211.319   3.8331  215.916   8.0276 -4.596939 8.895820 
1 1 1   21   17   13 o   68.636   10.136  369.741   56.337  385.461   59.825  246.598  167.445   77.554   6.0744   59.719   19.340 17.83468 20.27114 
1 1 1   21   19    0 f  247.984   4.7350  4056.24  135.486  4243.89  163.059  3637.76  243.501  257.967   4.9774  238.001   8.0564 19.96582 9.469979 
1 1 1   21   19    1 f  227.307   4.7986  3236.40  126.413  3137.39  149.607  3483.54  236.369  221.722   5.3133  232.891   7.9921 -11.16927 9.597099 
1 1 1   21   19    2 o  117.372   7.7747  916.191  102.862  944.316  121.545  845.212  193.088  121.250   7.8936  113.495   13.397 7.755363 15.54943 
1 1 1   21   19    3 o   45.426   12.349   20.932   97.566 -60.2343  114.018  242.904  188.553   30.170   13.697   60.683   20.551 -30.51317 24.69721 
1 1 1   21   19    4 o  218.786   4.8422  2966.98  122.330  2834.02  143.967  3312.31  232.017  210.651   5.3817  226.920   8.0513 -16.26903 9.684371 
1 1 1   21   19    5 o  107.187   7.9847  743.721   96.694  736.766  113.226  762.460  185.844  106.920   8.3389  107.453   13.619 -0.5333099 15.96933 
1 1 1   21   19    6 o  202.523   5.0854  2585.61  114.065  2534.51  131.648  2739.51  228.462  199.161   5.2051  205.885   8.7380 -6.724625 10.17082 
1 1 1   21   19    7 o   50.693   11.385  183.913   85.522  232.010   99.142   44.043  169.067   57.986   13.684   43.400   18.200 14.58529 22.77038 
1 1 1   21   19    8 o  173.865   5.4122  1990.57  112.023  2072.95  138.141  1832.34  191.445  179.757   6.0514  167.974   8.9748 11.78242 10.82436 
1 1 1   21   19    9 o  162.599   6.3955  1700.46  132.059  1700.46  132.059   0.0000   0.0000  162.599   6.3955  ?   ?       ?      ? 
1 1 1   21   19   10 o   88.942   8.9488  516.710  101.076  516.710  101.076   0.0000   0.0000   88.942   8.9488  ?   ?       ?      ? 
1 1 1   21   21    0 o   96.694   13.268  749.852  133.750  811.506  153.968  560.249  270.005  110.412   10.981   82.977   24.158 27.43443 26.53653 
1 1 1   21   21    1 o   65.507   11.358  356.644  137.434  592.642  158.752 -349.3403  274.576   93.220   13.410   37.795   18.334 55.42535 22.71516 
1 1 1   21   21    2 o  178.606   7.7423  2038.43  160.657  1912.36  189.587  2359.55  302.584  170.797   8.7408  186.414   12.782 -15.61749 15.48463 
1 1 1   21   21    3 o  202.545   7.2077  2664.37  185.394  2664.37  185.394   0.0000   0.0000  202.545   7.2077  ?   ?       ?      ? 
1 1 1   21   21    4 o  171.464   8.0356  1922.33  174.971  1922.33  174.971   0.0000   0.0000  171.464   8.0356  ?   ?       ?      ? 
1 1 1   21   21    6 o  105.542   10.386  747.468  139.198  747.468  139.198   0.0000   0.0000  105.542   10.386  ?   ?       ?      ? 
1 1 1   21   21    7 o   31.194   14.261 -52.3454  126.366 -52.3454  126.366   0.0000   0.0000   31.194   14.261  ?   ?       ?      ? 
1 1 1   22    0    0 o  804.441   6.4446 41124.43  930.803 41124.43  930.803 41124.43  930.803  804.441   9.1141  804.441   9.1141 -0.000000 0.000000 
1 1 1   22    0    1 o  679.354   5.5275 29326.24  674.205 29326.24  674.205 29326.24  674.205  679.354   7.8171  679.354   7.8171 -0.000000 0.000000 
1 1 1   22    0    2 o  668.564   5.4572 28401.68  655.055 28401.68  655.055 28401.68  655.055  668.564   7.7177  668.564   7.7177 -0.000000 0.000000 
1 1 1   22    0    4 o  239.497   2.8931  3645.55  124.357  3645.55  124.357  3645.55  124.357  239.497   4.0915  239.497   4.0915 -0.000000 0.000000 
1 1 1   22    0    6 o  392.009   3.6118  9763.63  254.185  9763.63  254.185  9763.63  254.185  392.009   5.1079  392.009   5.1079 -0.000000 0.000000 
1 1 1   22    0    7 o  195.228   3.2389  2424.31  113.420  2424.31  113.420  2424.31  113.420  195.228   4.5805  195.228   4.5805 -0.000000 0.000000 
1 1 1   22    0    8 o  643.813   5.3095 26336.24  613.719 26336.24  613.719 26336.24  613.719  643.813   7.5087  643.813   7.5087 -0.000000 0.000000 
1 1 1   22    0    9 o  611.562   7.2121 23779.70  791.635 23779.70  791.635 23779.70  791.635  611.562   10.200  611.562   10.200 -0.000000 0.000000 
1 1 1   22    0   10 o   65.571   7.1186  291.747   77.955  291.747   77.955  291.747   77.955   65.571   10.067   65.571   10.067 -0.000000 0.000000 
1 1 1   22    0   11 o  1811.20   14.067 208812.30  4574.38 208812.30  4574.38 208812.30  4574.38  1811.20   19.893  1811.20   19.893 -0.000000 0.000000 
1 1 1   22    0   12 f  948.518   7.5155 57190.26  1279.89 57190.26  1279.89 57190.26  1279.89  948.518   10.629  948.518   10.629 -0.000000 0.000000 
1 1 1   22    0   13 o  193.383   3.0679  2378.59  106.429  2378.59  106.429  2378.59  106.429  193.383   4.3387  193.383   4.3387 -0.000000 0.000000 
1 1 1   22    0   14 o  262.645   3.0579  4384.99  144.152  4384.99  144.152  4384.99  144.152  262.645   4.3245  262.645   4.3245 -0.000000 0.000000 
1 1 1   22    0   15 o  449.191   3.9807 12826.73  321.021 12826.73  321.021 12826.73  321.021  449.191   5.6296  449.191   5.6296 -0.000000 0.000000 
1 1 1   22    0   16 f  445.666   3.9753 12627.49  318.066 12627.49  318.066 12627.49  318.066  445.666   5.6219  445.666   5.6219 -0.000000 0.000000 
1 1 1   22    0   17 o   32.332   11.184   98.271   76.868   98.271   76.868   98.271   76.868   32.332   15.817   32.332   15.817 -0.000000 0.000000 
1 1 1   22    0   18 o  340.458   3.4473  7370.12  210.687  7370.12  210.687  7370.12  210.687  340.458   4.8753  340.458   4.8753 -0.000000 0.000000 
1 1 1   22    0   19 o  629.165   5.2238 25195.95  590.075 25195.95  590.075 25195.95  590.075  629.165   7.3875  629.165   7.3875 -0.000000 0.000000 
1 1 1   22    0   20 o  284.373   3.3067  5143.81  168.774  5143.81  168.774  5143.81  168.774  284.373   4.6763  284.373   4.6763 -0.000000 0.000000 
1 1 1   22    0   21 o  380.688   3.6936  9220.00  252.420  9220.00  252.420  9220.00  252.420  380.688   5.2235  380.688   5.2235 -0.000000 0.000000 
1 1 1   22    0   23 o   18.537   9.2069 -126.9600  117.845 -126.9600  117.845 -126.9600  117.845   18.537   13.021   18.537   13.021 -0.000000 0.000000 
1 1 1   22    0   24 o  391.831   3.8509  9775.96  270.874  9775.96  270.874  9775.96  270.874  391.831   5.4460  391.831   5.4460 -0.000000 0.000000 
1 1 1   22    0   25 o  278.033   3.4964  4924.34  174.461  4924.34  174.461  4924.34  174.461  278.033   4.9446  278.033   4.9446 -0.000000 0.000000 
1 1 1   22    0   26 o   98.573   6.4318  638.614  111.633  638.614  111.633  638.614  111.633   98.573   9.0959   98.573   9.0959 -0.000000 0.000000 
1 1 1   22    0   27 o  188.782   4.1106  2282.08  139.068  2282.08  139.068  2282.08  139.068  188.782   5.8133  188.782   5.8133 -0.000000 0.000000 
1 1 1   22    0   29 o  176.867   4.2321  2014.00  134.081  2014.00  134.081  2014.00  134.081  176.867   5.9851  176.867   5.9851 -0.000000 0.000000 
1 1 1   22    0   30 o   24.826   11.207   25.653  111.139   25.653  111.139   25.653  111.139   24.826   15.849   24.826   15.849 -0.000000 0.000000 
1 1 1   22    2    0 o  621.576   5.1289 24515.88  404.511 25256.16  586.904 23846.01  558.297  630.500   7.3300  612.653   7.1759 17.84717 10.25777 
1 1 1   22    2    1 o  336.346   3.2971  7184.19  140.823  7246.56  200.515  7123.48  197.820  337.786   4.6744  334.906   4.6513 2.880493 6.594270 
1 1 1   22    2    2 o  516.155   5.3396 17159.73  336.160 17818.73  424.882 16056.82  549.663  529.633   6.3171  502.677   8.6105 26.95563 10.67926 
1 1 1   22    2    3 o  516.401   4.3984 16939.04  288.440 16922.52  406.608 16955.78  409.238  516.149   6.2033  516.654   6.2373 -0.5057983 8.796884 
1 1 1   22    2    4 o  985.964   7.7883 61774.52  974.869 60895.52  1358.57 62707.54  1399.69  978.745   10.930  993.183   11.098 -14.43762 15.57653 
1 1 1   22    2    5 o  529.014   4.4812 17742.17  300.650 17149.06  412.441 18414.69  439.184  519.600   6.2505  538.427   6.4230 -18.82715 8.962390 
1 1 1   22    2    6 o  866.348   6.9082 47680.70  759.839 47026.31  1059.86 48372.73  1089.92  860.239   9.7018  872.457   9.8372 -12.21796 13.81649 
1 1 1   22    2    7 o  1146.77   9.0076 83625.92  1311.76 83951.64  1861.89 83304.91  1848.39  1148.98   12.760  1144.56   12.717 4.428467 18.01513 
1 1 1   22    2    8 o  990.558   7.8443 62212.46  984.858 59947.98  1343.28 64844.63  1448.23  971.136   10.892  1009.98   11.291 -38.84296 15.68861 
1 1 1   22    2    9 f  1001.87   7.9211 63793.51  1007.60 63026.46  1407.96 64598.73  1442.58  995.706   11.135  1008.03   11.269 -12.32855 15.84220 
1 1 1   22    2   10 o  863.147   9.7410 47351.14  1067.75 47351.14  1067.75   0.0000   0.0000  863.147   9.7410  ?   ?       ?      ? 
1 1 1   22    2   11 o  1448.29   16.029 133701.50  2943.90 138357.30  4305.04 129612.00  4034.71  1471.80   23.033  1424.79   22.299 47.01160 32.05877 
1 1 1   22    2   12 o  891.263   7.0983 50341.47  801.365 48273.21  1087.35 52800.48  1185.62  871.319   9.8268  911.206   10.246 -39.88727 14.19668 
1 1 1   22    2   13 o  815.749   6.5446 42334.77  677.963 42541.96  963.258 42131.39  954.372  817.723   9.2760  813.775   9.2350 3.948425 13.08924 
1 1 1   22    2   14 o  101.868   5.2324  649.256   63.949  693.157  111.991  628.016   77.898  104.351   8.4510   99.385   6.1720 4.966103 10.46485 
1 1 1   22    2   15 o  173.531   3.1737  1910.19   69.869  1805.72   96.549  2025.06  101.239  168.559   4.5104  178.504   4.4660 -9.945450 6.347383 
1 1 1   22    2   16 o   46.931   8.5611  146.348   52.239  182.922   73.520  109.054   74.239   52.501   11.357   41.361   12.813 11.14009 17.12214 
1 1 1   22    2   17 o  279.334   3.1946  4955.31  113.263  5131.77  163.313  4791.78  157.218  284.120   4.5263  274.548   4.5093 9.571930 6.389109 
1 1 1   22    2   18 o  300.905   3.2484  5757.21  124.129  5762.09  175.831  5752.35  175.262  301.031   4.5994  300.778   4.5884 0.2533264 6.496804 
1 1 1   22    2   19 o  204.125   3.2266  2649.07   83.618  2683.06  119.933  2616.92  116.643  205.396   4.5980  202.854   4.5279 2.542389 6.453169 
1 1 1   22    2   20 o  375.806   3.6478  8986.37  174.064  8780.75  244.044  9199.31  248.341  371.429   5.1739  380.184   5.1437 -8.754852 7.295659 
1 1 1   22    2   21 o  203.542   3.3943  2616.21   87.382  2944.50  130.086  2346.30  117.956  215.090   4.7625  191.995   4.8379 23.09496 6.788690 
1 1 1   22    2   22 o  266.463   3.6606  4523.59  123.839  4449.01  176.097  4596.55  174.190  264.279   5.2470  268.648   5.1058 -4.369141 7.321196 
1 1 1   22    2   23 f  170.172   4.1908  1844.56   90.447  1983.12  130.462  1716.33  125.505  176.330   5.8261  164.015   6.0256 12.31458 8.381616 
1 1 1   22    2   24 o   60.627   9.2337  247.814   71.839  362.606  102.784  138.179  100.449   74.896   10.807   46.358   14.976 28.53870 18.46748 
1 1 1   22    2   25 o  100.861   6.0312  657.500   76.844  731.330  108.386  582.878  108.965  106.660   8.0019   95.062   9.0261 11.59760 12.06243 
1 1 1   22    2   26 o  245.056   3.5599  3837.41  110.778  3780.96  155.709  3895.26  157.636  243.230   5.0410  246.883   5.0279 -3.653442 7.119802 
1 1 1   22    2   27 o   42.651   10.355  103.926   73.954   20.011  105.193  185.936  103.992   33.851   14.284   51.450   14.996 -17.59850 20.71043 
1 1 1   22    2   28 o  200.778   6.3827  2607.78  162.742  2607.78  162.742   0.0000   0.0000  200.778   6.3827  ?   ?       ?      ? 
1 1 1   22    2   29 o  130.060   6.4173  1143.93   98.630  1175.24  120.605  1080.71  171.379  134.003   7.0871  126.117   10.701 7.886665 12.83469 
1 1 1   22    2   30 o  187.946   6.1567  2375.09  146.758  2428.91  213.863  2327.20  201.761  189.748   8.8752  186.144   8.5351 3.603439 12.31333 
1 1 1   22    4    0 o  634.232   5.2345 25555.25  421.600 25544.13  595.264 25566.44  597.206  634.095   7.3923  634.370   7.4132 -0.2758789 10.46903 
1 1 1   22    4    1 o  302.810   3.9049  5779.77  140.697  5699.52  170.714  5949.73  248.430  299.573   4.4873  306.047   6.3920 -6.474365 7.809865 
1 1 1   22    4    2 o  265.526   3.1237  4480.07  105.271  4599.35  147.850  4357.43  149.921  269.114   4.3262  261.939   4.5070 7.175354 6.247327 
1 1 1   22    4    3 o  463.996   4.0781 13668.25  240.197 13476.29  333.996 13873.89  345.686  460.625   5.7097  467.367   5.8243 -6.742828 8.156224 
1 1 1   22    4    4 o  604.616   5.0340 23221.83  386.506 23213.22  544.314 23230.58  548.919  604.504   7.0904  604.728   7.1478 -0.2238159 10.06801 
1 1 1   22    4    5 o  756.773   7.4519 36861.63  688.832 34656.10  1124.06 38187.96  871.683  738.305   11.989  775.240   8.8541 -36.93573 14.90390 
1 1 1   22    4    6 o  715.162   5.8192 32487.04  528.385 32107.98  738.162 32885.35  756.681  710.888   8.1766  719.436   8.2821 -8.548523 11.63833 
1 1 1   22    4    7 o  742.416   6.0230 34910.11  566.497 33505.31  769.631 36571.14  836.881  726.178   8.3457  758.654   8.6864 -32.47620 12.04594 
1 1 1   22    4    8 o  269.205   3.2929  4601.94  112.561  4562.02  157.693  4643.40  160.720  268.016   4.6331  270.395   4.6805 -2.379303 6.585833 
1 1 1   22    4    9 o  838.552   6.7092 44688.70  714.454 44808.20  1012.19 44570.05  1008.60  839.668   9.4924  837.435   9.4840 2.233704 13.41833 
1 1 1   22    4   10 o  599.535   4.9938 22802.57  379.846 23569.28  552.196 22113.92  523.332  609.084   7.1390  589.986   6.9849 19.09741 9.987689 
1 1 1   22    4   11 o  251.585   3.0860  3999.46   98.340  4346.84  145.325  3706.02  133.566  261.611   4.3743  241.559   4.3541 20.05191 6.171905 
1 1 1   22    4   12 o  273.429   3.1492  4749.29  109.346  4766.17  154.174  4732.21  155.107  273.918   4.4321  272.940   4.4749 0.9787598 6.298329 
1 1 1   22    4   13 o  539.461   5.5727 18634.29  363.589 18121.90  612.220 18913.47  451.916  533.524   9.0360  545.397   6.5248 -11.87225 11.14550 
1 1 1   22    4   14 o  641.487   5.2974 26185.99  431.455 26527.26  617.900 25861.28  602.722  645.555   7.5371  637.419   7.4458 8.135864 10.59478 
1 1 1   22    4   15 o  379.526   3.6083  9133.56  173.594  9547.30  255.031  8776.37  236.960  387.505   5.1825  371.546   5.0221 15.95950 7.216620 
1 1 1   22    4   16 o  183.147   3.1540  2132.06   73.346  2140.03  104.676  2124.38  102.804  183.482   4.4924  182.813   4.4282 0.6689911 6.307961 
1 1 1   22    4   17 o  442.617   3.9765 12463.45  223.491 12528.40  318.816 12400.70  313.382  443.746   5.6575  441.489   5.5896 2.256714 7.953040 
1 1 1   22    4   18 o  386.247   3.6694  9487.37  179.919  9622.19  258.621  9360.93  250.461  388.898   5.2366  383.596   5.1415 5.302368 7.338732 
1 1 1   22    4   19 o  423.588   3.8894 11410.00  209.089 11737.44  302.347 11109.87  289.466  429.398   5.5446  417.778   5.4560 11.62027 7.778828 
1 1 1   22    4   20 f  423.507   3.9130 11411.70  210.293 11690.45  304.541 11157.65  290.738  428.431   5.5974  418.583   5.4694 9.847931 7.825965 
1 1 1   22    4   21 o  244.061   4.1706  3690.15  120.134  3520.23  143.722  4084.19  218.860  235.155   4.8127  252.967   6.8128 -17.81206 8.341249 
1 1 1   22    4   23 o  147.008   4.1744  1379.34   77.911  1349.97  110.558  1408.32  109.812  145.443   5.9858  148.574   5.8201 -3.130463 8.348857 
1 1 1   22    4   24 o  188.948   3.6903  2277.29   88.540  2289.11  126.269  2265.86  124.187  189.425   5.2490  188.471   5.1886 0.9541016 7.380666 
1 1 1   22    4   25 o  226.557   3.5095  3273.23  100.897  3454.85  145.087  3103.13  140.410  232.649   4.9108  220.464   5.0151 12.18509 7.019033 
1 1 1   22    4   26 o  160.111   4.0882  1641.30   83.046  1590.93  114.464  1697.29  120.672  157.537   5.7215  162.685   5.8409 -5.148239 8.176300 
1 1 1   22    4   27 o  206.691   3.9186  2732.99  102.618  2964.46  151.182  2535.22  139.741  214.768   5.5431  198.613   5.5404 16.15536 7.837187 
1 1 1   22    4   28 o   78.231   12.631  470.445  122.143  430.136  186.093  500.952  161.896   73.927   19.530   82.535   16.024 -8.607368 25.26235 
1 1 1   22    4   29 o   81.354   12.560  508.732  125.907  660.596  193.988  398.192  165.504   92.442   17.156   70.267   18.349 22.17497 25.11981 
1 1 1   22    6    0 o  470.716   5.9583 14073.44  356.171 14073.44  356.171   0.0000   0.0000  470.716   5.9583  ?   ?       ?      ? 
1 1 1   22    6    1 f  523.444   4.6317 17384.85  307.702 18188.69  443.239 16637.09  427.501  535.111   6.5225  511.777   6.5778 23.33426 9.263396 
1 1 1   22    6    2 o  760.574   7.5350 36921.18  689.875 37252.18  851.645 36289.46  1176.54  765.682   8.7586  755.467   12.263 10.21521 15.06999 
1 1 1   22    6    3 o  631.117   7.4113 25303.61  593.995 25303.61  593.995   0.0000   0.0000  631.117   7.4113  ?   ?       ?      ? 
1 1 1   22    6    4 o  423.996   4.0403 11396.13  217.071 11104.45  295.829 11736.38  319.506  418.132   5.5712  429.859   5.8530 -11.72672 8.080562 
1 1 1   22    6    5 o  838.940   6.7536 44709.06  719.323 45561.67  1032.08 43903.66  1003.09  846.711   9.5984  831.170   9.5033 15.54169 13.50712 
1 1 1   22    6    6 o  540.212   4.6491 18535.01  318.856 18425.47  445.302 18650.27  456.777  538.577   6.5107  541.848   6.6382 -3.271118 9.298120 
1 1 1   22    6    7 o  351.487   3.5973  7836.25  160.382  8394.68  231.046  7316.93  222.806  363.558   5.0043  339.416   5.1691 24.14200 7.194682 
1 1 1   22    6    8 o  258.537   3.3003  4251.87  108.134  4372.61  149.557  4119.60  156.532  262.391   4.4883  254.682   4.8398 7.708847 6.600622 
1 1 1   22    6    9 o  398.114   3.7459 10068.15  189.346 10108.57  265.425 10026.27  270.189  398.929   5.2392  397.299   5.3552 1.630310 7.491823 
1 1 1   22    6   10 o  543.354   4.6327 18756.14  319.605 18564.77  446.911 18956.47  457.247  540.520   6.5108  546.187   6.5922 -5.667419 9.265387 
1 1 1   22    6   11 o  701.058   5.7258 31250.64  509.628 30847.05  711.005 31677.09  730.851  696.413   8.0395  705.704   8.1551 -9.290344 11.45158 
1 1 1   22    6   12 o   97.976   4.6420  607.354   57.426  583.081   76.591  638.519   86.788   95.757   6.2983  100.194   6.8209 -4.436165 9.284071 
1 1 1   22    6   13 o  370.659   3.5827  8734.20  168.633  8780.22  237.780  8687.63  239.194  371.644   5.0381  369.675   5.0951 1.969513 7.165395 
1 1 1   22    6   14 o  133.500   3.5838  1132.68   60.522  1128.11   81.977  1138.15   89.728  133.212   4.8459  133.789   5.2812 -0.5768433 7.167536 
1 1 1   22    6   15 o  210.154   3.5293  2835.99   92.188  2663.64  143.672  2956.62  120.193  204.639   5.5285  215.669   4.3885 -11.02957 7.058531 
1 1 1   22    6   16 o  287.931   3.2329  5270.34  118.202  5341.09  168.419  5201.67  165.934  289.835   4.5758  286.027   4.5682 3.807251 6.465797 
1 1 1   22    6   17 o  101.473   4.3395  657.147   55.632  672.503   75.465  638.869   82.333  102.790   5.7812  100.156   6.4732 2.633949 8.678955 
1 1 1   22    6   18 o  630.641   5.2597 25364.90  421.183 25591.70  601.111 25146.16  590.320  633.396   7.4731  627.885   7.4034 5.510986 10.51938 
1 1 1   22    6   19 o  153.454   3.5709  1492.20   69.277  1305.34   94.859  1705.77  101.413  143.192   5.2165  163.715   4.8779 -20.52283 7.141821 
1 1 1   22    6   20 o  145.086   3.7492  1340.49   69.072  1324.73   96.833  1356.81   98.555  144.220   5.2871  145.953   5.3172 -1.733276 7.498453 
1 1 1   22    6   22 o  270.654   3.3549  4662.20  115.243  4763.21  166.488  4569.29  159.680  273.457   4.7942  267.850   4.6944 5.606934 6.709823 
1 1 1   22    6   23 o   99.532   5.2415  641.630   65.489  725.816   90.598  549.504   94.775  106.526   6.6971   92.538   8.0648 13.98833 10.48298 
1 1 1   22    6   24 o  241.943   3.3487  3735.48  102.820  3784.84  143.373  3683.22  147.535  243.612   4.6344  240.273   4.8352 3.339081 6.697471 
1 1 1   22    6   25 o   69.810   6.9360  316.870   60.137  314.517   77.294  320.478   95.723   69.665   8.7368   69.955   10.775 -0.2899780 13.87201 
1 1 1   22    6   26 o  189.873   6.1084  2350.39  147.169  2374.41  212.883  2328.41  203.679  190.713   8.7899  189.033   8.4846 1.680099 12.21679 
1 1 1   22    6   27 o   34.028   11.335 -141.3337  126.682 -136.6898  177.648 -146.1387  180.702   34.031   16.010   34.025   16.050 0.6145477E-02 22.67006 
1 1 1   22    6   28 o   32.297   10.584 -106.5533  107.963 -232.4588  157.999   3.7258  147.869   28.003   13.657   36.591   16.174 -8.587729 21.16860 
1 1 1   22    6   29 o  158.509   6.8391  1706.83  137.155  1801.90  204.766  1629.48  184.713  162.183   9.9421  154.836   9.3939 7.346695 13.67811 
1 1 1   22    8    0 o  552.346   4.9729 19386.09  348.200 19468.77  478.913 19293.37  507.158  553.604   6.8121  551.088   7.2468 2.515503 9.945851 
1 1 1   22    8    1 o  554.340   4.9106 19476.05  344.443 19020.97  465.362 20027.41  512.237  547.204   6.6967  561.476   7.1839 -14.27222 9.821157 
1 1 1   22    8    2 o  525.833   5.6900 17652.66  366.791 17238.38  599.678 17900.29  463.628  520.836   9.0665  530.831   6.8776 -9.995239 11.37992 
1 1 1   22    8    3 o  220.961   4.2434  3113.49  113.306  3141.61  140.467  3061.12  191.703  222.407   4.9733  219.514   6.8768 2.892441 8.486749 
1 1 1   22    8    4 o  996.673   7.9241 63146.86  1002.75 62653.99  1401.89 63663.20  1434.89  992.701   11.120  1000.64   11.292 -7.942993 15.84818 
1 1 1   22    8    5 o  370.463   3.8134  8660.34  177.849  8311.45  234.507  9132.67  272.858  361.744   5.1048  379.181   5.6665 -17.43738 7.626775 
1 1 1   22    8    6 o  496.237   4.4366 15644.07  279.482 16219.29  396.942 15078.57  393.573  505.287   6.1860  487.188   6.3614 18.09937 8.873220 
1 1 1   22    8    7 o  381.495   3.7885  9216.60  182.699  8962.94  245.411  9531.97  273.639  375.631   5.1446  387.358   5.5627 -11.72696 7.577023 
1 1 1   22    8    8 o  492.534   6.0684 15415.53  379.567 15415.53  379.567   0.0000   0.0000  492.534   6.0684  ?   ?       ?      ? 
1 1 1   22    8    9 o  438.305   4.0480 12192.80  224.764 11976.04  306.127 12446.31  331.065  434.097   5.5531  442.513   5.8913 -8.415985 8.095943 
1 1 1   22    8   10 o  271.876   3.3980  4727.15  116.249  4955.75  156.569  4446.30  173.542  279.266   4.4148  264.486   5.1668 14.78000 6.796051 
1 1 1   22    8   11 o   98.089   5.2411  582.620   61.297  531.849   73.479  698.807  111.156   91.437   6.3279  104.740   8.3568 -13.30276 10.48230 
1 1 1   22    8   12 o  449.726   4.0804 12773.61  231.742 12064.89  308.734 13688.28  350.733  435.561   5.5816  463.890   5.9537 -28.32916 8.160892 
1 1 1   22    8   13 o  211.803   3.3100  2857.83   87.740  2887.68  115.052  2816.34  135.641  213.150   4.2504  210.456   5.0752 2.693634 6.619953 
1 1 1   22    8   14 o  640.814   5.3465 26166.07  435.064 26151.28  611.660 26181.22  618.953  640.644   7.5182  640.985   7.6038 -0.3411255 10.69308 
1 1 1   22    8   15 f  180.178   3.4454  2079.92   77.176  2144.31  100.316  1986.56  120.803  183.652   4.3013  176.704   5.3834 6.947906 6.890718 
1 1 1   22    8   16 o  308.798   3.4116  6048.46  133.311  5874.36  180.003  6259.97  198.398  303.909   4.6640  313.688   4.9804 -9.779266 6.823262 
1 1 1   22    8   17 o  263.767   3.2966  4416.58  109.575  4351.53  145.678  4501.33  166.281  261.564   4.3857  265.970   4.9230 -4.405426 6.593223 
1 1 1   22    8   18 o  221.063   3.2929  3107.26   91.627  3090.60  121.612  3129.12  139.354  220.410   4.3448  221.717   4.9493 -1.306198 6.585783 
1 1 1   22    8   19 f  144.350   3.5815  1341.65   64.832  1451.40   87.480  1207.92   96.565  151.011   4.5617  137.688   5.5226 13.32289 7.162947 
1 1 1   22    8   21 o  224.741   4.4059  3215.90  125.746  3215.90  125.746   0.0000   0.0000  224.741   4.4059  ?   ?       ?      ? 
1 1 1   22    8   22 o  151.131   3.6984  1455.56   67.576  1452.31   83.598  1461.68  114.788  150.994   4.3597  151.268   5.9755 -0.2739563 7.396850 
1 1 1   22    8   23 o   50.284   10.347  159.732   40.022  161.658   41.024  121.754  182.157   50.239   6.4301   50.329   19.671 -0.8934784E-01 20.69501 
1 1 1   22    8   24 o  241.691   5.8379  3755.44  177.851  3963.76  271.245  3598.34  235.552  247.324   8.6361  236.057   7.8576 11.26680 11.67582 
1 1 1   22    8   25 o  153.906   7.4979  1574.15  145.285  1491.89  216.436  1641.61  196.007  149.765   11.380  158.048   9.7657 -8.283325 14.99583 
1 1 1   22    8   26 o   28.552   10.066 -488.6397  148.410 -674.4168  220.201 -334.0168  200.891   26.428   13.369   30.677   15.053 -4.248137 20.13231 
1 1 1   22    8   27 o   96.622   10.209  668.393  124.063  671.175  188.329  666.259  164.899   96.005   15.447   97.239   13.354 -1.233498 20.41893 
1 1 1   22    8   28 o   73.090   13.763  470.657  133.113  370.394  206.531  541.901  174.096   63.688   21.509   82.491   17.177 -18.80279 27.52618 
1 1 1   22   10    0 o  276.955   3.8769  4803.87  118.106  4736.95  135.930  5010.04  238.580  273.103   3.9193  280.806   6.6904 -7.702881 7.753844 
1 1 1   22   10    1 o  208.597   4.0234  2732.77   92.169  2702.20  106.064  2827.06  186.263  206.267   4.0491  210.927   6.9537 -4.659790 8.046721 
1 1 1   22   10    2 o  426.701   4.5698 11783.98  217.006 12025.11  253.479 11122.24  419.911  435.103   4.5875  418.300   7.9048 16.80280 9.139533 
1 1 1   22   10    3 o  577.033   5.6287 21268.15  358.694 21371.07  415.599 20967.63  710.187  579.964   5.6428  574.102   9.7411 5.862183 11.25743 
1 1 1   22   10    4 o  611.379   5.8874 23897.62  398.210 24027.81  461.885 23520.64  785.941  614.893   5.9150  607.865   10.181 7.028137 11.77486 
1 1 1   22   10    5 o  471.102   4.8712 13836.33  245.922 13605.88  279.464 14627.20  517.713  462.749   4.7556  479.454   8.5028 -16.70535 9.742361 
1 1 1   22   10    6 o  535.868   5.3149 18339.06  313.763 18409.73  363.012 18130.32  623.883  538.186   5.3114  533.550   9.2077 4.635620 10.62980 
1 1 1   22   10    7 o  415.284   4.4804 10716.64  198.443 10511.68  224.926 11436.52  421.531  406.714   4.3548  423.853   7.8314 -17.13840 8.960732 
1 1 1   22   10    8 o  230.889   3.8630  3371.23   91.995  3358.19  103.301  3421.22  202.238  229.907   3.5381  231.870   6.8682 -1.962234 7.725933 
1 1 1   22   10    9 o  136.507   4.6838  1185.60   59.909  1185.52   65.470  1186.03  148.535  136.592   3.7743  136.421   8.5737 0.1711121 9.367701 
1 1 1   22   10   10 o  407.048   4.4125 10561.24  194.859 10578.62  223.657 10506.47  396.974  407.966   4.3170  406.131   7.6969 1.834869 8.824929 
1 1 1   22   10   11 o  398.458   4.3641  9935.24  185.275  9797.75  210.177 10414.53  392.409  392.612   4.2154  404.303   7.6428 -11.69037 8.728278 
1 1 1   22   10   12 o  209.008   3.6604  2711.50   77.572  2668.61   86.350  2890.87  176.585  204.935   3.3180  213.082   6.5257 -8.147888 7.320775 
1 1 1   22   10   13 o  207.772   3.8131  2752.03   78.646  2755.28   87.323  2738.08  180.975  208.230   3.3022  207.314   6.8741 0.9158020 7.626112 
1 1 1   22   10   14 o  509.591   5.1564 16694.15  288.803 16833.35  334.172 16283.34  574.060  514.360   5.1159  504.823   8.9545 9.536926 10.31289 
1 1 1   22   10   15 o  287.087   3.9184  5160.33  114.387  5103.21  127.603  5394.04  258.109  283.339   3.5463  290.836   6.9884 -7.496643 7.836703 
1 1 1   22   10   16 o  456.817   4.8639 13048.88  237.163 12831.34  269.102 13805.54  501.892  449.032   4.7191  464.601   8.5065 -15.56961 9.727853 
1 1 1   22   10   17 o  106.657   8.8036  736.355  118.968  696.765  170.744  773.711  165.856  103.789   12.954  109.524   11.925 -5.734146 17.60717 
1 1 1   22   10   18 o  430.296   6.0930 11776.09  331.341 12748.33  499.466 11011.93  442.806  445.948   8.8195  414.645   8.4093 31.30316 12.18606 
1 1 1   22   10   19 o  202.782   5.9040  2637.45  151.934  2721.79  213.529  2550.95  216.231  206.111   8.1579  199.453   8.5369 6.658264 11.80802 
1 1 1   22   10   20 o  232.098   5.3503  3446.37  157.561  3256.51  218.753  3651.06  227.134  225.444   7.6408  238.753   7.4913 -13.30855 10.70051 
1 1 1   22   10   21 o  146.895   7.8601  1413.93  144.500  1323.04  219.613  1483.31  191.889  142.371   12.147  151.419   9.9791 -9.048050 15.72017 
1 1 1   22   10   22 o   79.204   13.555  444.574  133.978  482.818  204.013  415.573  177.656   81.966   19.818   76.442   18.500 5.524536 27.11094 
1 1 1   22   10   23 o  196.152   6.5154  2473.94  161.160  2811.43  246.161  2220.77  213.205  207.638   9.3354  184.667   9.0914 22.97060 13.03088 
1 1 1   22   10   24 o  170.616   8.0642  1947.99  173.404  1927.46  260.587  1964.31  232.302  169.251   12.124  171.980   10.636 -2.729065 16.12836 
1 1 1   22   10   25 o   44.410   13.495   56.572  136.737   84.542  201.541   32.717  186.128   46.444   19.694   42.376   18.455 4.067245 26.98963 
1 1 1   22   10   26 o   37.063   16.659 -13.0000  163.792   0.0000   0.0000 -13.0000  163.792  ?   ?    37.063   16.659      ?      ? 
1 1 1   22   12    0 o  441.363   4.6768 12449.07  231.509 12512.97  270.511 12274.17  447.560  443.693   4.8009  439.033   8.0274 4.660278 9.353535 
1 1 1   22   12    1 o  168.111   4.1584  1725.46   80.908  1631.12   95.154  1971.69  153.725  160.196   4.6773  176.026   6.8769 -15.82954 8.316776 
1 1 1   22   12    2 o  353.759   4.1524  7850.87  162.849  7740.06  188.185  8181.30  324.960  348.992   4.2461  358.526   7.1373 -9.533752 8.304819 
1 1 1   22   12    3 o  514.999   5.1813 16825.74  293.161 16767.67  338.101 17001.68  588.475  513.548   5.1843  516.451   8.9727 -2.903320 10.36269 
1 1 1   22   12    4 o  476.825   4.8831 14680.46  260.659 14923.21  305.170 14025.58  501.233  484.495   4.9599  469.155   8.4129 15.33972 9.766144 
1 1 1   22   12    5 o   85.778   6.8930  517.421   60.372  557.692   69.173  388.687  123.677   93.635   5.8173   77.921   12.498 15.71384 13.78591 
1 1 1   22   12    6 o  179.856   4.4142  2068.73   97.210  2098.32  122.687  2018.82  159.342  181.645   5.3186  178.066   7.0465 3.579224 8.828355 
1 1 1   22   12    7 o  108.892   5.8469  704.894   77.428  590.053   94.307  942.402  135.624   96.232   7.7170  121.553   8.7860 -25.32181 11.69387 
1 1 1   22   12    8 o  305.620   3.8653  5880.03  127.635  5825.12  145.825  6059.90  263.899  302.749   3.7929  308.491   6.7362 -5.741760 7.730663 
1 1 1   22   12    9 o  167.958   4.0936  1792.49   70.808  1790.54   79.526  1799.96  155.542  167.848   3.7309  168.069   7.2876 -0.2207336 8.187106 
1 1 1   22   12   10 o  231.067   3.8375  3450.62   92.199  3491.27  104.254  3304.68  197.520  234.383   3.5026  227.751   6.8292 6.631500 7.675053 
1 1 1   22   12   11 o   57.461   9.3599  239.174   48.696  249.307   52.085  168.825  137.239   62.555   6.5566   52.366   17.534 10.18815 18.71987 
1 1 1   22   12   12 f  163.729   4.1825  1764.04   66.223  1796.47   73.313  1620.29  154.347  168.118   3.4339  159.341   7.6277 8.777405 8.365019 
1 1 1   22   12   13 o   81.899   7.3285  396.067   47.621  387.065   50.224  476.216  149.868   77.979   5.0718   85.818   13.751 -7.839600 14.65694 
1 1 1   22   12   14 o   66.595   8.0559  196.473   40.048  177.290   41.639  433.203  146.274   52.732   6.2180   80.458   14.864 -27.72602 16.11176 
1 1 1   22   12   15 o  262.886   5.3172  4414.78  177.465  4507.75  254.540  4326.85  247.552  265.572   7.5474  260.201   7.4917 5.370789 10.63432 
1 1 1   22   12   16 o  286.092   5.7110  5240.38  207.209  5245.05  301.016  5236.18  285.662  286.152   8.2835  286.033   7.8643 0.1187439 11.42206 
1 1 1   22   12   17 o  144.362   7.1656  1341.77  131.312  1289.04  184.162  1396.30  187.286  141.454   10.252  147.270   10.014 -5.816055 14.33122 
1 1 1   22   12   18 o  255.401   5.4483  4179.27  176.639  4129.31  245.779  4232.65  254.038  253.847   7.6242  256.954   7.7851 -3.106918 10.89662 
1 1 1   22   12   19 o  106.471   9.4556  733.661  126.376  813.487  197.520  678.336  164.439  111.138   13.995  101.805   12.719 9.332626 18.91127 
1 1 1   22   12   20 o   45.814   13.284   66.165  122.133  102.157  188.975   40.347  160.052   49.256   19.781   42.372   17.735 6.883774 26.56705 
1 1 1   22   12   21 o   50.046   13.720  127.495  127.419   57.568  182.395  194.150  178.078   45.201   18.926   54.891   19.867 -9.689850 27.43937 
1 1 1   22   12   22 o  243.500   5.8961  3849.23  181.427  4022.03  272.621  3711.87  243.068  248.143   8.6513  238.857   8.0133 9.285782 11.79225 
1 1 1   22   14    0 o  128.915   5.1173  993.173   78.221  889.340   93.058  1243.17  144.396  118.202   6.1994  139.627   8.1434 -21.42505 10.23466 
1 1 1   22   14    1 o  223.214   4.1082  3219.66  103.226  3278.87  121.292  3064.10  196.591  227.111   4.2055  219.318   7.0585 7.793457 8.216346 
1 1 1   22   14    2 o  425.982   4.6178 11746.93  222.616 11988.99  262.571 11128.12  419.822  434.199   4.7619  417.765   7.9133 16.43463 9.235553 
1 1 1   22   14    3 o  294.660   4.0061  5569.81  133.665  5625.00  157.254  5426.14  253.731  297.460   4.1629  291.859   6.8458 5.600861 8.012130 
1 1 1   22   14    4 o  147.777   5.0876  1459.12   83.468  1540.32   98.376  1250.42  157.708  155.614   4.9781  139.939   8.8744 15.67516 10.17523 
1 1 1   22   14    5 o  206.836   4.2300  2724.56   96.469  2725.48  111.564  2721.86  192.053  207.041   4.2432  206.630   7.3190 0.4105530 8.459995 
1 1 1   22   14    6 o  462.324   4.8539 13860.39  251.130 14138.67  294.258 13114.25  481.832  471.432   4.9151  453.217   8.3717 18.21518 9.707890 
1 1 1   22   14    7 o  160.455   4.7702  1630.72   88.623  1616.17  105.313  1666.02  164.048  159.360   5.2039  161.551   7.9962 -2.191055 9.540423 
1 1 1   22   14    8 o  145.839   4.9891  1394.06   76.002  1424.13   86.327  1290.43  160.266  149.623   4.5433  142.056   8.8839 7.567307 9.978255 
1 1 1   22   14    9 o  145.918   4.9866  1417.07   75.497  1463.87   85.815  1256.77  158.807  151.691   4.4548  140.146   8.9230 11.54517 9.973225 
1 1 1   22   14   10 o  152.786   4.6716  1467.81   71.517  1454.71   79.448  1523.76  164.202  151.226   4.1370  154.346   8.3774 -3.119781 9.343153 
1 1 1   22   14   11 o  184.398   4.5009  2202.43   82.311  2223.24   91.573  2114.85  187.818  186.965   3.8568  181.831   8.1337 5.133484 9.001817 
1 1 1   22   14   12 o  392.713   4.6707  9688.79  192.385  9571.71  216.993 10118.97  415.925  387.814   4.4060  397.613   8.2371 -9.798981 9.341494 
1 1 1   22   14   13 o  122.311   6.2066  895.354   67.893  870.789   72.995  1052.88  184.843  116.924   4.9160  127.698   11.398 -10.77425 12.41328 
1 1 1   22   14   14 o  231.884   4.2423  3428.81   92.620  3427.62  101.347  3434.84  228.161  232.149   3.4377  231.620   7.7569 0.5293579 8.484509 
1 1 1   22   14   15 o  267.747   5.4523  4593.83  185.347  4592.58  264.856  4595.03  259.469  267.685   7.7913  267.808   7.6293 -0.1226196 10.90456 
1 1 1   22   14   16 o   78.962   12.525  435.660  123.278  525.315  173.922  345.137  174.763   87.681   16.217   70.242   19.092 17.43993 25.04971 
1 1 1   22   14   17 o   60.604   13.232  244.614  114.744  336.708  169.217  166.224  156.119   69.072   18.792   52.136   18.635 16.93562 26.46474 
1 1 1   22   14   18 o  106.247   9.8406  764.821  129.592  685.459  199.454  822.800  170.480  100.748   15.589  111.745   12.013 -10.99691 19.68114 
1 1 1   22   16    0 o  129.493   6.0838  1083.54   90.563  1099.11  107.740  1046.05  167.182  131.299   6.4616  127.688   10.310 3.610680 12.16757 
1 1 1   22   16    1 o  129.676   5.8112  1109.13   86.511  1160.06  103.736  992.792  156.770  134.919   6.0545  124.432   9.9209 10.48711 11.62244 
1 1 1   22   16    2 o   52.901   9.8815  204.849   77.924  290.121   92.820   1.2604  143.421   67.190   10.878   38.611   16.500 28.57958 19.76290 
1 1 1   22   16    3 o  114.754   6.7273  912.041   85.803  1006.30  102.787  695.391  155.833  125.616   6.4434  103.892   11.811 21.72391 13.45459 
1 1 1   22   16    4 o  317.399   4.2112  6335.98  150.269  6240.19  174.969  6605.25  293.349  313.163   4.3996  321.634   7.1820 -8.470856 8.422426 
1 1 1   22   16    5 o  115.645   6.4601  811.328   85.537  756.753   99.655  964.050  166.708  108.855   7.2090  122.435   10.722 -13.58050 12.92015 
1 1 1   22   16    6 o  150.407   6.1717  1531.94  103.262  1637.27  122.375  1271.53  192.425  160.243   6.0136  140.570   10.779 19.67342 12.34332 
1 1 1   22   16    7 o  378.077   5.0624  8954.73  229.482  8613.13  279.082  9667.91  403.246  367.512   5.9797  388.642   8.1704 -21.13031 10.12485 
1 1 1   22   16    8 o  301.100   4.6115  5781.73  148.898  5776.17  169.941  5800.09  308.923  301.228   4.4425  300.972   8.0825 0.2564087 9.222964 
1 1 1   22   16    9 o  215.559   5.0629  2881.01  128.835  2738.18  154.073  3213.07  234.917  207.187   5.8558  223.930   8.2608 -16.74249 10.12581 
1 1 1   22   16   10 o   44.116   11.214   53.218   69.252   11.413   77.064  228.635  157.860   29.406   12.307   58.826   18.750 -29.42009 22.42764 
1 1 1   22   16   11 o  200.230   4.5485  2433.67   92.575  2353.10  102.764  2780.60  213.240  192.243   4.2093  208.216   8.0645 -15.97343 9.096944 
1 1 1   22   16   12 o   34.440   10.516   17.124   60.625   20.616   65.046  -5.9769  167.297   28.200   11.503   40.680   17.606 -12.48039 21.03103 
1 1 1   22   16   13 o   74.818   10.587  464.042   55.941  483.315   58.598  265.853  187.912   87.004   5.3036   62.632   20.499 24.37160 21.17437 
1 1 1   22   16   14 o   99.026   6.9442  585.793   45.463  577.485   47.097  699.345  174.120   95.200   3.8956  102.853   13.331 -7.653046 13.88831 
1 1 1   22   18    0 o   91.547   8.5613  482.667   93.502  371.085  111.433  748.151  171.884   75.737   11.586  107.356   12.608 -31.61932 17.12250 
1 1 1   22   18    1 o   42.743   15.523  100.965  108.850  100.965  108.850   0.0000   0.0000   42.743   15.523  ?   ?       ?      ? 
1 1 1   22   18    2 o  174.312   5.5379  1958.61  109.572  1973.82  129.084  1919.41  207.270  175.883   5.7792  172.742   9.4484 3.140671 11.07576 
1 1 1   22   18    3 o  225.104   4.7050  3167.64  120.484  3082.11  140.920  3400.08  232.302  219.897   5.0463  230.312   7.9425 -10.41528 9.410053 
1 1 1   22   18    4 f   94.997   8.4770  571.782   94.264  550.315  112.308  622.959  173.405   92.433   9.5676   97.560   13.996 -5.126045 16.95394 
1 1 1   22   18    5 o   84.187   9.7534  446.984   90.894  418.523  105.757  527.432  177.803   80.474   10.348   87.899   16.535 -7.424698 19.50674 
1 1 1   22   18    6 o  143.074   6.0609  1329.97   96.490  1344.76  112.509  1288.86  187.616  145.047   6.1080  141.100   10.470 3.947220 12.12181 
1 1 1   22   18    7 o  126.364   6.4941  1011.99   90.349  993.877  104.029  1067.59  182.266  124.594   6.5748  128.134   11.201 -3.539085 12.98826 
1 1 1   22   18    8 o  118.456   6.7925  858.780   86.124  819.099   97.280  1002.63  185.221  113.036   6.7768  123.876   11.774 -10.83985 13.58504 
1 1 1   22   18    9 o  216.720   4.6195  2999.81  106.541  2989.65  121.163  3034.44  223.711  216.497   4.4070  216.942   8.1202 -0.4445190 9.238988 
1 1 1   22   18   10 o  161.807   5.6055  1658.74  104.198  1617.78  122.778  1764.19  197.000  158.845   6.0866  164.770   9.4148 -5.924927 11.21091 
1 1 1   22   18   11 o   29.139   12.228   13.517   76.396   13.517   76.396   0.0000   0.0000   29.139   12.228  ?   ?       ?      ? 
1 1 1   22   18   12 o   92.972   6.5149  557.016   76.920  557.016   76.920   0.0000   0.0000   92.972   6.5149  ?   ?       ?      ? 
1 1 1   22   20    0 o  110.657   8.2558  819.063  105.101  836.861  125.614  777.525  191.905  113.598   8.7074  107.716   14.029 5.881752 16.51165 
1 1 1   22   20    1 o  208.283   5.2711  2815.16  124.856  2836.32  147.321  2761.21  235.230  210.428   5.5130  206.139   8.9857 4.288177 10.54212 
1 1 1   22   20    2 o   41.770   12.327   56.950   98.286   74.195  112.221   0.1592  203.647   39.616   15.452   43.924   19.212 -4.308395 24.65455 
1 1 1   22   20    3 o  113.353   8.4284  821.265  104.736  791.411  120.012  916.653  214.518  110.370   8.5624  116.336   14.520 -5.965889 16.85682 
1 1 1   22   20    4 f   58.827   15.229  245.375  114.653  245.375  114.653   0.0000   0.0000   58.827   15.229  ?   ?       ?      ? 
1 1 1   22   20    5 o   25.999   12.689 -230.6430  137.069 -230.6430  137.069   0.0000   0.0000   25.999   12.689  ?   ?       ?      ? 
1 1 1   22   20    7 o   25.895   12.628 -220.3944  135.071 -220.3944  135.071   0.0000   0.0000   25.895   12.628  ?   ?       ?      ? 
1 1 1   22   20    8 o  205.669   5.9600  2729.64  155.665  2729.64  155.665   0.0000   0.0000  205.669   5.9600  ?   ?       ?      ? 
1 1 1   22   20    9 o  153.794   6.8113  1537.24  133.029  1537.24  133.029   0.0000   0.0000  153.794   6.8113  ?   ?       ?      ? 
1 1 1   22   22    0 o   35.554   15.747  -0.2759  140.868  -0.2759  140.868   0.0000   0.0000   35.554   15.747  ?   ?       ?      ? 
1 1 1   22   22    1 o   55.512   17.827  242.364  142.504  242.364  142.504   0.0000   0.0000   55.512   17.827  ?   ?       ?      ? 
1 1 1   22   22    2 o   30.741   14.355 -85.5543  138.366 -85.5543  138.366   0.0000   0.0000   30.741   14.355  ?   ?       ?      ? 
1 1 1   22   22    4 o  104.288   10.154  742.687  134.480  742.687  134.480   0.0000   0.0000  104.288   10.154  ?   ?       ?      ? 
1 1 1   22   22    5 o   53.425   16.007  224.455  117.154  224.455  117.154   0.0000   0.0000   53.425   16.007  ?   ?       ?      ? 
1 1 1   23    1    0 o  663.505   5.4269 27967.24  457.227 28213.27  651.926 27729.07  641.434  666.375   7.7038  660.635   7.6456 5.739868 10.85372 
1 1 1   23    1    1 o  728.030   5.8859 33675.27  544.140 33942.02  775.281 33416.29  763.904  730.869   8.3530  725.191   8.2949 5.678772 11.77187 
1 1 1   23    1    2 f  368.939   3.4689  8629.32  162.354  8980.49  236.381  8315.72  223.378  376.031   4.9501  361.847   4.8611 14.18353 6.937842 
1 1 1   23    1    3 o  351.214   3.3867  7827.86  150.992  8066.01  217.282  7605.45  209.974  356.375   4.8011  346.052   4.7780 10.32336 6.773453 
1 1 1   23    1    4 o  762.242   6.1322 36907.68  593.473 36458.07  829.285 37379.68  849.682  757.487   8.6209  766.996   8.7234 -9.508118 12.26446 
1 1 1   23    1    5 o  896.564   7.1304 51079.50  811.780 50685.58  1139.61 51485.28  1156.64  893.058   10.048  900.070   10.119 -7.012085 14.26074 
1 1 1   23    1    6 o  1128.84   8.8731 81017.30  1271.86 81701.80  1814.27 80355.82  1783.48  1133.52   12.604  1124.16   12.493 9.361572 17.74613 
1 1 1   23    1    7 o  670.586   5.5036 28558.81  468.562 28981.36  672.019 28159.04  653.655  675.409   7.8350  665.763   7.7313 9.646179 11.00724 
1 1 1   23    1    8 o  310.313   4.1875  6060.94  155.182  6278.24  272.460  5956.60  188.797  314.376   6.8246  306.250   4.8545 8.125305 8.375005 
1 1 1   23    1    9 o  1646.48   12.811 172670.80  2678.60 171880.20  3770.54 173476.41  3805.95  1642.69   18.075  1650.27   18.161 -7.585327 25.62228 
1 1 1   23    1   10 f  1487.28   16.401 140852.30  3097.63 140852.30  3097.63   0.0000   0.0000  1487.28   16.401  ?   ?       ?      ? 
1 1 1   23    1   11 o  607.656   5.0328 23455.30  388.308 23739.09  554.986 23183.15  543.496  611.254   7.1496  604.057   7.0850 7.196350 10.06551 
1 1 1   23    1   12 o  536.579   4.5539 18294.88  310.311 18350.33  439.337 18239.69  438.358  537.390   6.4377  535.768   6.4428 1.622742 9.107884 
1 1 1   23    1   13 o  331.808   3.3416  6995.20  140.791  6986.24  200.365  7003.94  197.876  331.597   4.7581  332.019   4.6930 -0.4225769 6.683112 
1 1 1   23    1   14 o  124.014   3.7039  977.679   58.328  969.294   82.682  985.986   82.296  123.484   5.2726  124.544   5.2033 -1.060486 7.407712 
1 1 1   23    1   15 o  346.510   3.4247  7632.44  150.696  7636.32  213.907  7628.61  212.336  346.596   4.8599  346.423   4.8266 0.1723938 6.849373 
1 1 1   23    1   16 o  275.859   3.1530  4837.12  110.454  4851.68  156.191  4822.56  156.220  276.275   4.4518  275.443   4.4661 0.8311157 6.305913 
1 1 1   23    1   17 o  390.349   3.6680  9688.75  181.790  9794.84  260.321  9587.76  253.978  392.429   5.2236  388.268   5.1509 4.161530 7.336087 
1 1 1   23    1   18 o  216.103   3.1701  2967.28   86.965  3049.09  125.135  2890.86  120.946  218.981   4.4998  213.225   4.4666 5.755264 6.340246 
1 1 1   23    1   19 o  393.742   3.7289  9858.41  186.372 10117.50  268.500  9617.52  258.900  398.726   5.3026  388.759   5.2441 9.967255 7.457817 
1 1 1   23    1   20 o  357.973   3.5729  8156.52  162.410  8134.92  231.086  8177.60  228.303  357.498   5.0901  358.448   5.0154 -0.9493103 7.145853 
1 1 1   23    1   21 o  366.339   3.6872  8536.89  171.413  8796.19  248.245  8300.59  236.977  371.640   5.2599  361.037   5.1686 10.60294 7.374405 
1 1 1   23    1   23 o  329.315   3.6875  6903.98  154.096  7108.46  223.278  6718.00  212.937  333.954   5.2648  324.676   5.1644 9.278046 7.374927 
1 1 1   23    1   24 o  319.511   3.5773  6509.06  145.141  6619.71  206.082  6400.16  204.447  322.211   5.0364  316.811   5.0816 5.400116 7.154615 
1 1 1   23    1   25 o  125.618   5.0516  1012.18   80.555  973.940  112.706  1052.12  115.179  123.183   7.2048  128.055   7.0827 -4.871956 10.10317 
1 1 1   23    1   26 o  128.668   4.9330  1063.73   80.401  1041.50  109.401  1089.84  118.560  127.259   6.7694  130.077   7.1773 -2.817589 9.866034 
1 1 1   23    1   27 o   84.372   8.8869  513.040   83.988  241.752  117.151  799.933  120.474   58.039   15.572  110.705   8.5694 -52.66591 17.77374 
1 1 1   23    1   28 o  187.284   4.1968  2266.35   99.814  2256.99  140.939  2275.76  141.377  186.894   5.9383  187.673   5.9320 -0.7788544 8.393527 
1 1 1   23    1   29 o  160.855   4.4661  1687.97   91.051  1569.19  128.770  1806.73  128.761  155.040   6.5402  166.669   6.0835 -11.62889 8.932144 
1 1 1   23    3    0 o  328.568   3.3578  6842.56  139.966  7237.38  203.127  6485.63  193.134  337.574   4.7383  319.561   4.7591 18.01285 6.715691 
1 1 1   23    3    1 o  943.271   7.4811 56555.29  896.127 56286.27  1262.00 56828.88  1272.70  941.011   10.561  945.532   10.599 -4.521179 14.96221 
1 1 1   23    3    2 o  268.741   3.1026  4584.56  105.850  4758.60  151.327  4417.83  148.113  273.733   4.3532  263.749   4.4221 9.984131 6.205256 
1 1 1   23    3    3 o  1124.43   8.8353 80311.17  1260.62 78458.42  1741.26 82351.81  1827.42  1110.84   12.343  1138.03   12.645 -27.18994 17.67057 
1 1 1   23    3    4 o  940.300   9.1384 56261.02  1029.74 56339.51  1262.86 56105.30  1778.82  941.505   10.562  939.096   14.916 2.409973 18.27675 
1 1 1   23    3    5 o  712.365   7.1087 32305.63  607.024 32415.78  745.011 32088.05  1047.02  714.284   8.2132  710.446   11.605 3.837708 14.21739 
1 1 1   23    3    6 o  1127.86   8.8665 80881.13  1269.90 80498.85  1786.79 81271.30  1805.17  1125.17   12.505  1130.55   12.573 -5.376953 17.73306 
1 1 1   23    3    7 o  296.357   4.8777  5577.96  183.574   0.0000   0.0000  5577.96  183.574  ?   ?   296.357   4.8777      ?      ? 
1 1 1   23    3    8 o  798.138   9.0715 40480.38  919.461 40480.38  919.461   0.0000   0.0000  798.138   9.0715  ?   ?       ?      ? 
1 1 1   23    3    9 o  802.661   6.4434 40942.59  656.784 40816.56  926.217 41070.07  931.472  801.419   9.1007  803.903   9.1241 -2.483215 12.88688 
1 1 1   23    3   10 o  694.349   5.6609 30635.24  499.165 30658.12  705.933 30612.36  705.919  694.608   8.0029  694.089   8.0087 0.5189209 11.32189 
1 1 1   23    3   11 o  929.359   7.3855 54930.63  871.645 54848.97  1230.55 55012.86  1234.84  928.667   10.434  930.050   10.455 -1.383362 14.77102 
1 1 1   23    3   12 o  653.654   5.3824 27084.74  445.826 25998.17  606.773 28359.54  657.232  639.465   7.4719  667.842   7.7494 -28.37695 10.76487 
1 1 1   23    3   13 o  377.431   4.3967  9086.80  198.417  9145.42  243.097  8969.82  343.420  379.346   5.0462  375.515   7.2015 3.831512 8.793495 
1 1 1   23    3   14 o  389.492   3.6353  9636.90  179.744  9363.38  250.131  9928.94  258.465  383.783   5.1322  395.201   5.1500 -11.41888 7.270627 
1 1 1   23    3   15 o  510.186   4.4050 16537.77  285.116 17034.87  414.522 16091.45  392.784  517.440   6.3083  502.932   6.1499 14.50742 8.809957 
1 1 1   23    3   16 f   40.131   9.6294   99.907   62.122 -58.1159  134.525  142.739   70.037   33.910   15.180   46.351   11.852 -12.44082 19.25885 
1 1 1   23    3   17 o  310.815   3.2996  6138.71  130.195  5948.49  181.549  6340.13  186.811  305.860   4.6740  315.770   4.6586 -9.909760 6.599171 
1 1 1   23    3   18 o  237.775   3.1733  3594.86   95.813  3536.27  134.857  3654.59  136.153  235.818   4.5032  239.733   4.4722 -3.915359 6.346600 
1 1 1   23    3   19 o  318.171   3.3730  6440.57  136.273  6329.54  192.525  6552.05  192.913  315.418   4.8064  320.924   4.7335 -5.505798 6.745950 
1 1 1   23    3   20 o  415.367   3.8694 10978.74  204.011 10698.90  283.278 11280.28  294.054  409.879   5.4423  420.855   5.5020 -10.97543 7.738842 
1 1 1   23    3   21 o  307.105   5.0114  6005.49  195.443   0.0000   0.0000  6005.49  195.443  ?   ?   307.105   5.0114      ?      ? 
1 1 1   23    3   22 o  202.053   4.0787  2603.88  104.601  2584.99  150.045  2621.74  145.899  201.324   5.8688  202.781   5.6656 -1.456512 8.157331 
1 1 1   23    3   23 o  305.992   3.5558  5961.49  138.069  5645.68  192.368  6297.02  198.284  297.628   5.0896  314.356   4.9669 -16.72791 7.111551 
1 1 1   23    3   24 o  270.359   3.5148  4660.46  120.654  4717.04  172.578  4606.36  168.748  271.958   4.9970  268.761   4.9442 3.197144 7.029548 
1 1 1   23    3   25 o  155.779   4.3253  1553.26   85.538  1497.45  119.669  1611.56  122.312  152.910   6.1626  158.649   6.0709 -5.739212 8.650670 
1 1 1   23    3   26 o  206.644   3.6748  2733.74   96.428  2691.12  136.055  2776.75  136.685  205.017   5.2258  208.272   5.1679 -3.255020 7.349520 
1 1 1   23    3   27 f  149.962   7.7533  1463.44  147.654   0.0000   0.0000  1463.44  147.654  ?   ?   149.962   7.7533      ?      ? 
1 1 1   23    3   28 o   63.454   10.198  341.760   83.982  439.657  101.301  126.587  150.184   81.125   9.8328   45.782   17.870 35.34304 20.39674 
1 1 1   23    3   29 o  136.118   7.5484  1261.56  129.675  1352.40  196.811  1191.88  172.383  140.039   11.067  132.196   10.268 7.842667 15.09675 
1 1 1   23    5    0 o  462.467   5.8682 13584.33  344.639 13584.33  344.639   0.0000   0.0000  462.467   5.8682  ?   ?       ?      ? 
1 1 1   23    5    1 o  532.146   4.6382 17926.80  312.879 19041.80  459.568 16963.51  427.161  547.516   6.6096  516.777   6.5090 30.73895 9.276498 
1 1 1   23    5    2 o  563.013   4.8151 20076.62  343.674 21138.40  504.516 19157.36  469.435  576.858   6.8870  549.167   6.7312 27.69049 9.630142 
1 1 1   23    5    3 o  1203.49   11.593 91928.93  1663.28 91427.45  2026.11 92965.30  2912.71  1198.98   13.307  1208.01   18.987 -9.027954 23.18543 
1 1 1   23    5    4 o  463.871   5.9062 13667.14  347.924 13667.14  347.924   0.0000   0.0000  463.871   5.9062  ?   ?       ?      ? 
1 1 1   23    5    5 o  658.823   5.4654 27513.64  456.607 28709.96  668.006 26464.51  625.562  672.230   7.8250  645.416   7.6323 26.81421 10.93079 
1 1 1   23    5    6 o  219.809   3.4580  3049.55   96.131  2868.57  129.029  3275.34  144.120  212.526   4.7808  227.092   4.9974 -14.56657 6.915908 
1 1 1   23    5    7 o  1356.32   10.601 117011.80  1825.32 119051.90  2624.99 115101.90  2539.91  1367.73   15.113  1344.90   14.871 22.83325 21.20273 
1 1 1   23    5    8 o  956.294   7.5861 58136.41  921.245 58428.75  1308.43 57849.03  1297.31  958.676   10.747  953.912   10.709 4.763672 15.17213 
1 1 1   23    5    9 o  777.201   6.2706 38389.00  618.872 38660.20  880.012 38123.63  870.499  779.916   8.8851  774.487   8.8507 5.428284 12.54113 
1 1 1   23    5   10 o  263.147   3.1807  4396.33  106.107  4365.37  145.572  4431.44  154.985  262.161   4.3725  264.133   4.6205 -1.971497 6.361457 
1 1 1   23    5   11 o  410.681   3.7744 10714.88  196.830 10871.42  280.584 10563.20  276.188  413.634   5.3416  407.728   5.3340 5.905243 7.548802 
1 1 1   23    5   12 o  686.175   5.6161 29960.68  489.344 30221.12  697.219 29707.85  686.969  689.109   7.9672  683.241   7.9175 5.867249 11.23218 
1 1 1   23    5   13 o  398.751   3.7129 10096.82  187.875  9811.49  259.676 10410.23  272.153  392.851   5.2051  404.651   5.2961 -11.80042 7.425705 
1 1 1   23    5   14 o  146.021   3.4906  1355.89   64.619  1361.72   88.947  1349.38   94.034  146.359   4.7856  145.684   5.0827 0.6757813 6.981119 
1 1 1   23    5   15 o  248.829   3.1596  3936.88   99.789  3901.15  143.115  3970.68  139.212  247.725   4.5492  249.933   4.3861 -2.207962 6.319253 
1 1 1   23    5   16 o  432.656   3.9280 11908.17  215.805 11992.86  307.505 11825.97  302.934  434.168   5.5772  431.144   5.5328 3.024750 7.856050 
1 1 1   23    5   17 o  325.909   3.3938  6750.85  140.416  6551.23  195.657  6962.85  201.633  320.944   4.8005  330.873   4.7987 -9.929230 6.787674 
1 1 1   23    5   18 o  428.801   3.9277 11702.85  213.866 11532.88  300.315 11877.75  304.635  425.642   5.5559  431.960   5.5534 -6.317688 7.855458 
1 1 1   23    5   19 o  185.047   3.3169  2178.41   77.937  2227.64  111.038  2130.61  109.418  187.109   4.6731  182.986   4.7086 4.123367 6.633887 
1 1 1   23    5   20 o  127.085   4.2178  1032.60   67.834  1119.92   95.277  942.843   96.599  132.575   5.6592  121.596   6.2557 10.97887 8.435621 
1 1 1   23    5   22 o  230.957   3.4318  3395.00  100.583  3324.13  139.156  3472.54  145.551  228.444   4.7967  233.471   4.9091 -5.026550 6.863548 
1 1 1   23    5   23 o  368.077   3.7106  8641.01  173.444  8578.98  244.959  8703.37  245.616  366.749   5.2595  369.405   5.2357 -2.656708 7.421281 
1 1 1   23    5   24 o  168.428   3.7660  1811.16   80.540  1770.39  112.864  1853.46  114.966  166.496   5.3379  170.361   5.3140 -3.865707 7.532071 
1 1 1   23    5   25 o   90.408   6.1669  527.834   70.622  478.215   97.061  583.654  102.947   85.871   8.9006   94.946   8.5381 -9.074738 12.33370 
1 1 1   23    5   26 o  159.192   3.9474  1622.92   79.572  1683.67  117.869  1572.06  107.861  161.872   5.7339  156.511   5.4267 5.361023 7.894761 
1 1 1   23    5   27 o   46.864   13.532   80.564  130.942  207.738  198.611 -17.2147  174.151   54.815   20.766   38.914   17.356 15.90043 27.06396 
1 1 1   23    5   28 o  104.376   9.3853  733.178  121.548  980.310  196.690  580.493  154.602  118.091   13.116   90.661   13.428 27.42939 18.77055 
1 1 1   23    5   29 o  132.857   8.0566  1244.31  134.185  1176.80  202.354  1297.30  179.269  128.464   12.404  137.250   10.285 -8.785843 16.11325 
1 1 1   23    7    1 o  826.049   8.2184 43039.06  809.724 44380.89  1423.49 42397.21  984.518  835.314   13.419  816.784   9.4916 18.52979 16.43674 
1 1 1   23    7    2 o  631.257   5.3553 25309.69  429.040 25139.29  595.420 25493.71  618.761  629.053   7.4535  633.461   7.6918 -4.407837 10.71061 
1 1 1   23    7    3 o   93.601   6.9999  548.023   81.512  515.882  103.948  599.345  131.351   90.101   9.0847   97.102   10.652 -7.001030 13.99982 
1 1 1   23    7    4 o  206.686   4.8830  2713.15  128.167  2713.15  128.167   0.0000   0.0000  206.686   4.8830  ?   ?       ?      ? 
1 1 1   23    7    5 o  275.908   4.7173  4834.79  165.287  4834.79  165.287   0.0000   0.0000  275.908   4.7173  ?   ?       ?      ? 
1 1 1   23    7    6 o  222.513   3.4912  3128.85   97.444  3047.61  127.421  3243.29  151.232  219.056   4.5804  225.970   5.2701 -6.914215 6.982418 
1 1 1   23    7    7 o  205.464   3.5451  2703.65   91.267  2838.20  121.447  2529.06  138.339  211.392   4.5240  199.535   5.4594 11.85634 7.090263 
1 1 1   23    7    8 o  330.409   3.4881  6920.05  145.787  6775.73  196.752  7095.75  217.093  326.602   4.7438  334.215   5.1150 -7.613159 6.976110 
1 1 1   23    7    9 o  147.621   3.8592  1391.76   71.150  1425.68   93.191  1344.35  110.167  149.799   4.8988  145.443   5.9646 4.356354 7.718473 
1 1 1   23    7   10 o  397.070   3.7620 10017.87  189.635 10392.41  270.507  9655.93  265.920  404.370   5.2677  389.771   5.3724 14.59894 7.524025 
1 1 1   23    7   11 f  477.259   4.2277 14484.28  256.188 14430.17  358.640 14540.67  366.085  476.355   5.9286  478.164   6.0288 -1.808044 8.455403 
1 1 1   23    7   12 f  126.810   3.9675  1007.48   63.236  923.281   82.551  1127.05   98.373  120.500   5.3945  133.120   5.8191 -12.61942 7.934926 
1 1 1   23    7   13 o  353.362   3.4989  7919.80  156.736  7635.09  214.137  8248.33  230.030  346.545   4.8658  360.178   5.0291 -13.63290 6.997712 
1 1 1   23    7   14 o   80.454   5.5825  426.199   54.609  470.954   70.255  357.886   86.798   86.017   6.4316   74.891   9.1265 11.12608 11.16504 
1 1 1   23    7   15 o   89.600   5.3041  526.600   57.372  566.576   72.468  459.468   93.910   94.347   6.0484   84.852   8.7150 9.495087 10.60823 
1 1 1   23    7   16 o  477.366   5.1812 14350.80  292.626 14051.52  352.734 15011.44  524.074  469.812   5.9122  484.920   8.5103 -15.10849 10.36237 
1 1 1   23    7   17 o  173.982   3.3593  1917.57   73.839  1850.45   98.810  2002.46  111.120  170.561   4.5619  177.402   4.9324 -6.841187 6.718550 
1 1 1   23    7   18 o  231.479   3.2330  3409.19   94.576  3408.38  127.615  3410.18  140.867  231.472   4.3414  231.486   4.7919 -0.1420593E-01 6.466048 
1 1 1   23    7   19 o  131.007   4.1245  1111.75   67.494  1268.55   92.356  932.004   98.880  141.137   5.1528  120.876   6.4416 20.26170 8.248955 
1 1 1   23    7   21 o  194.362   4.9629  2406.81  122.498   0.0000   0.0000  2406.81  122.498  ?   ?   194.362   4.9629      ?      ? 
1 1 1   23    7   22 o  212.644   3.4450  2881.73   92.774  2875.77  126.541  2888.64  136.421  212.437   4.6905  212.852   5.0469 -0.4151306 6.890044 
1 1 1   23    7   23 o  264.503   3.4330  4471.69  115.085  4651.28  160.002  4279.20  165.654  270.063   4.6653  258.942   5.0376 11.12042 6.866032 
1 1 1   23    7   24 o  169.453   3.7073  1850.13   78.376  1916.67  102.806  1757.79  121.111  173.243   4.6729  165.663   5.7568 7.580154 7.414577 
1 1 1   23    7   25 o   60.479   13.667  263.198  118.505  297.283  174.658  234.121  161.317   63.554   19.648   57.405   19.003 6.149311 27.33429 
1 1 1   23    7   26 o  238.755   6.5057  3706.88  194.127  2888.05  259.965  4739.04  291.872  208.751   9.8064  268.759   8.5517 -60.00797 13.01140 
1 1 1   23    7   27 o  182.284   6.5967  2238.71  150.772  2055.30  225.524  2386.93  202.738  174.628   10.170  189.940   8.4051 -15.31252 13.19338 
1 1 1   23    7   28 o   71.351   13.637  413.809  123.084  506.790  203.969  360.560  154.356   76.316   20.577   66.386   17.900 9.929573 27.27316 
1 1 1   23    9    0 o  372.063   4.5346  8716.39  202.181  8564.14  246.805  9027.01  352.527  367.196   5.2927  376.931   7.3647 -9.735046 9.069247 
1 1 1   23    9    1 o  646.991   7.6152 26598.01  625.683 26598.01  625.683   0.0000   0.0000  646.991   7.6152  ?   ?       ?      ? 
1 1 1   23    9    2 o  628.359   5.3270 25088.63  424.805 25078.50  590.180 25099.51  611.941  628.236   7.3975  628.482   7.6672 -0.2464600 10.65408 
1 1 1   23    9    3 o  303.284   3.7241  5832.40  141.417  5781.56  184.736  5904.36  219.787  301.700   4.8217  304.867   5.6769 -3.167328 7.448228 
1 1 1   23    9    4 o  272.951   3.7582  4731.23  128.009  4723.88  166.206  4741.96  200.694  272.703   4.7993  273.199   5.7847 -0.4965820 7.516380 
1 1 1   23    9    5 o  471.959   4.3708 14163.19  261.425 14286.95  359.248 14023.89  381.144  474.165   5.9661  469.753   6.3891 4.412079 8.741564 
1 1 1   23    9    6 o  354.674   3.7827  7991.08  168.926  7973.80  224.598  8013.58  256.329  354.250   4.9925  355.097   5.6842 -0.8467712 7.565427 
1 1 1   23    9    7 o  264.260   3.5568  4418.77  117.157  4340.16  151.168  4537.02  185.390  261.351   4.5547  267.170   5.4641 -5.819489 7.113502 
1 1 1   23    9    8 o  718.808   8.2896 32901.66  756.698 32901.66  756.698   0.0000   0.0000  718.808   8.2896  ?   ?       ?      ? 
1 1 1   23    9    9 o  416.896   3.9942 11036.11  210.727 10867.89  285.332 11237.95  312.552  413.429   5.4347  420.363   5.8549 -6.933624 7.988458 
1 1 1   23    9   10 o  221.223   3.6050  3177.33   98.357  3443.27  128.179  2796.50  153.386  232.759   4.3364  209.687   5.7602 23.07210 7.210021 
1 1 1   23    9   11 o  373.312   3.7397  8860.62  176.696  8839.92  240.127  8885.07  260.941  372.859   5.0713  373.765   5.4975 -0.9051208 7.479344 
1 1 1   23    9   12 f  249.656   3.4217  3967.20  106.815  3986.48  139.557  3939.94  165.971  250.420   4.3884  248.892   5.2510 1.528046 6.843329 
1 1 1   23    9   13 o  444.514   4.1109 12580.20  231.927 12782.10  324.203 12368.57  331.922  448.188   5.6961  440.839   5.9290 7.349060 8.221819 
1 1 1   23    9   14 f  158.337   4.0185  1633.47   76.090  1717.06   94.419  1478.61  128.512  164.321   4.5247  152.353   6.6422 11.96788 8.036921 
1 1 1   23    9   15 f  339.944   3.5818  7336.11  153.813  7193.07  206.258  7515.32  230.864  336.252   4.8302  343.636   5.2903 -7.383545 7.163675 
1 1 1   23    9   16 o  436.030   4.0833 12107.23  225.730 12062.63  310.173 12157.45  329.129  435.214   5.6121  436.845   5.9328 -1.631195 8.166623 
1 1 1   23    9   17 o  115.420   4.8024  859.333   61.999  870.008   72.485  830.234  119.673  116.906   4.8824  113.933   8.2712 2.972847 9.604717 
1 1 1   23    9   19 o  112.850   6.1896  825.945   62.413  829.813   67.602  803.616  162.437  114.156   4.6632  111.543   11.467 2.612732 12.37925 
1 1 1   23    9   20 o  286.400   5.1934  5211.46  188.202  5790.07  280.071  4735.07  254.131  300.794   7.3320  272.006   7.3570 28.78781 10.38670 
1 1 1   23    9   21 o  312.076   5.4913  6258.72  217.290  5946.43  310.161  6559.72  304.505  304.308   8.0259  319.844   7.4968 -15.53549 10.98264 
1 1 1   23    9   22 o  275.848   5.6960  4897.63  199.126  4933.22  291.511  4866.49  272.648  276.670   8.2969  275.025   7.8064 1.644836 11.39203 
1 1 1   23    9   23 o  275.869   5.4768  4911.69  191.820  4790.48  267.669  5039.66  275.028  272.376   7.7384  279.362   7.7523 -6.985504 10.95363 
1 1 1   23    9   24 f   74.733   13.590  414.654  132.153  532.021  191.924  308.836  182.238   85.124   18.298   64.341   20.099 20.78366 27.18094 
1 1 1   23    9   25 f   24.364   12.378 -736.2329  142.398 -698.7665  202.707 -772.7354  200.082   24.364   12.378  ?   ?       ?      ? 
1 1 1   23    9   26 o  189.064   6.1438  2377.25  147.252  2223.38  208.337  2530.86  208.154  182.657   8.9816  195.471   8.3854 -12.81416 12.28758 
1 1 1   23    9   27 o   45.001   18.287  130.439  163.591   0.0000   0.0000  130.439  163.591  ?   ?    45.001   18.287      ?      ? 
1 1 1   23   11    0 o  227.518   3.8766  3286.16  101.411  3280.55  120.117  3300.09  189.230  227.231   4.1625  227.806   6.5410 -0.5745544 7.753192 
1 1 1   23   11    1 o  422.128   4.5356 11435.30  213.977 11552.41  249.853 11113.09  414.449  426.375   4.6144  417.882   7.8098 8.492706 9.071145 
1 1 1   23   11    2 f  311.990   3.9565  6163.77  137.006  6137.99  158.794  6238.84  270.994  310.813   4.0231  313.166   6.8141 -2.353607 7.913075 
1 1 1   23   11    3 o  485.956   4.9744 14818.28  262.505 14629.00  300.369 15430.26  540.098  479.741   4.9303  492.172   8.6413 -12.43106 9.948841 
1 1 1   23   11    4 o  265.258   3.7921  4438.33  111.322  4402.25  128.708  4545.49  221.795  263.219   3.8504  267.297   6.5340 -4.078430 7.584130 
1 1 1   23   11    5 o  334.831   4.2361  7022.63  167.098  6848.29  200.482  7419.32  302.416  328.230   4.8097  341.433   6.9746 -13.20316 8.472242 
1 1 1   23   11    6 o  470.858   5.1834 14080.70  291.310 14013.92  355.328 14217.58  508.748  469.374   5.9612  472.341   8.4814 -2.967590 10.36679 
1 1 1   23   11    7 o  298.129   3.9046  5696.90  125.629  5737.18  144.044  5568.88  256.785  300.477   3.7749  295.781   6.8363 4.695374 7.809285 
1 1 1   23   11    8 o  536.379   5.3424 18461.45  315.931 18600.60  366.035 18054.97  625.598  540.805   5.3297  531.953   9.2607 8.852295 10.68489 
1 1 1   23   11    9 o  135.259   4.5231  1195.26   61.979  1216.41   69.561  1113.78  136.523  138.343   3.9594  132.174   8.1336 6.168823 9.046122 
1 1 1   23   11   10 o  584.928   5.7056 21946.43  367.988 22079.22  426.240 21557.77  729.226  589.051   5.6980  580.805   9.8868 8.245972 11.41120 
1 1 1   23   11   11 o  225.837   3.7699  3088.14   85.575  2994.45   94.682  3506.05  199.971  217.071   3.4347  234.604   6.7120 -17.53320 7.539805 
1 1 1   23   11   12 o  108.751   5.8654  833.751   53.864  864.393   58.242  652.612  141.606  116.605   3.9331  100.896   11.052 15.70886 11.73073 
1 1 1   23   11   13 o  410.714   4.5008 10778.79  198.943 10805.38  227.584 10692.61  409.640  412.180   4.3479  409.249   7.8820 2.930328 9.001679 
1 1 1   23   11   14 o  155.444   4.4881  1539.49   62.278  1539.15   67.337  1541.52  163.758  155.603   3.4077  155.285   8.3041 0.3178406 8.976143 
1 1 1   23   11   15 o  237.128   4.1008  3744.95   96.061  3847.95  107.265  3327.69  215.889  246.016   3.4333  228.240   7.4484 17.77573 8.201572 
1 1 1   23   11   16 o   98.412   10.564  630.084  131.741  645.910  193.610  616.438  179.777   99.496   15.323   97.329   14.545 2.167099 21.12712 
1 1 1   23   11   17 o  278.100   5.5792  4947.67  196.974  4806.08  274.605  5097.73  282.698  274.004   7.8917  282.196   7.8885 -8.192169 11.15831 
1 1 1   23   11   18 o  179.721   6.2948  2095.67  142.142  1853.37  208.170  2307.32  194.558  169.708   9.6591  189.734   8.0747 -20.02658 12.58965 
1 1 1   23   11   19 o  246.666   5.5957  3903.33  175.226  4046.30  249.822  3764.87  245.841  251.137   7.8333  242.195   7.9930 8.942459 11.19144 
1 1 1   23   11   20 o  133.131   8.1152  1157.10  136.716  1138.52  200.968  1173.12  186.529  131.974   11.991  134.288   10.938 -2.313828 16.23032 
1 1 1   23   11   21 o   38.948   12.354 -62.8447  128.976 -151.0967  195.059   5.7137  171.923   36.579   17.068   41.317   17.865 -4.738159 24.70810 
1 1 1   23   11   22 o  168.158   7.1196  1844.18  151.067  1963.68  229.439  1752.72  200.713  172.715   10.461  163.601   9.6608 9.114105 14.23927 
1 1 1   23   11   23 o   80.901   15.159  530.215  182.033  191.310  267.068  824.274  248.771   57.023   23.290  104.779   19.411 -47.75599 30.31860 
1 1 1   23   13    0 f  325.078   4.0916  6690.11  148.793  6654.18  173.150  6791.54  290.938  323.561   4.2140  326.596   7.0148 -3.034241 8.183172 
1 1 1   23   13    1 o  168.561   4.5149  1854.95   82.580  1900.58   95.369  1718.23  165.086  172.916   4.3430  164.206   7.9167 8.709793 9.029740 
1 1 1   23   13    2 o   39.928   10.360   80.690   63.655   79.358   74.934   84.142  120.642   37.195   12.943   42.661   16.179 -5.466728 20.71921 
1 1 1   23   13    3 o  279.623   3.9011  4979.89  122.343  4986.65  142.815  4961.23  237.149  280.103   4.0149  279.144   6.6898 0.9586792 7.802166 
1 1 1   23   13    4 o  374.410   4.2874  9014.21  178.525  9115.79  207.967  8729.72  348.052  378.674   4.3246  370.146   7.4045 8.528656 8.574889 
1 1 1   23   13    5 o  400.436   4.4394 10143.03  194.128 10081.18  223.083 10335.95  394.018  398.201   4.4115  402.671   7.7053 -4.469910 8.878772 
1 1 1   23   13    6 o  304.530   3.9948  5909.90  132.896  5917.95  153.024  5885.21  268.076  305.124   3.9492  303.935   6.9454 1.188934 7.989671 
1 1 1   23   13    7 o  127.122   5.0938  1010.65   71.326  991.708   82.071  1069.10  144.184  124.851   5.1763  129.393   8.7746 -4.542160 10.18767 
1 1 1   23   13    8 o  110.800   5.8634  834.993   66.373  874.750   75.356  697.422  140.176  117.255   5.0607  104.345   10.579 12.91020 11.72674 
1 1 1   23   13    9 o  287.253   3.9808  5349.00  122.385  5434.15  140.150  5075.55  251.161  292.367   3.7747  282.138   7.0099 10.22922 7.961622 
1 1 1   23   13   10 o  183.064   4.0839  2037.50   76.448  1974.86   85.062  2300.62  174.338  176.240   3.8006  189.887   7.2297 -13.64778 8.167787 
1 1 1   23   13   11 o  264.763   3.9336  4507.93  109.234  4541.84  123.794  4388.68  232.152  267.269   3.6473  262.256   6.9706 5.013489 7.867155 
1 1 1   23   13   12 o  104.109   6.0596  570.690   58.749  521.852   63.068  891.055  161.530   90.508   5.4872  117.712   10.806 -27.20391 12.11916 
1 1 1   23   13   13 o  131.697   5.8173  1164.44   67.770  1187.52   73.547  1034.63  174.444  136.613   4.2393  126.783   10.835 9.829926 11.63459 
1 1 1   23   13   14 o  112.545   6.9936  858.778   60.940  871.339   64.653  758.735  182.466  117.001   4.3513  108.089   13.293 8.912537 13.98711 
1 1 1   23   13   15 o  271.784   5.3166  4708.02  183.132  5078.93  268.961  4387.44  250.048  281.724   7.5178  261.844   7.5197 19.88019 10.63313 
1 1 1   23   13   16 o  116.502   8.6874  895.380  125.799  803.396  192.647  963.761  166.102  110.885   13.681  122.118   10.711 -11.23257 17.37479 
1 1 1   23   13   17 o  249.161   5.5023  3987.44  174.016  3903.66  248.214  4068.43  244.033  246.534   7.9281  251.788   7.6319 -5.254150 11.00463 
1 1 1   23   13   18 f   51.592   13.066  115.081  121.316  294.531  178.527 -38.8779  165.361   64.853   19.833   38.331   17.015 26.52234 26.13211 
1 1 1   23   13   19 o  220.157   5.6439  3152.63  156.083  2958.98  234.285  3307.16  209.293  213.718   8.6323  226.596   7.2732 -12.87811 11.28785 
1 1 1   23   13   20 o   70.015   18.705  360.916  169.473   0.0000   0.0000  360.916  169.473  ?   ?    70.015   18.705      ?      ? 
1 1 1   23   15    0 o   89.575   8.2415  559.907   79.339  611.155   94.698  439.230  145.317   97.872   7.6191   81.277   14.616 16.59507 16.48291 
1 1 1   23   15    1 o  335.870   4.2216  7297.90  162.742  7456.87  193.737  6916.83  299.952  342.405   4.4555  329.335   7.1719 13.07019 8.443200 
1 1 1   23   15    2 o  309.088   4.1751  6116.29  145.329  6153.88  170.268  6015.42  278.920  311.065   4.3103  307.112   7.1516 3.952576 8.350117 
1 1 1   23   15    3 o  158.530   4.8200  1591.12   86.049  1578.09  100.459  1627.03  166.747  157.471   5.0235  159.590   8.2277 -2.119064 9.640035 
1 1 1   23   15    4 o  251.458   4.2160  4061.94  117.876  4098.72  137.229  3958.43  230.214  253.852   4.2568  249.063   7.2786 4.789352 8.431973 
1 1 1   23   15    5 o  169.907   4.6864  1834.80   89.799  1827.58  105.037  1854.40  173.106  169.456   4.8810  170.358   8.0015 -0.9021301 9.372771 
1 1 1   23   15    6 o  142.686   5.4276  1336.24   82.637  1368.22   94.738  1234.51  168.984  146.596   5.0889  138.776   9.5885 7.819809 10.85526 
1 1 1   23   15    7 o  260.967   4.3743  4303.54  133.490  4244.14  159.624  4441.72  243.458  258.204   4.8681  263.730   7.2692 -5.525665 8.748697 
1 1 1   23   15    8 o  146.511   5.6616  1199.53   84.904  1096.13   93.561  1681.98  202.101  131.153   5.6174  161.869   9.8316 -30.71574 11.32327 
1 1 1   23   15    9 o  483.230   5.6247 14706.66  317.657 14357.37  378.871 15533.30  582.848  474.399   6.2888  492.062   9.3273 -17.66345 11.24939 
1 1 1   23   15   10 o  302.481   4.9457  5856.82  172.974  5872.12  205.967  5820.21  318.629  303.547   5.3431  301.415   8.3242 2.132233 9.891459 
1 1 1   23   15   11 o  146.468   5.2448  1337.94   76.253  1317.72   84.355  1428.26  178.321  143.851   4.6176  149.086   9.4186 -5.235016 10.48966 
1 1 1   23   15   12 o  172.418   4.8454  1917.43   79.612  1926.27   87.496  1874.93  191.914  173.975   3.9603  170.861   8.8447 3.113342 9.690881 
1 1 1   23   15   13 o  258.294   4.3718  4265.39  109.247  4266.87  120.411  4258.48  259.787  258.943   3.6617  257.646   7.9399 1.297455 8.743598 
1 1 1   23   15   14 o   49.373   10.457  130.961   41.642  127.185   43.000  187.954  167.058   43.826   8.0217   54.920   19.314 -11.09427 20.91331 
1 1 1   23   15   15 o  114.029   8.7857  837.987  125.987  975.813  195.332  739.807  164.863  121.849   12.623  106.208   12.223 15.64095 17.57150 
1 1 1   23   15   16 o  185.411   7.9603  2219.53  187.432   0.0000   0.0000  2219.53  187.432  ?   ?   185.411   7.9603      ?      ? 
1 1 1   23   17    0 o  644.347   11.019 26757.07  901.626   0.0000   0.0000 26757.07  901.626  ?   ?   644.347   11.019      ?      ? 
1 1 1   23   17    1 o  287.634   4.9731  5571.83  170.684  6395.91  218.419  4279.26  273.548  316.791   5.4292  258.476   8.3337 58.31500 9.946187 
1 1 1   23   17    2 o  249.769   4.8479  4124.67  138.789  4332.01  166.454  3651.72  251.396  260.776   5.0263  238.762   8.2911 22.01355 9.695721 
1 1 1   23   17    3 o  374.417   4.8697  8826.53  215.494  8609.12  259.327  9311.62  387.360  367.478   5.5570  381.356   7.9985 -13.87836 9.739389 
1 1 1   23   17    4 o  335.130   4.4692  7218.72  169.806  7280.31  199.893  7059.06  321.838  338.122   4.6553  332.138   7.6303 5.984375 8.938300 
1 1 1   23   17    5 o  144.669   5.9566  1391.51   94.721  1446.11  110.585  1241.08  183.547  150.566   5.7835  138.772   10.415 11.79430 11.91323 
1 1 1   23   17    6 o  240.304   4.4330  3653.66  119.128  3616.64  138.475  3759.08  233.672  238.300   4.5758  242.308   7.5938 -4.008377 8.865923 
1 1 1   23   17    7 o  260.822   4.3691  4188.81  124.689  4045.83  142.525  4655.24  257.417  252.041   4.4529  269.603   7.5186 -17.56194 8.738257 
1 1 1   23   17    8 o  214.768   4.5151  2767.93  103.181  2629.92  116.101  3286.56  225.063  203.175   4.4998  226.361   7.8293 -23.18648 9.030294 
1 1 1   23   17    9 o  114.861   7.2235  876.019   83.440  891.302   93.517  816.347  184.785  118.058   6.2376  111.664   13.031 6.394493 14.44694 
1 1 1   23   17   10 o  309.493   4.6762  6164.67  172.685  6222.33  211.398  6049.04  299.373  312.150   5.3329  306.835   7.6830 5.315094 9.352407 
1 1 1   23   17   11 o  298.538   4.2944  5603.36  133.663  5526.94  150.388  5890.73  291.630  294.485   4.0214  302.590   7.5893 -8.105255 8.588854 
1 1 1   23   17   12 o   83.662   6.8535  449.975   72.815  449.975   72.815   0.0000   0.0000   83.662   6.8535  ?   ?       ?      ? 
1 1 1   23   17   13 o  176.018   4.1175  1977.64   92.039  1977.64   92.039   0.0000   0.0000  176.018   4.1175  ?   ?       ?      ? 
1 1 1   23   19    0 o  217.545   4.9481  3010.05  125.943  2971.51  150.749  3099.12  229.167  215.666   5.5042  219.423   8.2242 -3.756607 9.896122 
1 1 1   23   19    1 o  158.613   5.8296  1529.31  107.823  1404.46  126.964  1852.30  204.212  148.020   6.7543  169.208   9.5035 -21.18810 11.65922 
1 1 1   23   19    2 o  156.163   6.2892  1623.12  110.695  1685.71  131.037  1467.16  206.851  162.226   6.3606  150.101   10.852 12.12465 12.57837 
1 1 1   23   19    3 o  192.244   5.2221  2438.15  115.017  2528.37  137.432  2227.23  210.131  198.877   5.4416  185.612   8.9147 13.26485 10.44429 
1 1 1   23   19    4 o  156.946   5.9007  1533.53  104.991  1467.96  122.183  1718.59  205.269  151.310   6.3587  162.583   9.9419 -11.27319 11.80146 
1 1 1   23   19    5 o   55.556   12.735  192.732   92.244  171.754  106.415  256.136  185.003   50.188   15.305   60.923   20.358 -10.73483 25.46981 
1 1 1   23   19    6 o  239.729   4.8443  3708.75  126.411  3719.72  145.469  3674.95  255.461  241.270   4.7478  238.188   8.4455 3.081451 9.688566 
1 1 1   23   19    7 f   78.175   12.612  407.190  125.205  407.190  125.205   0.0000   0.0000   78.175   12.612  ?   ?       ?      ? 
1 1 1   23   19    8 o   33.149   14.417  -4.2233  113.287  -4.2233  113.287   0.0000   0.0000   33.149   14.417  ?   ?       ?      ? 
1 1 1   23   19    9 o  103.312   8.6485  697.269  113.466  697.269  113.466   0.0000   0.0000  103.312   8.6485  ?   ?       ?      ? 
1 1 1   23   19   10 o   40.721   15.132   98.321  104.392   98.321  104.392   0.0000   0.0000   40.721   15.132  ?   ?       ?      ? 
1 1 1   23   21    0 f   30.093   15.177 -752.4584  271.741   0.0000   0.0000 -752.4584  271.741  ?   ?    30.093   15.177      ?      ? 
1 1 1   23   21    1 o   85.791   13.430  405.749  142.377  192.515  164.104  1054.88  286.325   52.463   19.059  119.120   18.928 -66.65784 26.86075 
1 1 1   23   21    2 o   20.475   10.414 -534.6650  146.493 -534.6650  146.493   0.0000   0.0000   20.475   10.414  ?   ?       ?      ? 
1 1 1   23   21    5 o   96.069   11.160  628.227  136.154  628.227  136.154   0.0000   0.0000   96.069   11.160  ?   ?       ?      ? 
1 1 1   23   21    6 o   47.210   16.896  159.357  128.394  159.357  128.394   0.0000   0.0000   47.210   16.896  ?   ?       ?      ? 
1 1 1   23   21    7 o   80.434   12.384  452.763  126.501  452.763  126.501   0.0000   0.0000   80.434   12.384  ?   ?       ?      ? 
1 1 1   24    0    0 o  160.217   3.5385  1634.88  101.592  1634.88  101.592  1634.88  101.592  160.217   5.0042  160.217   5.0042 -0.000000 0.000000 
1 1 1   24    0    1 o  270.509   3.0455  4650.31  147.871  4650.31  147.871  4650.31  147.871  270.509   4.3070  270.509   4.3070 -0.000000 0.000000 
1 1 1   24    0    2 o  879.369   7.0012 49141.99  1105.38 49141.99  1105.38 49141.99  1105.38  879.369   9.9011  879.369   9.9011 -0.000000 0.000000 
1 1 1   24    0    3 o   79.050   5.4770  408.198   76.043  408.198   76.043  408.198   76.043   79.050   7.7456   79.050   7.7456 -0.000000 0.000000 
1 1 1   24    0    4 o  1308.15   10.218 108797.10  2399.88 108797.10  2399.88 108797.10  2399.88  1308.15   14.450  1308.15   14.450 -0.000000 0.000000 
1 1 1   24    0    5 o  1027.34   8.1106 67080.68  1496.03 67080.68  1496.03 67080.68  1496.03  1027.34   11.470  1027.34   11.470 -0.000000 0.000000 
1 1 1   24    0    6 o  450.564   4.0486 12898.36  327.490 12898.36  327.490 12898.36  327.490  450.564   5.7256  450.564   5.7256 -0.000000 0.000000 
1 1 1   24    0    7 o  754.718   6.1166 36194.36  828.812 36194.36  828.812 36194.36  828.812  754.718   8.6501  754.718   8.6501 -0.000000 0.000000 
1 1 1   24    0    8 o  1708.88   13.279 185806.91  4074.36 185806.91  4074.36 185806.91  4074.36  1708.88   18.780  1708.88   18.780 -0.000000 0.000000 
1 1 1   24    0    9 o  1393.02   10.867 123410.30  2718.03 123410.30  2718.03 123410.30  2718.03  1393.02   15.369  1393.02   15.369 -0.000000 0.000000 
1 1 1   24    0   10 o  1753.99   13.628 195835.00  4291.70 195835.00  4291.70 195835.00  4291.70  1753.99   19.273  1753.99   19.273 -0.000000 0.000000 
1 1 1   24    0   11 f  751.205   6.0681 35865.56  818.426 35865.56  818.426 35865.56  818.426  751.205   8.5816  751.205   8.5816 -0.000000 0.000000 
1 1 1   24    0   12 o  512.012   4.3953 16660.96  404.032 16660.96  404.032 16660.96  404.032  512.012   6.2159  512.012   6.2159 -0.000000 0.000000 
1 1 1   24    0   13 o  760.966   6.1460 36832.46  839.693 36832.46  839.693 36832.46  839.693  760.966   8.6917  760.966   8.6917 -0.000000 0.000000 
1 1 1   24    0   14 o  281.587   3.1592  5040.79  159.674  5040.79  159.674  5040.79  159.674  281.587   4.4678  281.587   4.4678 -0.000000 0.000000 
1 1 1   24    0   15 o  179.247   3.1563  2044.93  101.465  2044.93  101.465  2044.93  101.465  179.247   4.4637  179.247   4.4637 -0.000000 0.000000 
1 1 1   24    0   16 o   65.318   6.9838  289.509   76.384  289.509   76.384  289.509   76.384   65.318   9.8766   65.318   9.8766 -0.000000 0.000000 
1 1 1   24    0   17 o  259.044   3.1544  4267.37  146.653  4267.37  146.653  4267.37  146.653  259.044   4.4610  259.044   4.4610 -0.000000 0.000000 
1 1 1   24    0   18 o  200.250   3.2093  2552.06  115.285  2552.06  115.285  2552.06  115.285  200.250   4.5386  200.250   4.5386 -0.000000 0.000000 
1 1 1   24    0   19 o  484.074   4.2659 14909.10  370.738 14909.10  370.738 14909.10  370.738  484.074   6.0329  484.074   6.0329 -0.000000 0.000000 
1 1 1   24    0   20 o  288.849   3.3529  5307.98  173.827  5307.98  173.827  5307.98  173.827  288.849   4.7417  288.849   4.7417 -0.000000 0.000000 
1 1 1   24    0   21 o  537.960   4.7189 18430.86  455.761 18430.86  455.761 18430.86  455.761  537.960   6.6736  537.960   6.6736 -0.000000 0.000000 
1 1 1   24    0   22 o  861.357   6.9957 47427.46  1081.88 47427.46  1081.88 47427.46  1081.88  861.357   9.8935  861.357   9.8935 -0.000000 0.000000 
1 1 1   24    0   23 o  267.620   3.5618  4560.87  171.052  4560.87  171.052  4560.87  171.052  267.620   5.0371  267.620   5.0371 -0.000000 0.000000 
1 1 1   24    0   24 o   87.953   7.2232  515.087  110.083  515.087  110.083  515.087  110.083   87.953   10.215   87.953   10.215 -0.000000 0.000000 
1 1 1   24    0   25 o  369.386   3.7772  8698.01  250.458  8698.01  250.458  8698.01  250.458  369.386   5.3417  369.386   5.3417 -0.000000 0.000000 
1 1 1   24    0   26 o   71.369   9.3082  361.650  107.352  361.650  107.352  361.650  107.352   71.369   13.164   71.369   13.164 -0.000000 0.000000 
1 1 1   24    0   27 o  208.459   4.6180  2792.11  172.506  2792.11  172.506  2792.11  172.506  208.459   6.5309  208.459   6.5309 -0.000000 0.000000 
1 1 1   24    0   28 o   30.443   12.569   83.500  114.274   83.500  114.274   83.500  114.274   30.443   17.776   30.443   17.776 -0.000000 0.000000 
1 1 1   24    0   29 o   91.552   7.0554  568.807  112.510  568.807  112.510  568.807  112.510   91.552   9.9778   91.552   9.9778 -0.000000 0.000000 
1 1 1   24    2    0 o  375.430   3.5939  8951.78  171.342  9009.27  242.592  8894.55  242.037  376.633   5.0720  374.227   5.0930 2.406006 7.187739 
1 1 1   24    2    1 o  456.812   4.0356 13250.27  234.069 13456.22  334.960 13053.72  327.223  460.280   5.7305  453.344   5.6838 6.935211 8.071188 
1 1 1   24    2    2 o  508.581   4.3693 16429.19  282.198 16484.07  399.328 16374.43  398.848  509.430   6.1726  507.732   6.1858 1.697327 8.738696 
1 1 1   24    2    3 o  1099.45   8.6516 76795.66  1207.25 78463.73  1743.56 75259.44  1673.23  1110.90   12.359  1088.01   12.110 22.89136 17.30317 
1 1 1   24    2    4 o  749.434   6.0677 35686.24  577.478 35703.59  816.284 35668.86  817.070  749.616   8.5748  749.251   8.5873 0.3652954 12.13541 
1 1 1   24    2    5 o  1590.95   12.388 161059.41  2501.48 158066.20  3470.09 164297.41  3609.26  1575.61   17.343  1606.28   17.694 -30.66638 24.77568 
1 1 1   24    2    6 o  492.458   5.2850 15522.72  314.896 15798.75  391.829 15019.29  529.154  498.726   6.1867  486.190   8.5704 12.53629 10.57005 
1 1 1   24    2    7 o  228.665   3.2502  3319.05   94.279  3286.07  130.028  3355.62  136.899  227.469   4.5013  229.862   4.6898 -2.392685 6.500462 
1 1 1   24    2    8 o  1407.01   10.983 125958.40  1961.98 127712.80  2813.09 124296.80  2737.76  1416.52   15.638  1397.49   15.427 19.02783 21.96647 
1 1 1   24    2    9 o  726.810   5.8965 33530.89  543.829 34451.42  787.992 32693.68  751.486  736.319   8.4271  717.300   8.2498 19.01849 11.79300 
1 1 1   24    2   10 o  575.672   4.8271 21035.25  352.665 20539.75  488.218 21575.92  509.982  568.592   6.7614  582.751   6.8912 -14.15906 9.654254 
1 1 1   24    2   11 o  419.054   3.8064 11152.36  202.529 11341.60  289.817 10971.74  283.137  422.527   5.4012  415.581   5.3649 6.945221 7.612857 
1 1 1   24    2   12 o  181.569   3.1813  2092.66   73.300  2210.54  105.206  1981.46  102.182  186.535   4.4412  176.603   4.5562 9.932083 6.362648 
1 1 1   24    2   13 o  248.145   3.0428  3910.77   95.857  3986.52  137.661  3839.47  133.557  250.476   4.3278  245.815   4.2784 4.661057 6.085595 
1 1 1   24    2   14 o   77.527   5.7707  390.056   55.659  310.161   80.546  463.070   77.000   69.756   9.0926   85.298   7.1085 -15.54158 11.54144 
1 1 1   24    2   15 o   34.489   8.8230   52.224   52.558   5.8270   72.408  103.890   76.409   28.226   11.877   40.752   13.050 -12.52668 17.64600 
1 1 1   24    2   16 o  369.869   3.5581  8698.92  167.099  8728.12  238.691  8670.85  234.005  370.473   5.0734  369.265   4.9901 1.208496 7.116240 
1 1 1   24    2   17 o  397.775   3.7345 10036.95  188.307 10531.60  276.622  9609.77  257.065  406.872   5.3537  388.677   5.2081 18.19446 7.468975 
1 1 1   24    2   18 o  448.291   4.0279 12791.41  229.299 12692.15  322.942 12892.32  325.630  446.537   5.6949  450.044   5.6976 -3.506989 8.055746 
1 1 1   24    2   19 o  195.635   3.3814  2436.85   83.887  2399.64  121.402  2470.86  116.048  194.193   4.9229  197.077   4.6369 -2.884583 6.762758 
1 1 1   24    2   20 o  417.456   3.9001 11090.41  206.629 11364.25  298.768 10839.34  286.080  422.378   5.5700  412.534   5.4607 9.844330 7.800278 
1 1 1   24    2   21 o   24.388   8.2988 -163.2960   76.171 -203.6148  109.048 -124.8805  106.443   23.041   11.260   25.736   12.193 -2.695127 16.59752 
1 1 1   24    2   22 f  337.660   3.7122  7261.06  159.126  7077.24  221.624  7456.66  228.617  333.255   5.2368  342.065   5.2629 -8.810333 7.424369 
1 1 1   24    2   23 o  153.664   4.2882  1498.18   82.968  1796.61  122.308  1243.79  112.921  167.795   5.7398  139.533   6.3727 28.26198 8.576487 
1 1 1   24    2   24 o   51.810   10.690  181.658   75.014  160.679  107.039  201.907  105.159   49.246   15.407   54.374   14.822 -5.128498 21.37948 
1 1 1   24    2   25 o  127.621   4.8218  1046.16   78.035  975.669  109.682  1118.42  111.048  123.226   7.0090  132.016   6.6238 -8.790359 9.643658 
1 1 1   24    2   26 o  112.986   5.5560  825.623   79.582  760.424  110.377  896.211  114.849  108.299   8.0256  117.672   7.6855 -9.373161 11.11205 
1 1 1   24    2   28 o   26.950   8.9060 -80.3646   75.442 -69.0642  102.230 -93.8784  111.794   26.851   12.471   27.048   12.717 -0.1971226 17.81200 
1 1 1   24    2   29 o   57.127   13.354  267.747  121.176  143.830  176.242  378.846  166.878   46.763   18.989   67.490   18.782 -20.72617 26.70875 
1 1 1   24    4    0 o  1043.95   8.2431 69281.77  1092.82 69322.84  1545.39 69240.71  1545.58  1044.26   11.653  1043.64   11.662 0.6196289 16.48616 
1 1 1   24    4    1 o  1262.23   9.8879 101294.00  1584.45 102968.60  2276.36 99720.20  2206.76  1272.33   14.088  1252.13   13.878 20.19763 19.77586 
1 1 1   24    4    2 o  1108.24   12.380 78093.53  1742.26   0.0000   0.0000 78093.53  1742.26  ?   ?   1108.24   12.380      ?      ? 
1 1 1   24    4    3 o  755.532   8.6881 36270.49  833.598 36270.49  833.598   0.0000   0.0000  755.532   8.6881  ?   ?       ?      ? 
1 1 1   24    4    4 o  472.366   4.2680 14121.98  255.361 13509.22  346.371 14851.62  377.966  461.183   5.9141  483.548   6.1551 -22.36493 8.535925 
1 1 1   24    4    5 o  442.393   4.0957 12417.45  229.964 12829.83  332.236 12038.16  318.627  449.435   5.8211  435.350   5.7632 14.08575 8.191442 
1 1 1   24    4    6 o  1230.50   11.806 96787.61  1749.50 97646.47  2160.84 95153.26  2980.79  1238.98   13.733  1222.01   19.208 16.96777 23.61249 
1 1 1   24    4    7 o  631.795   6.4196 25247.81  482.326 25031.75  585.681 25703.18  850.256  627.704   7.3473  635.886   10.529 -8.182434 12.83922 
1 1 1   24    4    8 o  1770.80   13.782 199786.80  3097.63 196139.41  4296.92 203733.30  4469.60  1754.05   19.290  1787.54   19.690 -33.48438 27.56427 
1 1 1   24    4    9 o  704.275   5.7371 31515.60  513.067 31853.02  731.472 31188.82  719.839  707.983   8.1357  700.566   8.0911 7.417175 11.47417 
1 1 1   24    4   10 o  856.216   6.8459 46622.80  744.375 46751.77  1055.02 46494.95  1050.41  857.394   9.6895  855.038   9.6737 2.356018 13.69188 
1 1 1   24    4   11 o  147.837   3.4241  1389.31   64.250  1419.99   90.097  1357.56   91.650  149.501   4.7456  146.174   4.9373 3.326797 6.848150 
1 1 1   24    4   12 o  174.939   3.3090  1944.73   73.508  1971.89  104.237  1917.86  103.677  176.155   4.6596  173.724   4.6994 2.431168 6.617911 
1 1 1   24    4   13 o  440.827   3.9617 12327.44  221.465 11824.67  303.436 12900.55  323.968  431.238   5.5408  450.415   5.6638 -19.17722 7.923362 
1 1 1   24    4   14 o  611.464   5.0946 23798.88  395.548 24034.31  565.113 23572.75  553.837  614.419   7.2426  608.508   7.1670 5.911560 10.18925 
1 1 1   24    4   15 o  356.093   4.9772  8062.75  225.076  8062.75  225.076   0.0000   0.0000  356.093   4.9772  ?   ?       ?      ? 
1 1 1   24    4   16 o  509.480   5.4400 16287.67  325.699 15883.46  389.998 17219.43  592.122  499.543   6.1477  519.416   8.9767 -19.87350 10.88006 
1 1 1   24    4   17 o   60.540   7.2997  240.678   54.275  206.621   78.199  272.331   75.390   55.785   11.423   65.295   9.0920 -9.509853 14.59945 
1 1 1   24    4   18 o  622.203   5.2001 24689.46  410.860 24454.08  576.947 24931.65  585.229  619.201   7.3371  625.206   7.3710 -6.004150 10.40024 
1 1 1   24    4   19 o  169.430   4.5729  1754.35   89.699  2014.82  170.472  1654.63  105.481  177.641   7.5567  161.219   5.1521 16.42194 9.145885 
1 1 1   24    4   20 o   95.078   5.6801  589.179   67.133  465.745   97.076  702.319   92.939   85.268   8.9650  104.889   6.9774 -19.62154 11.36020 
1 1 1   24    4   22 o  218.517   3.5443  3030.79   98.138  2777.71  134.460  3319.31  143.564  208.783   5.0713  228.251   4.9529 -19.46744 7.088661 
1 1 1   24    4   23 o  417.886   3.9737 11136.81  210.757 11419.76  304.370 10876.18  292.118  422.963   5.6666  412.810   5.5723 10.15326 7.947340 
1 1 1   24    4   24 o  180.697   3.8374  2086.56   88.026  2112.58  123.306  2059.52  125.702  181.864   5.3390  179.530   5.5135 2.333633 7.674899 
1 1 1   24    4   25 o  268.127   3.4870  4596.81  118.698  4667.36  166.727  4524.31  169.025  270.240   4.8582  266.014   5.0034 4.225739 6.974024 
1 1 1   24    4   26 o  212.182   3.7310  2888.01  100.519  2908.93  143.579  2867.89  140.772  212.922   5.3100  211.442   5.2426 1.479630 7.461967 
1 1 1   24    4   27 o   32.015   10.852 -203.8610  123.635 -120.4905  190.908 -264.0853  162.258   36.021   16.834   28.009   13.698 8.011974 21.70337 
1 1 1   24    4   28 o  202.042   6.1025  2716.06  156.395  2686.18  225.819  2743.61  216.808  200.729   8.8588  203.356   8.3954 -2.627899 12.20493 
1 1 1   24    4   29 o   95.600   12.278  770.386  137.366  526.103  213.618  942.617  179.368   76.236   21.262  114.965   12.286 -38.72857 24.55672 
1 1 1   24    6    0 o  582.647   7.0228 21565.24  519.633 21565.24  519.633   0.0000   0.0000  582.647   7.0228  ?   ?       ?      ? 
1 1 1   24    6    1 o  1310.88   10.285 109062.40  1709.11 113574.70  2509.88 105161.00  2333.81  1336.05   14.793  1285.70   14.294 50.35278 20.57043 
1 1 1   24    6    2 o  826.847   13.314 43484.60  1398.05 43484.60  1398.05   0.0000   0.0000  826.847   13.314  ?   ?       ?      ? 
1 1 1   24    6    3 o  496.978   5.4206 15765.14  327.136 15437.68  547.076 15947.40  408.146  492.900   8.7400  501.056   6.4143 -8.155334 10.84118 
1 1 1   24    6    4 o  153.772   4.3128  1516.63   83.166  1616.12  111.524  1391.99  124.824  159.514   5.5055  148.030   6.6400 11.48373 8.625539 
1 1 1   24    6    5 o  700.709   7.0108 31415.35  592.893 31889.90  735.174 30532.54  1002.73  708.442   8.1716  692.976   11.394 15.46509 14.02158 
1 1 1   24    6    6 o  565.036   4.8044 20245.27  344.394 21118.07  501.041 19463.60  474.162  576.557   6.8431  553.516   6.7456 23.04132 9.608898 
1 1 1   24    6    7 o  1070.29   8.4466 72803.64  1147.28 71294.04  1587.75 74452.99  1659.62  1058.71   11.809  1081.87   12.080 -23.15784 16.89320 
1 1 1   24    6    8 o  525.068   4.5282 17503.74  301.746 17163.63  417.921 17874.13  436.129  519.748   6.3318  530.389   6.4750 -10.64081 9.056343 
1 1 1   24    6    9 o  305.129   3.3491  5920.88  129.637  6165.48  182.029  5669.13  184.670  311.535   4.6010  298.723   4.8680 12.81155 6.698271 
1 1 1   24    6   10 o  402.233   3.7791 10283.23  193.001 10330.73  270.713 10234.13  275.232  403.182   5.2873  401.284   5.4009 1.897186 7.558125 
1 1 1   24    6   11 o  213.649   3.2943  2898.37   88.751  2879.50  118.503  2922.48  133.937  212.869   4.3837  214.429   4.9186 -1.560654 6.588531 
1 1 1   24    6   12 o  255.612   3.1518  4145.65  102.217  3984.88  141.004  4323.72  148.393  250.399   4.4343  260.825   4.4801 -10.42595 6.303499 
1 1 1   24    6   13 o  115.701   4.0571  857.432   59.083  907.009   79.913  797.658   87.747  119.431   5.2689  111.970   6.1709 7.460693 8.114292 
1 1 1   24    6   14 o  196.640   3.1716  2455.64   79.064  2418.46  108.317  2498.05  115.673  195.054   4.3728  198.226   4.5951 -3.172104 6.343232 
1 1 1   24    6   15 o  232.360   3.1689  3433.55   93.483  3510.89  131.876  3355.44  132.538  234.995   4.4191  229.725   4.5431 5.269485 6.337810 
1 1 1   24    6   16 o  283.624   3.2443  5114.86  116.843  5187.97  166.446  5043.83  164.061  285.621   4.5889  281.626   4.5873 3.995453 6.488518 
1 1 1   24    6   17 o  278.635   3.2484  4939.00  114.925  4984.04  161.616  4892.94  163.457  279.926   4.5464  277.345   4.6409 2.580200 6.496746 
1 1 1   24    6   18 o  510.849   4.4593 16634.04  289.290 16674.43  410.001 16594.00  408.239  511.465   6.3124  510.234   6.3004 1.231354 8.918565 
1 1 1   24    6   19 o  241.100   3.2684  3700.85  100.000  3736.02  139.213  3663.35  143.737  242.295   4.5244  239.904   4.7180 2.391327 6.536736 
1 1 1   24    6   21 o  356.472   3.6595  8088.52  165.562  8381.32  239.295  7819.66  229.304  362.647   5.1960  350.296   5.1547 12.35159 7.319097 
1 1 1   24    6   22 o  337.428   3.6029  7256.91  154.360  7122.65  215.785  7397.61  220.901  334.236   5.0838  340.620   5.1068 -6.383759 7.205875 
1 1 1   24    6   23 o  131.562   4.3459  1101.85   72.420  1005.53   98.774  1213.81  106.494  125.366   6.2042  137.758   6.0874 -12.39288 8.691875 
1 1 1   24    6   24 o  330.748   3.5902  6991.10  150.776  7159.07  214.619  6827.42  211.866  334.682   5.0496  326.814   5.1048 7.867676 7.180398 
1 1 1   24    6   25 o  127.782   5.8847  1011.48   82.995  963.375   95.092  1165.29  170.038  122.390   6.1181  133.174   10.054 -10.78428 11.76940 
1 1 1   24    6   26 o  301.329   5.7780  5937.13  221.018  5717.27  310.624  6162.58  314.546  295.567   8.2756  307.091   8.0657 -11.52393 11.55599 
1 1 1   24    6   27 o   40.310   11.337 -30.6522  113.063 -343.4808  168.912  223.277  152.182   26.532   13.163   54.088   18.462 -27.55613 22.67426 
1 1 1   24    6   28 o   80.617   12.264  558.710  125.208  325.453  196.197  718.981  162.631   60.782   20.955  100.451   12.749 -39.66840 24.52876 
1 1 1   24    8    0 o  690.493   5.7610 30298.87  505.090 30584.00  710.442 30007.46  718.232  693.783   8.0636  687.203   8.2300 6.580200 11.52192 
1 1 1   24    8    1 o  1059.15   8.3949 71325.38  1128.92 70713.29  1578.36 71966.49  1615.35  1054.51   11.786  1063.79   11.957 -9.279907 16.78973 
1 1 1   24    8    2 o  584.568   6.9983 21709.96  519.526 21709.96  519.526   0.0000   0.0000  584.568   6.9983  ?   ?       ?      ? 
1 1 1   24    8    3 o  241.839   3.7403  3684.93  113.462  3534.28  147.946  3900.09  176.802  235.891   4.9387  247.788   5.6186 -11.89650 7.480613 
1 1 1   24    8    4 o  113.735   6.8392  821.103   97.655  831.125  150.285  813.779  128.475  114.324   10.351  113.146   8.9413 1.178062 13.67839 
1 1 1   24    8    5 o  390.893   3.9151  9689.68  193.141  9556.01  258.283  9859.25  290.901  387.851   5.2439  393.936   5.8149 -6.085022 7.830172 
1 1 1   24    8    6 o  547.033   4.7416 19022.21  329.261 19124.18  459.811 18914.89  471.707  548.546   6.6007  545.520   6.8090 3.026184 9.483235 
1 1 1   24    8    7 o  327.078   3.6372  6819.45  150.414  7073.06  205.727  6528.17  220.474  333.646   4.8554  320.510   5.4167 13.13528 7.274345 
1 1 1   24    8    8 o  604.246   5.1002 23228.78  391.325 23375.38  550.563 23079.09  556.317  606.182   7.1520  602.309   7.2732 3.872986 10.20049 
1 1 1   24    8    9 o  197.750   3.5519  2453.84   87.748  2319.69  112.998  2657.61  139.267  191.045   4.6576  204.456   5.3638 -13.41081 7.103741 
1 1 1   24    8   10 o  369.613   3.6857  8671.17  172.463  8509.85  233.871  8863.47  255.340  365.867   5.0336  373.359   5.3854 -7.491516 7.371493 
1 1 1   24    8   11 o  349.719   3.5763  7704.07  157.531  7250.21  207.570  8320.57  241.917  337.704   4.8401  361.733   5.2662 -24.02945 7.152590 
1 1 1   24    8   12 o  377.701   3.6931  9067.30  176.829  8990.16  242.490  9154.90  258.416  376.002   5.0784  379.400   5.3635 -3.397247 7.386242 
1 1 1   24    8   13 o  353.420   3.6274  7944.95  162.460  7954.51  222.709  7934.09  237.512  353.667   4.9587  353.174   5.2956 0.4929504 7.254810 
1 1 1   24    8   14 o  375.721   3.7167  8977.74  177.029  8928.28  242.967  9033.71  258.464  374.639   5.1069  376.804   5.4014 -2.164734 7.433407 
1 1 1   24    8   15 o  435.491   3.9965 12063.74  220.796 11890.29  304.513 12256.01  320.613  432.213   5.5479  438.769   5.7540 -6.556610 7.992976 
1 1 1   24    8   16 o  392.914   3.7817  9829.67  188.640  9920.39  264.365  9735.55  269.258  394.775   5.2732  391.052   5.4219 3.722839 7.563357 
1 1 1   24    8   17 o  247.025   3.3207  3855.85  103.284  3685.75  136.175  4086.24  158.480  240.684   4.4552  253.367   4.9255 -12.68208 6.641477 
1 1 1   24    8   18 o  152.226   3.9671  1520.47   74.434  1780.58  100.246  1200.84  111.126  167.247   4.7199  137.205   6.3777 30.04230 7.934257 
1 1 1   24    8   19 o  145.834   7.0811  1359.06  131.141   0.0000   0.0000  1359.06  131.141  ?   ?   145.834   7.0811      ?      ? 
1 1 1   24    8   20 o  236.113   3.3296  3561.26   99.137  3646.08  133.479  3456.92  148.051  239.305   4.3922  232.921   5.0053 6.384445 6.659151 
1 1 1   24    8   21 o  268.716   3.4792  4613.69  118.403  4780.63  163.450  4429.35  171.752  273.889   4.6993  263.542   5.1318 10.34705 6.958385 
1 1 1   24    8   22 o   49.872   9.0988  132.080   51.744   94.644   58.698  262.598  109.601   37.865   11.327   61.880   14.243 -24.01478 18.19770 
1 1 1   24    8   23 f   79.769   9.4626  539.241   61.015  585.843   66.475  290.032  153.724   95.676   5.4712   63.863   18.117 31.81278 18.92511 
1 1 1   24    8   24 o  226.511   5.7863  3317.48  165.861  2959.07  226.573  3731.32  243.463  213.278   8.3653  239.745   7.9966 -26.46635 11.57259 
1 1 1   24    8   25 o  265.403   6.0621  4623.44  204.094  4378.78  288.501  4868.53  288.763  258.142   8.8006  272.665   8.3394 -14.52280 12.12419 
1 1 1   24    8   26 o   77.882   12.536  467.941  121.186  456.691  169.617  479.672  173.203   76.896   17.732   78.869   17.725 -1.973602 25.07171 
1 1 1   24    8   27 o  133.636   7.9882  1249.09  134.454  1136.37  195.894  1349.50  184.878  126.995   12.147  140.277   10.378 -13.28223 15.97641 
1 1 1   24   10    0 o  306.391   4.2527  6061.11  159.453  6352.75  203.020  5591.56  257.605  316.205   5.0558  296.578   6.8397 19.62677 8.505474 
1 1 1   24   10    1 o  238.846   3.7281  3584.07   99.904  3538.65  116.237  3712.48  195.447  236.024   3.8780  241.668   6.3684 -5.643799 7.456271 
1 1 1   24   10    2 o  511.240   5.1572 16358.66  284.892 16126.48  325.126 17126.44  591.241  503.763   5.0822  518.716   8.9755 -14.95374 10.31442 
1 1 1   24   10    3 o  183.621   4.0544  2140.94   81.023  2138.72   93.066  2147.88  164.681  183.478   3.9942  183.765   7.0567 -0.2863007 8.108703 
1 1 1   24   10    4 o  342.626   4.0717  7490.16  153.152  7516.71  176.858  7410.58  306.234  343.955   4.0490  341.297   7.0655 2.657928 8.143431 
1 1 1   24   10    5 o   48.929   10.021  142.374   56.329  132.984   63.094  179.258  125.045   44.770   11.142   53.088   16.660 -8.318314 20.04208 
1 1 1   24   10    6 o  584.764   5.6501 22408.81  376.336 23277.17  447.911 20324.22  693.993  604.992   5.8300  564.536   9.6802 40.45569 11.30024 
1 1 1   24   10    7 o  518.995   5.5616 17015.18  341.012 16778.66  411.194 17536.21  610.292  513.547   6.3051  524.442   9.1635 -10.89569 11.12311 
1 1 1   24   10    8 o  210.831   4.1340  2764.41  101.993  2670.49  121.460  2989.01  187.829  204.962   4.6664  216.700   6.8254 -11.73796 8.268078 
1 1 1   24   10    9 o  320.339   4.2063  6625.10  161.642  6836.41  200.079  6228.01  274.278  327.912   4.8047  312.765   6.9055 15.14728 8.412545 
1 1 1   24   10   10 o  105.998   6.0519  744.759   70.954  776.962   83.164  658.603  136.029  110.499   5.9265  101.497   10.554 9.001358 12.10374 
1 1 1   24   10   11 o   86.720   6.3974  446.942   63.555  408.152   73.817  558.083  124.949   80.034   7.2628   93.406   10.534 -13.37200 12.79484 
1 1 1   24   10   12 o  171.317   4.3526  1864.06   85.146  1858.07  100.365  1879.43  160.830  170.930   4.6237  171.703   7.3758 -0.7729340 8.705224 
1 1 1   24   10   13 o  229.645   3.9059  3453.56   90.543  3519.42  101.536  3197.84  200.069  235.320   3.3977  223.969   7.0342 11.35144 7.811798 
1 1 1   24   10   14 o  216.018   3.9425  2899.37   82.607  2860.95   90.795  3084.03  199.054  212.157   3.3700  219.879   7.1287 -7.722534 7.885099 
1 1 1   24   10   15 o  547.837   5.4696 19383.15  330.850 19604.87  384.073 18745.33  651.429  554.816   5.4511  540.858   9.4843 13.95807 10.93926 
1 1 1   24   10   16 o  368.795   4.3224  8441.75  166.059  8275.33  186.471  9079.52  365.033  360.674   4.0712  376.916   7.6262 -16.24142 8.644882 
1 1 1   24   10   17 o  405.508   4.7198 10306.42  198.975 10166.87  223.605 10837.25  436.106  399.665   4.4056  411.351   8.3484 -11.68597 9.439524 
1 1 1   24   10   18 o  134.857   10.467  1171.97  179.261   0.0000   0.0000  1171.97  179.261  ?   ?   134.857   10.467      ?      ? 
1 1 1   24   10   19 f   56.357   13.588  198.878  118.088  246.607  165.826  149.772  168.201   60.708   19.203   52.007   19.231 8.701740 27.17671 
1 1 1   24   10   20 o  123.706   8.9326  1019.09  137.106  891.054  208.885  1116.01  181.732  116.296   14.144  131.115   10.914 -14.81908 17.86530 
1 1 1   24   10   21 o  140.413   8.0284  1288.75  141.885  1295.63  215.551  1283.48  188.475  140.472   12.083  140.355   10.574 0.1171112 16.05675 
1 1 1   24   10   22 o  112.865   9.2404  851.196  132.276  891.410  186.167  810.194  187.979  115.726   12.668  110.004   13.456 5.722412 18.48081 
1 1 1   24   10   23 o   49.185   13.970  121.647  134.065  155.799  188.258   86.505  190.964   51.439   20.027   46.930   19.484 4.509361 27.94094 
1 1 1   24   10   24 o   31.769   10.917 -267.8623  138.514 -227.7632  182.730 -322.0251  212.370   31.450   15.184   32.087   15.688 -0.6368389 21.83307 
1 1 1   24   10   25 o   53.851   20.099  221.919  184.567   0.0000   0.0000  221.919  184.567  ?   ?    53.851   20.099      ?      ? 
1 1 1   24   12    0 o  219.326   3.8751  2974.10   95.852  2879.55  111.377  3244.12  188.217  212.864   4.1202  225.789   6.5642 -12.92453 7.750111 
1 1 1   24   12    1 o  190.704   3.9588  2201.91   84.738  2086.02   97.770  2551.77  169.878  181.169   4.2496  200.239   6.6805 -19.06976 7.917597 
1 1 1   24   12    2 o  536.755   5.3384 18418.45  317.702 18492.69  368.827 18204.97  625.458  539.255   5.3858  534.255   9.2187 4.999084 10.67671 
1 1 1   24   12    3 o   62.311   8.6811  231.196   60.844  196.894   71.081  325.218  117.683   54.595   10.635   70.028   13.724 -15.43288 17.36212 
1 1 1   24   12    4 o  200.385   4.0586  2549.17   96.219  2540.05  116.445  2568.79  170.836  199.889   4.5873  200.882   6.6967 -0.9926910 8.117201 
1 1 1   24   12    5 o  203.329   3.8871  2612.28   86.493  2595.42   99.482  2664.49  175.070  202.086   3.8764  204.572   6.7389 -2.486603 7.774252 
1 1 1   24   12    6 o  310.103   3.9803  6195.06  135.365  6272.84  156.613  5965.31  269.156  314.158   3.9256  306.048   6.9253 8.110443 7.960507 
1 1 1   24   12    7 o   97.810   6.0476  609.464   62.252  608.725   70.493  612.082  132.673   97.808   5.6754   97.812   10.681 -0.4348755E-02 12.09525 
1 1 1   24   12    8 o  331.912   4.0497  6969.70  145.261  6932.38  166.146  7090.77  299.268  330.237   3.9617  333.586   7.0644 -3.348602 8.099440 
1 1 1   24   12    9 o  155.866   4.3363  1543.97   69.532  1541.83   78.060  1552.19  152.984  155.736   3.9470  155.997   7.7224 -0.2614594 8.672612 
1 1 1   24   12   10 o   56.965   9.5471  177.785   51.385  161.518   55.335  279.678  138.491   49.494   9.1405   64.437   16.764 -14.94284 19.09429 
1 1 1   24   12   11 o   67.337   8.5991  335.960   51.332  354.654   56.230  242.455  125.759   74.616   5.9341   60.057   16.142 14.55885 17.19820 
1 1 1   24   12   12 o  107.665   5.9843  718.647   56.670  710.110   60.932  773.346  154.244  105.643   4.5418  109.687   11.073 -4.043976 11.96851 
1 1 1   24   12   13 o  240.550   3.9617  3837.16   99.746  3961.96  113.721  3420.93  207.678  249.618   3.5875  231.481   7.0647 18.13658 7.923405 
1 1 1   24   12   14 o  201.002   4.5809  2672.92   87.677  2724.44   96.705  2435.03  207.811  206.976   3.6792  195.027   8.3907 11.94901 9.161846 
1 1 1   24   12   15 o   21.972   7.8015 -83.8597   45.924 -60.0598   47.667 -391.6175  171.410   17.018   8.0911   26.926   13.341 -9.907583 15.60303 
1 1 1   24   12   16 o   98.782   10.324  652.013  122.712  843.215  176.907  474.700  170.361  114.050   12.214   83.515   16.647 30.53447 20.64757 
1 1 1   24   12   17 o   72.390   13.224  368.406  126.303  246.714  183.141  478.780  174.416   61.218   20.247   83.561   17.015 -22.34298 26.44706 
1 1 1   24   12   18 o  220.818   5.6148  3138.23  156.837  3073.53  230.868  3193.68  213.725  218.573   8.3174  223.062   7.5449 -4.488831 11.22963 
1 1 1   24   12   19 o  195.378   6.2296  2472.61  154.046  2398.69  225.212  2537.60  211.172  192.465   9.2143  198.290   8.3860 -5.825562 12.45910 
1 1 1   24   12   20 f  141.823   8.3097  1368.80  142.926  931.171  204.043  1790.37  200.265  117.921   13.626  165.725   9.5157 -47.80370 16.61934 
1 1 1   24   12   21 o  111.203   14.093  843.875  199.023   0.0000   0.0000  843.875  199.023  ?   ?   111.203   14.093      ?      ? 
1 1 1   24   14    0 o   76.525   8.7855  398.555   73.155  419.062   86.564  347.312  136.837   81.034   8.4119   72.017   15.427 9.016220 17.57102 
1 1 1   24   14    1 o   80.712   7.7359  399.626   75.007  366.503   90.672  471.432  133.500   75.728   9.4284   85.696   12.267 -9.967377 15.47182 
1 1 1   24   14    2 o  381.060   4.3596  9376.74  187.003  9533.78  219.640  8962.97  356.528  387.198   4.4668  374.921   7.4882 12.27719 8.719260 
1 1 1   24   14    3 o  263.577   4.1214  4522.38  122.128  4643.79  143.732  4207.08  231.621  270.251   4.1880  256.903   7.0996 13.34808 8.242782 
1 1 1   24   14    4 o  410.129   4.5583 10703.24  207.071 10689.58  239.949 10743.08  409.847  409.953   4.6090  410.305   7.8657 -0.3519592 9.116608 
1 1 1   24   14    5 o  384.031   4.4056  9226.15  185.136  9066.75  212.400  9730.22  377.717  377.564   4.4298  390.498   7.6168 -12.93433 8.811257 
1 1 1   24   14    6 f   52.882   10.389  204.895   70.077  238.947   79.656   88.315  147.388   60.136   10.829   45.629   17.733 14.50650 20.77774 
1 1 1   24   14    7 o  133.285   5.3590  1128.78   76.979  1123.93   87.978  1144.63  158.996  132.870   5.2140  133.700   9.3643 -0.8300171 10.71801 
1 1 1   24   14    8 o  287.883   3.9919  5160.91  125.167  5052.83  143.157  5511.70  257.903  281.862   3.9994  293.904   6.9099 -12.04221 7.983888 
1 1 1   24   14    9 o  267.883   4.1205  4555.43  116.542  4541.05  132.068  4606.02  247.738  267.206   3.8920  268.561   7.2639 -1.355164 8.240917 
1 1 1   24   14   10 o   26.810   13.172 -272.4362   60.111 -265.5367   65.189 -311.6179  155.349  ?   ?    26.810   13.172      ?      ? 
1 1 1   24   14   11 o  352.108   4.6164  6817.75  171.076  6083.84  189.842  9989.14  394.635  309.092   4.8365  395.124   7.8647 -86.03259 9.232847 
1 1 1   24   14   12 o  281.791   4.2406  5074.31  124.718  5080.69  140.864  5051.14  268.286  282.583   3.9253  280.999   7.5182 1.584198 8.481285 
1 1 1   24   14   13 o  184.659   4.6612  2050.87   78.840  1997.55   85.207  2368.10  207.845  177.187   3.7868  192.130   8.5186 -14.94254 9.322323 
1 1 1   24   14   14 o   99.998   7.2826  647.946   53.821  648.504   56.574  642.626  174.665  100.904   4.4150   99.093   13.880 1.811424 14.56515 
1 1 1   24   14   15 o  148.147   7.0457  1416.68  132.399  1514.68  191.466  1326.88  183.284  153.078   9.8492  143.215   10.078 9.863113 14.09130 
1 1 1   24   14   16 o   70.995   13.042  364.625  126.975  186.076  187.738  515.162  172.383   55.587   20.356   86.402   16.308 -30.81528 26.08319 
1 1 1   24   14   17 o   98.822   10.539  686.558  123.613  510.138  182.639  835.686  167.918   84.960   17.510  112.684   11.734 -27.72420 21.07837 
1 1 1   24   16    0 o  219.111   4.3473  3066.21  109.461  3073.36  129.758  3048.58  203.836  219.747   4.6498  218.475   7.3468 1.271301 8.694642 
1 1 1   24   16    1 o   48.916   11.464  115.598   80.449   59.739   96.100  246.430  147.074   37.170   14.354   60.662   17.878 -23.49208 22.92723 
1 1 1   24   16    2 o  220.962   4.8309  2981.36  128.851  2712.91  156.407  3548.37  227.311  206.290   5.9704  235.635   7.5963 -29.34502 9.661753 
1 1 1   24   16    3 o  169.681   6.0211  2024.45  113.125  2289.15  136.504  1444.03  202.135  189.524   5.6716  149.838   10.623 39.68607 12.04213 
1 1 1   24   16    4 o  111.883   7.4685  705.315   96.965  577.772  112.606  1071.16  190.712   94.905   9.3431  128.860   11.654 -33.95483 14.93701 
1 1 1   24   16    5 o  533.593   5.9882 17933.54  380.122 17391.33  459.617 19107.18  676.204  521.810   6.9360  545.376   9.7635 -23.56549 11.97634 
1 1 1   24   16    6 o  108.238   7.5725  750.822   94.249  745.309  111.575  764.554  176.093  107.881   8.1441  108.595   12.769 -0.7144165 15.14503 
1 1 1   24   16    7 o  181.191   5.4695  2156.89  113.340  2235.95  135.215  1970.10  207.836  187.251   5.6862  175.130   9.3451 12.12085 10.93906 
1 1 1   24   16    8 o  196.161   4.6899  2341.94   98.655  2247.78  111.591  2678.89  211.103  187.863   4.6775  204.460   8.1303 -16.59714 9.379825 
1 1 1   24   16    9 f  123.012   6.4667  943.522   82.036  923.244   91.786  1024.05  182.905  120.258   6.0101  125.767   11.452 -5.508690 12.93332 
1 1 1   24   16   10 f  146.896   5.7362  1404.28   81.812  1415.34   90.460  1354.56  191.740  149.020   4.7801  144.771   10.429 4.248627 11.47247 
1 1 1   24   16   11 o   61.092   10.839  215.606   67.451  193.068   73.863  328.780  165.515   53.569   11.217   68.614   18.551 -15.04467 21.67857 
1 1 1   24   16   12 o   44.454   10.413  135.274   59.790  154.596   63.703  -7.6445  173.252   47.864   10.744   41.044   17.840 6.820545 20.82551 
1 1 1   24   16   13 o  146.999   5.1768  1309.24   71.145  1272.77   77.248  1513.11  182.628  141.262   4.3061  152.736   9.4156 -11.47353 10.35357 
1 1 1   24   16   14 o  205.119   3.7581  2682.35   97.892  2682.35   97.892   0.0000   0.0000  205.119   3.7581  ?   ?       ?      ? 
1 1 1   24   18    0 o   94.209   10.853  566.132  123.545  414.407  158.402  801.766  197.403   77.767   16.548  110.651   14.048 -32.88399 21.70657 
1 1 1   24   18    1 o  102.559   8.8564  678.899   98.720  673.308  113.286  696.544  201.250  102.346   8.7162  102.772   15.420 -0.4263382 17.71282 
1 1 1   24   18    2 o   81.091   10.597  426.031   96.161  407.222  112.791  476.082  183.992   79.253   11.207   82.929   17.988 -3.676781 21.19374 
1 1 1   24   18    3 o  322.915   4.4651  6726.95  164.867  6807.04  195.316  6528.46  307.487  326.786   4.7065  319.043   7.5893 7.742706 8.930165 
1 1 1   24   18    4 o  241.564   4.5961  3765.97  126.139  3806.57  148.792  3662.26  237.825  244.326   4.7955  238.803   7.8423 5.523239 9.192261 
1 1 1   24   18    5 o  143.809   6.1569  1331.59   98.030  1330.55  113.665  1334.60  193.680  144.216   6.2063  143.402   10.635 0.8135529 12.31377 
1 1 1   24   18    6 o  120.422   7.0437  952.558   92.608  965.338  107.070  914.602  184.521  122.693   6.8718  118.152   12.298 4.540909 14.08748 
1 1 1   24   18    7 o  186.053   4.9935  2224.27  103.211  2225.43  119.901  2220.96  202.797  186.662   5.0581  185.445   8.6113 1.217010 9.986937 
1 1 1   24   18    8 o  248.904   4.6914  3986.98  137.229  4002.06  165.536  3953.83  245.380  250.189   5.2101  247.619   7.8033 2.569641 9.382783 
1 1 1   24   18    9 o  256.343   4.9830  4202.16  162.214  4202.16  162.214   0.0000   0.0000  256.343   4.9830  ?   ?       ?      ? 
1 1 1   24   18   10 o   92.569   8.6336  557.315  101.492  557.315  101.492   0.0000   0.0000   92.569   8.6336  ?   ?       ?      ? 
1 1 1   24   18   11 o  126.527   6.1063  1030.70   98.117  1030.70   98.117   0.0000   0.0000  126.527   6.1063  ?   ?       ?      ? 
1 1 1   24   20    0 o   73.814   13.108  435.684  113.785  478.718  127.884  272.162  249.285   84.820   11.873   62.808   23.375 22.01195 26.21695 
1 1 1   24   20    1 o   59.044   12.762  254.515   97.235  268.886  110.701  205.989  203.421   61.756   14.383   56.332   21.085 5.423397 25.52400 
1 1 1   24   20    2 o   37.418   11.906 -42.3617   97.532 -66.0697  110.275   42.799  209.002   28.768   13.214   46.069   19.808 -17.30091 23.81145 
1 1 1   24   20    3 o   66.476   12.270  377.246  115.102  470.946  130.993   59.824  241.100   83.715   12.322   49.238   21.223 34.47765 24.54060 
1 1 1   24   20    4 o   26.234   12.628 -165.8334  124.147 -165.8334  124.147   0.0000   0.0000   26.234   12.628  ?   ?       ?      ? 
1 1 1   24   20    5 o  127.966   9.1262  1077.18  148.308  1077.18  148.308   0.0000   0.0000  127.966   9.1262  ?   ?       ?      ? 
1 1 1   24   20    6 o  195.332   6.7490  2473.55  167.414  2473.55  167.414   0.0000   0.0000  195.332   6.7490  ?   ?       ?      ? 
1 1 1   24   20    7 o  ?   ?  -477.3930  125.478 -477.3930  125.478   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   24   20    8 o   33.307   14.697  -6.9893  121.591  -6.9893  121.591   0.0000   0.0000   33.307   14.697  ?   ?       ?      ? 
1 1 1   24   22    0 o   58.091   18.319  277.123  150.999  277.123  150.999   0.0000   0.0000   58.091   18.319  ?   ?       ?      ? 
1 1 1   24   22    1 o   31.664   14.722 -71.0024  143.066 -71.0024  143.066   0.0000   0.0000   31.664   14.722  ?   ?       ?      ? 
1 1 1   24   22    2 o   44.757   17.018  142.566  133.691  142.566  133.691   0.0000   0.0000   44.757   17.018  ?   ?       ?      ? 
1 1 1   25    1    0 o  114.548   4.2156  833.641   61.305  854.299   86.511  812.802   86.888  115.975   5.8740  113.122   6.0483 2.852791 8.431216 
1 1 1   25    1    1 o  578.766   4.8585 21268.28  356.975 21646.72  512.893 20912.72  497.153  583.755   6.9186  573.776   6.8229 9.979065 9.716965 
1 1 1   25    1    2 o  1271.15   9.9479 102764.30  1605.73 101997.30  2254.34 103554.10  2287.71  1266.34   14.018  1275.95   14.118 -9.612305 19.89576 
1 1 1   25    1    3 o  738.712   6.0056 34672.14  563.392 34699.04  796.446 34645.20  797.067  738.999   8.4866  738.425   8.4998 0.5742188 12.01124 
1 1 1   25    1    4 o  759.186   6.1363 36621.73  591.602 36553.45  834.419 36690.76  838.901  758.475   8.6629  759.896   8.6932 -1.421448 12.27265 
1 1 1   25    1    5 o  396.922   5.3896 10006.26  271.667 10006.26  271.667   0.0000   0.0000  396.922   5.3896  ?   ?       ?      ? 
1 1 1   25    1    6 o  280.281   3.4303  4990.30  122.066  5097.06  172.211  4882.50  173.048  283.295   4.7868  277.266   4.9146 6.028442 6.860536 
1 1 1   25    1    7 o  1795.92   19.745 205564.30  4503.20 205564.30  4503.20   0.0000   0.0000  1795.92   19.745  ?   ?       ?      ? 
1 1 1   25    1    8 o  774.596   6.2433 38117.58  614.006 37639.33  857.546 38620.68  879.543  769.616   8.7742  779.577   8.8842 -9.960571 12.48662 
1 1 1   25    1    9 o  631.131   6.3880 25339.73  483.729 25242.93  833.410 25388.91  594.031  630.124   10.415  632.138   7.3998 -2.014099 12.77603 
1 1 1   25    1   10 o  1481.46   11.565 139862.00  2175.23 141707.09  3115.90 138107.91  3038.04  1490.95   16.457  1471.96   16.252 18.98401 23.12932 
1 1 1   25    1   11 o  790.052   6.3585 39679.21  637.664 40481.62  918.812 38933.61  885.685  797.741   9.0696  782.363   8.9144 15.37732 12.71708 
1 1 1   25    1   12 o  134.605   3.5906  1154.38   61.200  1242.42   85.965  1063.91   87.148  139.827   4.8412  129.383   5.3040 10.44446 7.181148 
1 1 1   25    1   13 o  304.971   3.2527  5893.41  125.772  6236.75  184.305  5594.17  172.062  313.258   4.6329  296.685   4.5668 16.57239 6.505369 
1 1 1   25    1   14 o  464.333   4.1031 13712.53  241.938 13682.85  340.520 13742.79  343.807  463.828   5.7811  464.837   5.8242 -1.009155 8.206218 
1 1 1   25    1   15 o  315.892   3.2979  6338.41  132.226  6499.46  190.886  6189.85  183.335  319.743   4.7011  312.040   4.6265 7.702515 6.595817 
1 1 1   25    1   16 o  214.385   3.1914  2918.01   86.759  2703.05  120.474  3149.59  125.047  206.190   4.6010  222.581   4.4239 -16.39133 6.382779 
1 1 1   25    1   17 o  334.450   3.4088  7113.62  144.773  7031.24  203.844  7197.46  205.648  332.496   4.8276  336.405   4.8138 -3.908600 6.817501 
1 1 1   25    1   18 o  386.311   3.6807  9496.41  180.567  9434.42  254.611  9559.13  256.116  385.043   5.2070  387.580   5.2035 -2.537018 7.361377 
1 1 1   25    1   19 o  300.103   3.3697  5731.31  128.410  5669.85  182.055  5792.17  181.147  298.497   4.8027  301.710   4.7278 -3.212769 6.739314 
1 1 1   25    1   20 o  533.243   4.6341 18138.29  313.803 18210.23  446.058 18067.80  441.544  534.282   6.5742  532.204   6.5331 2.078186 9.268296 
1 1 1   25    1   21 o  611.997   7.4812 23942.60  581.430 23942.60  581.430   0.0000   0.0000  611.997   7.4812  ?   ?       ?      ? 
1 1 1   25    1   22 o  280.285   3.5302  5005.19  125.651  5001.22  178.050  5009.14  177.348  280.172   5.0043  280.398   4.9805 -0.2264099 7.060304 
1 1 1   25    1   23 o  267.590   3.5320  4564.42  120.015  4531.51  168.513  4598.30  170.966  266.615   4.9770  268.565   5.0128 -1.950165 7.063951 
1 1 1   25    1   24 o  338.789   3.6552  7325.30  157.242  7454.17  224.457  7201.09  220.348  341.713   5.1724  335.864   5.1662 5.848755 7.310474 
1 1 1   25    1   25 o  161.038   4.2490  1663.78   86.824  1712.90  121.678  1612.83  123.929  163.499   5.8603  158.577   6.1540 4.921707 8.497911 
1 1 1   25    1   26 o   50.387   10.278  170.051   78.989  286.554  109.509   43.704  114.042   63.919   13.888   36.854   15.155 27.06557 20.55600 
1 1 1   25    1   27 o   20.379   7.3082 -467.1680   96.766 -437.3028  131.593 -502.3297  142.786   20.210   10.236   20.548   10.434 -0.3387032 14.61643 
1 1 1   25    1   28 o   57.242   10.193  247.932   78.452  346.555  108.820  141.200  113.206   69.636   12.776   44.848   15.885 24.78805 20.38579 
1 1 1   25    1   29 o  139.504   7.4056  1334.97  130.378  1422.63  197.780  1267.59  173.385  143.078   10.885  135.931   10.044 7.147049 14.81116 
1 1 1   25    3    0 o  165.770   4.0992  1745.65   86.223  1752.51  119.653  1738.24  124.358  166.110   5.6722  165.430   5.9195 0.6798248 8.198395 
1 1 1   25    3    1 o  1331.60   10.414 112691.30  1759.59 115584.50  2550.65 110064.10  2430.57  1347.86   14.901  1315.34   14.551 32.52039 20.82756 
1 1 1   25    3    2 o  1135.81   8.9358 82026.26  1288.78 81369.61  1808.03 82704.55  1837.56  1131.20   12.586  1140.43   12.688 -9.228027 17.87161 
1 1 1   25    3    3 o  1403.50   10.959 125343.40  1953.19 125722.30  2769.87 124968.60  2754.66  1405.60   15.517  1401.39   15.479 4.211914 21.91747 
1 1 1   25    3    5 o  645.127   6.5825 26304.62  505.566 26860.14  889.945 26039.91  614.320  650.038   10.781  640.217   7.5560 9.820801 13.16495 
1 1 1   25    3    6 o  1248.26   9.7786 99117.56  1550.09 98897.03  2186.85 99340.24  2197.50  1246.87   13.811  1249.65   13.847 -2.784912 19.55723 
1 1 1   25    3    7 o  1606.44   12.507 164352.30  2551.03 162666.70  3569.91 166111.20  3646.72  1598.05   17.591  1614.83   17.783 -16.77515 25.01334 
1 1 1   25    3    8 f  1329.44   10.397 112444.80  1754.76 110754.00  2444.05 114243.60  2520.96  1319.15   14.589  1339.72   14.817 -20.57117 20.79440 
1 1 1   25    3    9 o  465.468   4.1055 13761.21  242.662 13934.54  345.809 13593.05  340.602  468.355   5.8141  462.581   5.7981 5.773926 8.211050 
1 1 1   25    3   10 o  720.487   5.8508 32993.75  535.218 32580.81  747.670 33427.77  766.506  715.870   8.2243  725.104   8.3241 -9.233948 11.70168 
1 1 1   25    3   11 o  516.597   5.4189 16910.32  334.388 17158.89  583.863 16789.00  407.914  519.269   8.8540  513.926   6.2501 5.343933 10.83780 
1 1 1   25    3   12 o  327.243   3.3247  6803.08  138.141  6644.54  193.307  6968.54  197.480  323.348   4.7076  331.138   4.6961 -7.790253 6.649433 
1 1 1   25    3   13 o  427.794   3.8874 11624.60  211.059 11300.34  292.259 11978.04  305.120  421.570   5.4591  434.019   5.5359 -12.44846 7.774788 
1 1 1   25    3   14 o  772.894   6.2567 38016.08  613.302 36816.12  841.607 39374.91  895.587  759.957   8.7205  785.831   8.9743 -25.87433 12.51342 
1 1 1   25    3   15 o  231.660   3.1604  3409.54   92.931  3261.82  129.844  3564.68  133.065  226.516   4.5138  236.804   4.4248 -10.28806 6.320901 
1 1 1   25    3   16 o  233.947   3.1592  3478.64   93.735  3501.65  136.306  3458.00  129.109  234.673   4.5738  233.221   4.3593 1.452316 6.318424 
1 1 1   25    3   17 o  216.693   3.2209  2986.09   88.632  2980.98  124.985  2991.25  125.708  216.507   4.5458  216.879   4.5642 -0.3711853 6.441770 
1 1 1   25    3   18 o   81.297   5.8532  422.111   60.428  424.996   85.749  419.264   85.169   81.573   8.2776   81.021   8.2776 0.5518875 11.70633 
1 1 1   25    3   19 o  207.737   3.3656  2749.48   88.679  2663.58  127.323  2830.40  123.582  204.569   4.9011  210.906   4.6141 -6.337463 6.731292 
1 1 1   25    3   20 o  444.304   5.8294 12582.39  328.914   0.0000   0.0000 12582.39  328.914  ?   ?   444.304   5.8294      ?      ? 
1 1 1   25    3   21 o  236.405   4.0340  3564.03  121.084  3524.40  172.378  3602.63  170.121  235.096   5.7738  237.714   5.6354 -2.618683 8.068098 
1 1 1   25    3   22 o  194.191   3.7614  2403.22   92.652  2422.20  134.520  2386.09  127.797  194.903   5.4349  193.479   5.2013 1.424271 7.522718 
1 1 1   25    3   23 o  205.297   3.7198  2685.83   96.893  2530.94  134.737  2851.72  139.440  199.162   5.3272  211.432   5.1932 -12.27036 7.439697 
1 1 1   25    3   24 o  243.494   3.6073  3785.11  111.530  3725.02  156.214  3847.58  159.285  241.525   5.0931  245.462   5.1099 -3.936523 7.214592 
1 1 1   25    3   25 o  117.582   5.2723  890.991   78.571  875.858  107.407  908.411  115.238  116.559   7.2562  118.605   7.6510 -2.046379 10.54467 
1 1 1   25    3   26 o  198.341   4.0696  2515.09  102.175  2338.79  137.952  2729.33  152.072  190.714   5.6960  205.968   5.8140 -15.25435 8.139174 
1 1 1   25    3   27 o   36.574   10.117   19.098   75.277 -76.3637   98.067  156.032  117.453   25.930   12.101   47.217   16.217 -21.28671 20.23423 
1 1 1   25    3   28 o   98.189   10.162  692.879  125.594  720.827  191.764  671.886  166.201   99.192   15.223   97.185   13.467 2.007469 20.32485 
1 1 1   25    5    0 o  653.307   5.4736 27030.20  452.935 26008.52  614.510 28245.45  670.199  639.841   7.5627  666.773   7.9150 -26.93164 10.94722 
1 1 1   25    5    1 o  848.865   6.8404 45764.29  737.093 46772.52  1061.03 44823.87  1024.73  857.890   9.7391  839.839   9.6081 18.05127 13.68082 
1 1 1   25    5    2 f  429.783   4.1312 11732.92  225.384 11750.12  314.309 11714.71  323.367  430.110   5.7544  429.457   5.9292 0.6527710 8.262493 
1 1 1   25    5    3 o  1097.03   8.6572 76519.62  1206.01 77089.38  1716.05 75963.58  1695.25  1101.06   12.273  1093.00   12.213 8.061768 17.31432 
1 1 1   25    5    4 o  890.003   7.1115 50339.52  803.715 50797.00  1144.73 49894.78  1128.69  893.989   10.083  886.018   10.031 7.970398 14.22301 
1 1 1   25    5    5 o  1211.53   11.634 93813.05  1697.35 92325.48  2892.66 94594.18  2096.14  1203.64   18.924  1219.42   13.536 -15.77917 23.26702 
1 1 1   25    5    6 o  908.706   7.2505 52489.30  836.681 52753.25  1188.43 52229.89  1178.13  910.970   10.273  906.443   10.235 4.526306 14.50106 
1 1 1   25    5    7 o  1320.42   10.335 110948.40  1732.40 109338.20  2413.20 112660.60  2488.51  1310.56   14.500  1330.27   14.731 -19.70813 20.66959 
1 1 1   25    5    8 o  623.477   6.3956 24354.52  467.737 23798.85  559.432 25645.26  852.622  611.973   7.1984  634.980   10.574 -23.00623 12.79126 
1 1 1   25    5    9 o  724.702   5.9032 33398.27  543.280 33461.50  768.216 33335.00  768.413  725.389   8.3394  724.015   8.3574 1.374756 11.80640 
1 1 1   25    5   10 o   90.646   4.9185  519.528   56.444  484.374   76.274  562.084   83.921   87.277   6.8817   94.015   7.0291 -6.737854 9.836963 
1 1 1   25    5   11 o  377.593   3.6193  9060.72  173.533  9215.99  247.616  8910.87  243.268  380.771   5.1208  374.415   5.1163 6.355865 7.238696 
1 1 1   25    5   12 o   47.492   8.8358  151.753   56.247  203.359   76.431   90.787   83.074   55.440   11.241   39.544   13.636 15.89601 17.67152 
1 1 1   25    5   13 o  356.208   4.2152  8163.35  183.769  7715.43  298.890  8435.58  233.016  348.169   6.7600  364.248   5.0374 -16.07874 8.430474 
1 1 1   25    5   14 o  286.715   3.2236  5225.61  117.362  5253.23  167.300  5198.84  164.682  287.459   4.5829  285.971   4.5347 1.488403 6.447204 
1 1 1   25    5   15 o   39.935   9.0036   99.900   51.587   89.116   72.183  111.158   73.752   38.272   12.714   41.598   12.752 -3.326973 18.00720 
1 1 1   25    5   16 f  292.812   3.2902  5452.86  122.312  5444.63  174.961  5460.73  171.055  292.590   4.7087  293.033   4.5966 -0.4434509 6.580379 
1 1 1   25    5   17 o  187.001   3.2577  2222.03   77.291  2174.04  106.588  2275.25  112.243  184.879   4.5398  189.124   4.6734 -4.244659 6.515465 
1 1 1   25    5   18 o   50.744   9.1667  173.115   61.069  229.643   85.529  114.323   87.224   58.715   11.879   42.772   13.965 15.94328 18.33338 
1 1 1   25    5   19 o  142.109   3.9439  1281.43   71.028  1199.53   96.826  1376.86  104.511  137.214   5.5567  147.003   5.5983 -9.789185 7.887840 
1 1 1   25    5   21 o  244.080   4.6634  3781.10  131.870  3746.64  156.784  3864.42  243.806  242.483   5.0915  245.678   7.8145 -3.195465 9.326812 
1 1 1   25    5   22 o  191.995   4.7691  2318.34  104.433  2269.77  122.519  2447.39  199.710  188.673   5.1135  195.316   8.0516 -6.642654 9.538169 
1 1 1   25    5   23 o  272.135   3.4960  4720.17  120.745  4870.06  174.493  4582.45  167.256  276.268   4.9736  268.002   4.9144 8.266266 6.991962 
1 1 1   25    5   24 o  164.865   5.4428  1761.58  100.807  1732.00  193.789  1772.55  118.033  163.321   9.3435  166.409   5.5853 -3.088028 10.88564 
1 1 1   25    5   25 o  111.507   5.5822  815.305   77.580  637.688  109.508  994.266  109.922   98.921   8.7173  124.093   6.9752 -25.17232 11.16445 
1 1 1   25    5   26 o  251.428   5.9063  4117.00  186.616  4299.31  287.758  3984.67  245.161  255.724   8.8609  247.132   7.8117 8.592392 11.81261 
1 1 1   25    5   27 o  118.904   8.9041  1005.65  129.214  861.726  202.365  1104.71  167.895  109.876   14.503  127.932   10.334 -18.05601 17.80823 
1 1 1   25    5   28 o   32.153   10.851 -164.9601  120.171 -42.3696  188.440 -248.9877  156.012   37.375   17.207   26.932   13.225 10.44300 21.70234 
1 1 1   25    7    0 o  715.077   5.9277 32333.07  535.966 30902.62  719.244 34119.25  803.711  697.394   8.1212  732.760   8.6370 -35.36517 11.85541 
1 1 1   25    7    2 o  515.330   4.5716 16873.07  299.075 17004.11  418.459 16736.24  427.600  517.380   6.3689  513.281   6.5600 4.098267 9.143137 
1 1 1   25    7    3 o  259.424   3.5542  4269.50  115.999  4237.98  153.611  4311.32  176.947  258.316   4.6827  260.532   5.3482 -2.215912 7.108453 
1 1 1   25    7    4 o  174.108   4.0406  1912.48   87.528  1862.70  112.307  1989.50  139.695  171.248   5.1642  176.968   6.2159 -5.719955 8.081259 
1 1 1   25    7    5 f  431.224   4.9478 11680.19  255.972 12225.40  446.369 11413.05  312.452  438.589   8.0142  423.860   5.8048 14.72952 9.895552 
1 1 1   25    7    6 o  583.223   4.9527 21618.29  366.787 21698.76  515.832 21536.01  521.648  584.325   6.9515  582.121   7.0564 2.203064 9.905373 
1 1 1   25    7    7 o  339.785   3.5757  7326.31  153.729  7232.37  208.057  7439.25  228.140  337.398   4.8558  342.173   5.2502 -4.774994 7.151488 
1 1 1   25    7    8 o  281.871   3.4117  5054.86  121.471  5111.18  164.036  4986.48  180.751  283.624   4.5543  280.120   5.0811 3.503937 6.823413 
1 1 1   25    7    9 o  309.380   3.4205  6070.60  133.846  5947.62  180.539  6220.69  199.443  305.919   4.6471  312.841   5.0202 -6.921234 6.840918 
1 1 1   25    7   10 o  684.730   5.6372 29853.82  490.105 29631.82  685.886 30085.43  700.575  682.143   7.9177  687.317   8.0264 -5.173828 11.27442 
1 1 1   25    7   11 o  648.653   5.3801 26790.28  443.141 27112.61  631.585 26477.75  621.920  652.492   7.6222  644.814   7.5949 7.677795 10.76012 
1 1 1   25    7   12 o  484.047   4.2789 14906.81  262.984 14875.57  368.401 14939.26  375.532  483.538   5.9995  484.556   6.1027 -1.017242 8.557860 
1 1 1   25    7   13 f  148.106   3.8177  1383.11   69.973  1343.01   88.843  1448.63  113.559  145.330   4.8138  150.881   5.9267 -5.551071 7.635306 
1 1 1   25    7   14 o  164.290   3.7059  1724.85   76.357  1770.18  101.114  1664.70  116.480  166.839   4.7724  161.741   5.6709 5.098770 7.411829 
1 1 1   25    7   15 o  309.696   3.9897  6131.37  152.675  5987.54  244.626  6223.13  195.404  306.618   6.2824  312.774   4.9195 -6.155487 7.979387 
1 1 1   25    7   16 o  443.395   4.0272 12516.71  226.717 12435.87  317.079 12601.27  324.296  441.940   5.6497  444.849   5.7405 -2.909180 8.054359 
1 1 1   25    7   17 o  219.840   3.3179  3075.04   92.487  3067.37  127.257  3083.62  134.648  219.563   4.5640  220.118   4.8169 -0.5550079 6.635717 
1 1 1   25    7   18 o  142.022   3.9497  1289.82   70.974  1367.82   98.358  1205.08  102.515  146.544   5.2853  137.500   5.8709 9.043488 7.899462 
1 1 1   25    7   20 o  226.024   3.4286  3259.65   98.239  3379.37  136.647  3131.57  141.333  230.353   4.6712  221.695   5.0201 8.657913 6.857212 
1 1 1   25    7   21 o  218.080   3.4897  3026.94   95.880  2995.17  127.503  3068.28  145.454  216.816   4.6308  219.344   5.2218 -2.528275 6.979351 
1 1 1   25    7   22 o  100.636   6.8608  649.038   87.681  649.038   87.681   0.0000   0.0000  100.636   6.8608  ?   ?       ?      ? 
1 1 1   25    7   23 o  146.959   4.1364  1398.18   75.399  1460.10   98.009  1308.39  118.018  151.140   5.1063  142.778   6.5089 8.361404 8.272848 
1 1 1   25    7   24 f   88.585   11.134  546.569  122.610  525.400  173.510  567.684  173.283   85.995   16.488   91.175   14.966 -5.179565 22.26736 
1 1 1   25    7   25 o  311.033   5.8111  6313.65  229.010  6928.02  330.747  5747.86  317.402  325.783   7.9945  296.283   8.4358 29.50015 11.62214 
1 1 1   25    7   26 o  155.167   7.2809  1614.66  143.171  1528.26  194.941  1715.82  210.954  150.776   10.181  159.558   10.411 -8.782379 14.56171 
1 1 1   25    7   27 f  151.413   7.2512  1571.19  138.876  1446.41  198.661  1690.44  194.214  144.938   10.793  157.888   9.6862 -12.95029 14.50234 
1 1 1   25    9    0 o  689.072   5.7708 30138.86  504.029 29472.39  688.729 30907.40  739.595  680.903   7.9650  697.242   8.3528 -16.33966 11.54169 
1 1 1   25    9    1 o  162.015   4.5172  1683.53   90.778  1745.77  117.690  1592.10  142.635  165.762   5.5908  158.268   7.0967 7.493820 9.034399 
1 1 1   25    9    2 o  331.537   3.8447  6929.92  159.476  6684.95  206.769  7289.62  250.551  324.377   5.0195  338.696   5.8252 -14.31909 7.689449 
1 1 1   25    9    3 o  213.184   3.9182  2920.54  103.850  3065.97  135.770  2715.47  161.219  219.671   4.8669  206.696   6.1420 12.97563 7.836497 
1 1 1   25    9    4 o  500.655   4.5231 15931.19  286.985 15864.33  393.026 16007.55  420.034  499.549   6.1953  501.760   6.5919 -2.210419 9.046297 
1 1 1   25    9    5 o  430.259   4.0910 11769.92  223.071 11782.85  305.903 11755.25  325.995  430.528   5.5951  429.989   5.9700 0.5388184 8.182034 
1 1 1   25    9    6 o  184.488   4.2751  2156.18   95.178  2138.05  117.302  2191.13  162.833  183.400   5.0365  185.575   6.9095 -2.174728 8.550285 
1 1 1   25    9    7 o  246.182   4.6232  3852.03  144.535  3852.03  144.535   0.0000   0.0000  246.182   4.6232  ?   ?       ?      ? 
1 1 1   25    9    8 o  212.256   3.6602  2830.24   96.190  2718.13  121.968  3014.67  156.445  206.790   4.6445  217.722   5.6583 -10.93187 7.320329 
1 1 1   25    9    9 o  288.183   3.5307  5236.97  127.381  5036.19  165.330  5530.27  199.820  281.469   4.6253  294.897   5.3357 -13.42850 7.061403 
1 1 1   25    9   10 o  151.777   4.1921  1440.75   78.288  1370.42   98.088  1564.17  129.946  146.794   5.2617  156.760   6.5275 -9.966614 8.384194 
1 1 1   25    9   11 o  269.035   4.5136  4601.75  154.210  4601.75  154.210   0.0000   0.0000  269.035   4.5136  ?   ?       ?      ? 
1 1 1   25    9   12 o  286.051   3.5162  5151.58  125.834  4915.27  162.832  5501.93  198.268  278.024   4.6119  294.078   5.3090 -16.05450 7.032422 
1 1 1   25    9   13 o  144.752   4.2275  1357.33   73.049  1405.93   90.081  1264.01  124.838  148.673   4.7712  140.831   6.9803 7.841965 8.455076 
1 1 1   25    9   14 o  500.100   4.4453 15925.48  281.968 15769.85  388.410 16098.88  409.992  497.555   6.1471  502.645   6.4230 -5.089722 8.890538 
1 1 1   25    9   15 o  333.741   3.6206  7011.69  151.568  6620.76  197.190  7576.14  236.944  322.547   4.8141  344.934   5.4092 -22.38657 7.241179 
1 1 1   25    9   16 o  543.447   6.6057 18840.96  455.885 18840.96  455.885   0.0000   0.0000  543.447   6.6057  ?   ?       ?      ? 
1 1 1   25    9   17 o   20.083   10.049 -290.7286   61.492 -287.6946   74.899 -297.0026  107.707  ?   ?    20.083   10.049      ?      ? 
1 1 1   25    9   19 o   90.930   5.7436  530.001   60.426  529.905   71.947  530.229  111.322   91.096   6.2192   90.764   9.6581 0.3322754 11.48730 
1 1 1   25    9   20 o  234.780   3.6147  3521.76  105.335  3543.72  135.581  3488.34  167.303  235.820   4.5273  233.740   5.6363 2.079086 7.229424 
1 1 1   25    9   21 o  312.917   4.5556  6249.23  162.327  6219.62  191.006  6326.23  308.009  312.197   4.8177  313.637   7.7332 -1.440582 9.111116 
1 1 1   25    9   22 o  179.548   6.4838  2094.28  147.720  2100.62  213.348  2088.44  204.733  179.729   9.3474  179.367   8.9881 0.3620453 12.96764 
1 1 1   25    9   23 o   90.193   11.722  570.310  129.812  743.271  192.699  426.604  175.648  104.273   14.552   76.112   18.380 28.16158 23.44338 
1 1 1   25    9   24 o  142.721   9.8537  1450.68  171.784  1123.71  256.778  1715.56  231.120  125.769   16.077  159.674   11.398 -33.90452 19.70749 
1 1 1   25    9   25 o   68.735   13.018  387.693  130.567  164.706  194.699  569.930  176.012   50.353   20.129   87.117   16.514 -36.76426 26.03629 
1 1 1   25    9   26 o  161.764   9.6346  1776.49  197.923   0.0000   0.0000  1776.49  197.923  ?   ?   161.764   9.6346      ?      ? 
1 1 1   25   11    0 o  306.886   3.9844  5940.90  134.731  5893.17  155.429  6085.14  270.222  304.537   4.0190  309.235   6.8810 -4.698639 7.968736 
1 1 1   25   11    1 o  155.253   4.2519  1465.05   77.001  1370.53   90.919  1704.85  144.814  146.835   4.8758  163.672   6.9672 -16.83780 8.503828 
1 1 1   25   11    2 o  322.723   3.9584  6591.83  141.288  6559.69  163.433  6686.88  281.100  321.292   4.0056  324.153   6.8286 -2.861298 7.916714 
1 1 1   25   11    3 o  149.206   4.4195  1417.86   72.393  1419.38   83.551  1413.30  145.002  149.440   4.4026  148.973   7.6646 0.4663849 8.839058 
1 1 1   25   11    4 o  359.702   4.1432  8290.80  164.692  8354.41  191.026  8106.61  325.051  362.569   4.1488  356.835   7.1731 5.733673 8.286481 
1 1 1   25   11    5 o  540.636   5.3686 18722.44  320.110 18831.30  370.775 18403.74  634.385  544.162   5.3654  537.111   9.3006 7.050720 10.73728 
1 1 1   25   11    6 o  326.544   3.9621  6464.64  137.942  6215.61  155.664  7375.29  297.675  312.736   3.9195  340.353   6.8871 -27.61682 7.924294 
1 1 1   25   11    7 o  260.267   3.8455  4224.33  107.744  4151.81  122.671  4469.10  225.368  255.597   3.7793  264.937   6.6984 -9.339706 7.691040 
1 1 1   25   11    8 o  393.797   4.3524  9820.21  186.607  9772.62  214.198  9970.04  380.097  392.076   4.3020  395.519   7.5675 -3.442657 8.704791 
1 1 1   25   11    9 o  414.405   4.4764 10945.53  202.337 10955.88  232.794 10913.56  409.160  415.102   4.4161  413.707   7.7879 1.394562 8.952868 
1 1 1   25   11   10 o  228.086   4.0795  3282.51  110.270  3231.97  133.274  3392.18  196.339  225.427   4.6555  230.745   6.7003 -5.317932 8.158921 
1 1 1   25   11   11 o  271.706   3.8705  4661.64  109.440  4633.98  123.237  4764.86  238.044  270.005   3.5941  273.406   6.8560 -3.401642 7.740963 
1 1 1   25   11   12 o  291.261   3.9680  5262.57  118.081  5170.37  131.737  5639.38  266.325  285.183   3.6375  297.339   7.0531 -12.15625 7.935902 
1 1 1   25   11   13 o  198.592   4.2132  2632.06   82.182  2706.25   91.631  2326.96  185.819  206.319   3.4972  190.864   7.6663 15.45503 8.426349 
1 1 1   25   11   14 o  182.305   4.4677  2171.05   77.347  2198.13   85.094  2042.35  185.536  185.926   3.6040  178.684   8.1765 7.242065 8.935494 
1 1 1   25   11   15 o  266.354   4.4951  4539.97  139.594  4560.73  167.307  4492.42  253.244  267.616   4.9229  265.091   7.5226 2.524567 8.990220 
1 1 1   25   11   16 o  177.485   4.9585  2007.75   73.134  2005.99   78.053  2020.36  209.330  177.602   3.4607  177.368   9.2935 0.2338409 9.916937 
1 1 1   25   11   17 o  105.329   6.0988  621.264   43.101  606.633   44.608  826.984  167.264   97.651   3.5971  113.007   11.655 -15.35503 12.19769 
1 1 1   25   11   18 o  208.223   5.9608  2780.85  157.457  2655.61  216.864  2920.47  228.986  203.284   8.4005  213.163   8.4590 -9.878586 11.92157 
1 1 1   25   11   19 o  240.849   8.4072  3736.83  257.141  3736.83  257.141   0.0000   0.0000  240.849   8.4072  ?   ?       ?      ? 
1 1 1   25   11   20 o   46.923   13.482   75.944  127.700  140.686  183.223   14.788  178.077   51.343   19.822   42.502   18.280 8.841679 26.96385 
1 1 1   25   11   21 o  110.030   9.3608  813.312  130.795  810.935  185.368  815.668  184.579  109.847   13.288  110.213   13.188 -0.3660049 18.72151 
1 1 1   25   11   22 o   28.290   10.018 -558.7054  153.380 -765.5853  224.718 -378.2687  209.866   25.783   13.092   30.798   15.166 -5.014088 20.03507 
1 1 1   25   13    0 o  283.044   4.0148  5157.29  127.898  5228.82  150.084  4967.57  244.424  286.809   4.1206  279.279   6.8917 7.529205 8.029673 
1 1 1   25   13    1 o  253.455   3.8843  4047.62  110.454  4003.78  128.575  4171.12  215.782  250.975   4.0341  255.935   6.6391 -4.959534 7.768634 
1 1 1   25   13    2 o  341.423   4.1683  7335.34  156.576  7253.16  180.362  7586.73  315.452  337.780   4.2047  345.067   7.1987 -7.287231 8.336679 
1 1 1   25   13    3 o  364.023   4.2448  8327.27  170.018  8221.59  195.788  8651.30  342.847  359.608   4.2872  368.439   7.3275 -8.830505 8.489592 
1 1 1   25   13    4 o   96.909   6.5038  585.085   70.296  569.553   81.281  631.174  140.019   94.554   6.7691   99.264   11.108 -4.709305 13.00764 
1 1 1   25   13    5 o  292.458   4.0626  5486.43  129.614  5527.28  149.379  5361.99  260.733  294.865   3.9892  290.051   7.0785 4.813446 8.125249 
1 1 1   25   13    6 f  215.596   3.9846  2957.22   93.681  2955.69  107.730  2961.98  189.727  215.620   3.9343  215.572   6.9304 0.4853821E-01 7.969284 
1 1 1   25   13    7 o  182.514   4.1426  2168.56   82.155  2214.86   94.859  2029.59  164.343  186.640   4.0022  178.388   7.2545 8.252396 8.285253 
1 1 1   25   13    8 o  128.120   5.3100  1030.54   69.687  1018.94   77.940  1076.80  155.611  126.542   4.8501  129.698   9.4478 -3.156288 10.61995 
1 1 1   25   13    9 o  346.910   4.1464  7753.55  158.291  7842.39  183.411  7494.21  313.364  351.147   4.1130  342.674   7.2010 8.472534 8.292799 
1 1 1   25   13   10 o  182.757   4.4640  2026.11   79.800  1970.57   87.640  2295.52  193.020  176.022   3.9207  189.491   8.0212 -13.46828 8.928070 
1 1 1   25   13   11 o  188.997   4.5751  2248.15   84.748  2230.81   93.554  2327.45  200.094  187.274   3.9338  190.721   8.2615 -3.446396 9.150239 
1 1 1   25   13   12 o  402.832   8.3240 10390.13  425.826   0.0000   0.0000 10390.13  425.826  ?   ?   402.832   8.3240      ?      ? 
1 1 1   25   13   13 o  168.296   5.3522  1957.91   80.837  2025.90   88.359  1608.83  200.213  178.444   3.8992  158.148   9.9690 20.29558 10.70437 
1 1 1   25   13   14 o  271.695   4.0827  4589.12  112.089  4513.27  124.633  4910.02  256.361  266.351   3.6847  277.039   7.2867 -10.68787 8.165383 
1 1 1   25   13   15 o  179.355   4.7137  2062.62   71.563  2064.56   76.648  2049.44  199.813  180.157   3.3502  178.554   8.8120 1.603470 9.427408 
1 1 1   25   13   16 o  135.327   7.7644  1187.45  133.270  1273.48  192.062  1107.56  185.076  140.098   10.795  130.556   11.163 9.541580 15.52889 
1 1 1   25   13   17 o  259.870   5.3917  4351.16  177.439  4227.31  258.513  4461.48  243.990  256.224   7.9448  263.515   7.2911 -7.290253 10.78330 
1 1 1   25   13   18 o   36.073   11.567 -70.0740  114.077 -50.7934  169.661 -85.9833  154.116   37.897   17.000   34.248   15.691 3.649086 23.13471 
1 1 1   25   13   19 o  196.946   8.3125  2521.59  207.900   0.0000   0.0000  2521.59  207.900  ?   ?   196.946   8.3125      ?      ? 
1 1 1   25   15    0 o  123.711   5.9730  1010.55   85.451  1061.99  103.134  897.909  152.611  129.083   6.2915  118.338   10.155 10.74533 11.94606 
1 1 1   25   15    1 o  314.154   4.2778  6414.81  151.498  6570.66  178.462  6012.78  286.631  321.387   4.3726  306.922   7.3539 14.46533 8.555677 
1 1 1   25   15    2 o  320.792   4.2692  6732.29  154.748  6955.93  182.999  6171.00  289.910  330.669   4.3579  310.914   7.3425 19.75458 8.538362 
1 1 1   25   15    3 o  111.813   6.5963  793.366   86.676  781.169  104.046  821.024  156.685  110.606   7.4074  113.021   10.917 -2.415596 13.19256 
1 1 1   25   15    4 o  187.770   4.6952  2319.12  100.261  2414.82  119.313  2089.15  184.953  194.775   4.8237  180.766   8.0569 14.00858 9.390490 
1 1 1   25   15    5 o  582.549   6.1421 21838.08  430.699 22082.78  532.206 21373.66  733.187  588.087   7.1262  577.010   10.006 11.07666 12.28415 
1 1 1   25   15    6 o  227.914   5.0085  3291.95  130.231  3260.09  153.208  3374.92  247.240  226.223   5.3329  229.605   8.4793 -3.382431 10.01690 
1 1 1   25   15    7 o  182.483   5.6017  1684.65  108.787  1376.69  120.434  3049.87  253.572  146.884   6.4565  218.083   9.1559 -71.19884 11.20343 
1 1 1   25   15    8 o  211.723   5.7588  3117.22  137.210  3512.39  166.815  2290.66  241.258  234.726   5.5962  188.719   10.067 46.00677 11.51766 
1 1 1   25   15    9 o   49.552   12.267  148.991   88.180  165.275  100.665   95.288  182.808   49.896   14.813   49.208   19.558 0.6881752 24.53454 
1 1 1   25   15   10 o  446.513   4.8661 12763.17  236.272 12781.45  271.545 12706.21  479.375  447.940   4.7736  445.086   8.4811 2.854340 9.732249 
1 1 1   25   15   11 o   91.175   8.0627  535.606   68.832  534.282   75.237  542.399  170.481   91.436   6.4795   90.913   14.766 0.5220490 16.12534 
1 1 1   25   15   12 o   77.756   10.169  457.489   65.745  477.876   70.900  332.381  175.635   86.442   6.4587   69.070   19.285 17.37211 20.33808 
1 1 1   25   15   13 o   58.323   9.6154  316.595   57.668  354.466   61.129   10.298  173.848   74.411   6.4690   42.235   18.110 32.17610 19.23071 
1 1 1   25   15   14 o  187.481   4.5650  2283.38   76.959  2296.31   83.486  2210.23  198.538  189.908   3.4617  185.055   8.4482 4.852921 9.129981 
1 1 1   25   17    0 o   58.327   12.923  196.223   96.832  156.926  112.598  307.819  189.747   49.340   15.847   67.314   20.418 -17.97335 25.84555 
1 1 1   25   17    1 o  178.241   5.5636  2012.00  110.081  1988.71  127.422  2080.51  218.565  176.587   5.6821  179.895   9.5672 -3.308365 11.12729 
1 1 1   25   17    2 o  493.310   5.2694 15706.33  291.355 15863.22  340.870 15280.89  561.319  498.826   5.3810  487.793   9.0614 11.03336 10.53870 
1 1 1   25   17    3 o  394.951   4.6961 10022.51  208.241 10087.11  243.619  9847.28  401.246  397.913   4.8211  391.989   8.0605 5.924164 9.392224 
1 1 1   25   17    4 o  153.465   5.8658  1571.90  100.195  1645.98  118.010  1380.58  189.641  160.605   5.7860  146.324   10.206 14.28078 11.73169 
1 1 1   25   17    5 o  123.477   7.1045  1053.12   93.013  1121.29  107.717  853.281  184.420  132.463   6.4034  114.490   12.684 17.97324 14.20890 
1 1 1   25   17    6 o   85.450   9.2569  497.522   86.247  515.250  102.005  453.070  161.526   89.480   8.9767   81.420   16.192 8.060387 18.51380 
1 1 1   25   17    7 o  121.044   6.4694  980.756   84.369  1016.54   97.537  874.402  168.140  126.104   6.0906  115.983   11.416 10.12106 12.93880 
1 1 1   25   17    8 o   78.379   10.233  432.166   81.304  447.299   92.157  379.028  172.693   83.311   8.7105   73.446   18.519 9.865395 20.46549 
1 1 1   25   17    9 o  222.848   4.5198  3166.04  105.455  3154.13  119.131  3209.17  226.686  222.443   4.2172  223.252   7.9956 -0.8086548 9.039634 
1 1 1   25   17   10 o  142.096   6.5915  1288.18  115.563  1222.81  145.445  1400.10  190.320  137.593   8.3239  146.600   10.223 -9.007355 13.18309 
1 1 1   25   17   11 o  107.460   6.5285  742.159   89.092  742.159   89.092   0.0000   0.0000  107.460   6.5285  ?   ?       ?      ? 
1 1 1   25   17   12 o   65.717   8.7316  281.159   72.870  281.159   72.870   0.0000   0.0000   65.717   8.7316  ?   ?       ?      ? 
1 1 1   25   19    0 o   73.461   11.800  361.343   98.478  340.072  115.340  418.556  189.162   70.620   13.350   76.301   19.461 -5.680458 23.59971 
1 1 1   25   19    1 o  173.055   5.7977  1943.12  111.238  1953.10  129.287  1914.66  218.273  174.633   5.8298  171.478   10.023 3.154419 11.59543 
1 1 1   25   19    2 o  149.777   6.6043  1387.72  106.987  1328.00  121.504  1593.81  225.711  143.779   6.6545  155.774   11.410 -11.99428 13.20862 
1 1 1   25   19    3 o  196.572   5.4017  2507.55  115.644  2521.43  133.227  2465.14  232.905  198.502   5.2851  194.642   9.4224 3.859726 10.80344 
1 1 1   25   19    4 o  211.299   5.0837  2885.27  118.379  2892.45  137.053  2864.19  234.917  212.619   5.0758  209.979   8.8097 2.640167 10.16731 
1 1 1   25   19    5 o  219.097   5.2253  3008.99  137.710  2827.56  167.381  3389.08  242.269  209.701   6.2853  228.492   8.3493 -18.79073 10.45062 
1 1 1   25   19    6 o  162.228   6.8058  1698.08  140.211  1698.08  140.211   0.0000   0.0000  162.228   6.8058  ?   ?       ?      ? 
1 1 1   25   19    7 o   71.566   12.795  354.021  112.016  354.021  112.016   0.0000   0.0000   71.566   12.795  ?   ?       ?      ? 
1 1 1   25   19    9 f  176.261   6.1610  2007.25  137.906  2007.25  137.906   0.0000   0.0000  176.261   6.1610  ?   ?       ?      ? 
1 1 1   25   21    0 o   98.641   11.431  662.345  143.188  662.345  143.188   0.0000   0.0000   98.641   11.431  ?   ?       ?      ? 
1 1 1   25   21    1 o   66.200   17.339  336.970  147.503  336.970  147.503   0.0000   0.0000   66.200   17.339  ?   ?       ?      ? 
1 1 1   25   21    2 o   26.136   12.725 -203.0443  135.518 -203.0443  135.518   0.0000   0.0000   26.136   12.725  ?   ?       ?      ? 
1 1 1   25   21    3 o   86.066   12.616  516.184  137.888  516.184  137.888   0.0000   0.0000   86.066   12.616  ?   ?       ?      ? 
1 1 1   25   21    5 o   42.586   16.745  111.671  132.671  111.671  132.671   0.0000   0.0000   42.586   16.745  ?   ?       ?      ? 
1 1 1   25   21    6 o   98.242   11.678  673.658  145.697  673.658  145.697   0.0000   0.0000   98.242   11.678  ?   ?       ?      ? 
1 1 1   26    0    0 o  479.467   4.2764 14606.40  368.109 14606.40  368.109 14606.40  368.109  479.467   6.0478  479.467   6.0478 -0.000000 0.000000 
1 1 1   26    0    1 o  444.327   4.0322 12543.87  321.645 12543.87  321.645 12543.87  321.645  444.327   5.7024  444.327   5.7024 -0.000000 0.000000 
1 1 1   26    0    2 o  528.878   4.5503 17771.94  432.056 17771.94  432.056 17771.94  432.056  528.878   6.4350  528.878   6.4350 -0.000000 0.000000 
1 1 1   26    0    3 o  704.306   5.7538 31519.02  727.574 31519.02  727.574 31519.02  727.574  704.306   8.1371  704.306   8.1371 -0.000000 0.000000 
1 1 1   26    0    4 o  1197.73   9.3959 91195.77  2020.54 91195.77  2020.54 91195.77  2020.54  1197.73   13.288  1197.73   13.288 -0.000000 0.000000 
1 1 1   26    0    5 o  1044.56   8.2479 69351.63  1546.84 69351.63  1546.84 69351.63  1546.84  1044.56   11.664  1044.56   11.664 -0.000000 0.000000 
1 1 1   26    0    6 o  159.997   3.8077  1631.19  109.132  1631.19  109.132  1631.19  109.132  159.997   5.3849  159.997   5.3849 -0.000000 0.000000 
1 1 1   26    0    7 f  1882.76   14.607 225656.41  4937.73 225656.41  4937.73 225656.41  4937.73  1882.76   20.657  1882.76   20.657 -0.000000 0.000000 
1 1 1   26    0    8 o  1465.26   16.186 136826.80  4256.99 136826.80  4256.99 136826.80  4256.99  1465.26   22.890  1465.26   22.890 -0.000000 0.000000 
1 1 1   26    0    9 o  606.526   5.0461 23376.47  549.495 23376.47  549.495 23376.47  549.495  606.526   7.1363  606.526   7.1363 -0.000000 0.000000 
1 1 1   26    0   10 o  923.734   7.3430 54258.12  1217.84 54258.12  1217.84 54258.12  1217.84  923.734   10.385  923.734   10.385 -0.000000 0.000000 
1 1 1   26    0   11 o  763.258   6.1676 37046.46  845.187 37046.46  845.187 37046.46  845.187  763.258   8.7223  763.258   8.7223 -0.000000 0.000000 
1 1 1   26    0   12 o  648.850   5.3488 26774.25  623.102 26774.25  623.102 26774.25  623.102  648.850   7.5643  648.850   7.5643 -0.000000 0.000000 
1 1 1   26    0   13 o  435.335   3.9249 12048.23  306.750 12048.23  306.750 12048.23  306.750  435.335   5.5506  435.335   5.5506 -0.000000 0.000000 
1 1 1   26    0   14 o  514.821   4.4479 16854.13  411.108 16854.13  411.108 16854.13  411.108  514.821   6.2902  514.821   6.2902 -0.000000 0.000000 
1 1 1   26    0   15 o   49.185   9.6244  185.503   73.530  185.503   73.530  185.503   73.530   49.185   13.611   49.185   13.611 -0.000000 0.000000 
1 1 1   26    0   16 o  107.487   4.3900  741.841   84.098  741.841   84.098  741.841   84.098  107.487   6.2084  107.487   6.2084 -0.000000 0.000000 
1 1 1   26    0   17 o  149.486   3.7918  1425.90  101.501  1425.90  101.501  1425.90  101.501  149.486   5.3624  149.486   5.3624 -0.000000 0.000000 
1 1 1   26    0   18 o  330.163   3.4335  6933.15  203.489  6933.15  203.489  6933.15  203.489  330.163   4.8557  330.163   4.8557 -0.000000 0.000000 
1 1 1   26    0   19 o   87.588   6.1439  503.139   94.463  503.139   94.463  503.139   94.463   87.588   8.6887   87.588   8.6887 -0.000000 0.000000 
1 1 1   26    0   20 o   17.717   8.7846 -111.2865  105.971 -111.2865  105.971 -111.2865  105.971   17.717   12.423   17.717   12.423 -0.000000 0.000000 
1 1 1   26    0   21 o  560.455   4.9231 20016.48  495.360 20016.48  495.360 20016.48  495.360  560.455   6.9623  560.455   6.9623 -0.000000 0.000000 
1 1 1   26    0   22 o  557.511   4.8193 19811.04  482.371 19811.04  482.371 19811.04  482.371  557.511   6.8155  557.511   6.8155 -0.000000 0.000000 
1 1 1   26    0   23 o  385.716   3.8388  9477.03  265.801  9477.03  265.801  9477.03  265.801  385.716   5.4288  385.716   5.4288 -0.000000 0.000000 
1 1 1   26    0   24 o  243.725   3.6121  3787.85  157.951  3787.85  157.951  3787.85  157.951  243.725   5.1083  243.725   5.1083 -0.000000 0.000000 
1 1 1   26    0   25 f  374.320   3.7999  8940.89  255.334  8940.89  255.334  8940.89  255.334  374.320   5.3739  374.320   5.3739 -0.000000 0.000000 
1 1 1   26    0   26 o  151.022   5.4074  1476.22  145.804  1476.22  145.804  1476.22  145.804  151.022   7.6472  151.022   7.6472 -0.000000 0.000000 
1 1 1   26    0   27 o   18.663   9.2383 -106.5959  115.773 -106.5959  115.773 -106.5959  115.773   18.663   13.065   18.663   13.065 -0.000000 0.000000 
1 1 1   26    0   28 o   33.244   12.820  114.001  108.654  114.001  108.654  114.001  108.654   33.244   18.130   33.244   18.130 -0.000000 0.000000 
1 1 1   26    2    0 o  622.198   7.3518 24593.38  580.895 24593.38  580.895   0.0000   0.0000  622.198   7.3518  ?   ?       ?      ? 
1 1 1   26    2    1 o  1198.42   9.4058 91309.57  1431.06 92692.31  2053.54 90004.05  1995.38  1207.22   13.395  1189.62   13.208 17.60767 18.81157 
1 1 1   26    2    2 o  242.890   4.7402  3746.74  146.213  3746.74  146.213   0.0000   0.0000  242.890   4.7402  ?   ?       ?      ? 
1 1 1   26    2    3 o  801.307   9.1314 40801.17  929.210 40801.17  929.210   0.0000   0.0000  801.307   9.1314  ?   ?       ?      ? 
1 1 1   26    2    5 o  1426.32   11.136 129415.40  2016.20 131723.91  2901.31 127259.40  2803.87  1438.59   15.881  1414.06   15.614 24.53235 22.27113 
1 1 1   26    2    6 o  1569.99   17.297 156975.41  3448.65   0.0000   0.0000 156975.41  3448.65  ?   ?   1569.99   17.297      ?      ? 
1 1 1   26    2    7 o  1658.26   12.908 175220.91  2718.17 175427.09  3848.50 175015.59  3839.68  1659.23   18.264  1657.29   18.244 1.940308 25.81530 
1 1 1   26    2    8 o  865.058   6.9071 47570.04  758.784 47597.97  1073.34 47542.13  1072.82  865.312   9.7676  864.804   9.7686 0.5078735 13.81419 
1 1 1   26    2    9 o  1473.75   11.514 138392.50  2153.88 141013.30  3102.24 135953.41  2992.80  1487.16   16.426  1460.34   16.138 26.82056 23.02724 
1 1 1   26    2   10 o  270.989   3.1776  4654.33  109.215  4979.79  158.554  4360.48  150.656  279.984   4.4593  261.995   4.5281 17.98956 6.355235 
1 1 1   26    2   11 o  371.831   3.5608  8773.48  167.995  9086.39  243.902  8491.03  231.726  378.127   5.0793  365.534   4.9919 12.59222 7.121684 
1 1 1   26    2   12 o  113.082   4.1108  810.920   58.922  744.931   81.193  884.339   85.642  108.232   5.9072  117.931   5.7184 -9.698952 8.221657 
1 1 1   26    2   13 o  167.120   3.3362  1774.98   70.728  1889.26  100.978  1664.92   99.098  172.404   4.6121  161.837   4.8218 10.56734 6.672433 
1 1 1   26    2   14 o  329.438   3.3898  6899.68  141.807  6788.31  200.075  7012.11  201.018  326.764   4.8215  332.112   4.7662 -5.347595 6.779634 
1 1 1   26    2   15 o  511.854   4.4309 16664.37  287.893 16303.50  400.127 17051.70  414.541  506.121   6.2254  517.588   6.3068 -11.46716 8.861742 
1 1 1   26    2   16 o  119.503   4.2372  909.142   64.284  882.437   90.794  935.986   91.031  117.739   6.0723  121.267   5.9111 -3.527710 8.474327 
1 1 1   26    2   17 o  215.844   3.2080  2960.98   87.885  2826.34  122.721  3102.73  125.917  210.807   4.5841  220.881   4.4890 -10.07465 6.416021 
1 1 1   26    2   18 o  547.367   4.6897 19092.25  325.904 19396.41  467.480 18804.63  454.587  551.593   6.6737  543.141   6.5906 8.452942 9.379470 
1 1 1   26    2   19 f  222.421   3.4163  3151.04   96.428  3052.89  137.396  3246.32  135.367  218.993   4.9404  225.850   4.7197 -6.856018 6.832532 
1 1 1   26    2   20 f  137.505   4.8790  1214.53   84.641  1078.52  121.454  1342.96  118.020  129.922   7.3612  145.087   6.4054 -15.16486 9.757920 
1 1 1   26    2   21 o   19.106   9.6508 -534.6697   80.118 -371.3132  112.230 -704.4291  114.409   19.106   9.6508  ?   ?       ?      ? 
1 1 1   26    2   22 o  189.094   3.8311  2282.34   91.874  2145.26  129.913  2419.48  129.945  183.384   5.5784  194.804   5.2527 -11.41924 7.662249 
1 1 1   26    2   23 o  145.528   4.5348  1356.42   83.704  1315.95  120.218  1394.51  116.616  143.386   6.6021  147.671   6.2185 -4.284546 9.069618 
1 1 1   26    2   24 o  147.430   4.5586  1396.24   85.130  1505.57  120.125  1285.93  120.660  153.298   6.1705  141.561   6.7119 11.73730 9.117235 
1 1 1   26    2   25 o  223.742   3.6573  3202.20  103.834  3131.65  143.431  3279.90  150.512  221.178   5.1065  226.305   5.2372 -5.127197 7.314693 
1 1 1   26    2   26 f  ?   ?  -760.1206   92.195 -677.9305  132.554 -837.1401  128.316  ?   ?   ?   ?       ?      ? 
1 1 1   26    2   27 o  212.853   3.9188  2916.28  105.772  2736.76  145.200  3119.25  154.391  205.887   5.5534  219.819   5.5307 -13.93195 7.837664 
1 1 1   26    2   28 o   39.205   11.652 -33.5996  118.076 -291.8690  172.278  195.198  162.151   27.815   13.705   50.595   18.847 -22.78015 23.30380 
1 1 1   26    4    0 o  734.014   8.4783 34232.52  790.297 34232.52  790.297   0.0000   0.0000  734.014   8.4783  ?   ?       ?      ? 
1 1 1   26    4    2 o  687.331   5.6889 29989.89  496.294 30787.64  716.346 29253.53  688.229  696.110   8.1034  678.552   7.9868 17.55872 11.37778 
1 1 1   26    4    3 o  1354.43   14.977 116732.70  2576.17 116732.70  2576.17   0.0000   0.0000  1354.43   14.977  ?   ?       ?      ? 
1 1 1   26    4    4 o  904.807   7.2182 52023.09  829.257 52692.16  1185.89 51382.89  1160.03  910.495   10.256  899.120   10.160 11.37433 14.43631 
1 1 1   26    4    5 o  1553.02   12.108 153599.20  2387.95 152979.80  3362.03 154229.80  3392.30  1549.87   17.082  1556.16   17.166 -6.295898 24.21659 
1 1 1   26    4    6 o  2053.02   15.959 269090.81  4160.56 271184.69  5928.69 267058.81  5840.15  2060.85   22.653  2045.19   22.486 15.65332 31.91862 
1 1 1   26    4    7 o  1168.31   9.1782 86845.81  1361.68 86442.83  1915.94 87257.13  1935.63  1165.57   12.944  1171.04   13.016 -5.463501 18.35642 
1 1 1   26    4    8 o  359.371   3.5483  8204.47  161.918  8308.81  228.474  8099.20  229.503  361.667   4.9745  357.074   5.0612 4.593628 7.096576 
1 1 1   26    4    9 o  273.934   3.2056  4761.58  111.429  4635.60  153.957  4900.17  161.482  270.134   4.4879  277.733   4.5785 -7.599060 6.411195 
1 1 1   26    4   10 o  407.482   3.7813 10551.20  195.658 10708.65  278.567 10397.90  274.873  410.482   5.3439  404.482   5.3513 6.000092 7.562611 
1 1 1   26    4   11 o  559.059   4.7314 19876.26  335.825 19598.39  468.626 20169.60  481.491  555.050   6.6484  563.067   6.7336 -8.016968 9.462716 
1 1 1   26    4   12 o  292.293   3.2379  5403.43  119.891  4992.03  163.114  5886.84  176.816  280.251   4.5832  304.334   4.5750 -24.08295 6.475813 
1 1 1   26    4   13 o  202.536   3.2136  2607.63   82.648  2562.79  116.782  2652.62  116.982  200.790   4.5799  204.283   4.5093 -3.492355 6.427250 
1 1 1   26    4   14 o  207.525   3.2429  2737.88   85.462  2750.05  121.240  2725.86  120.486  207.983   4.5903  207.067   4.5819 0.9165649 6.485755 
1 1 1   26    4   15 o  187.175   3.2582  2229.19   77.392  2153.03  110.106  2303.55  108.804  184.007   4.7119  190.342   4.5012 -6.335495 6.516403 
1 1 1   26    4   16 o  456.720   4.0993 13274.45  237.718 13098.82  332.539 13458.01  339.953  453.636   5.7724  459.803   5.8220 -6.167847 8.198532 
1 1 1   26    4   17 o  304.450   3.3680  5895.37  130.196  5746.95  182.705  6048.49  185.578  300.555   4.7868  308.345   4.7393 -7.790161 6.736058 
1 1 1   26    4   18 o  397.598   3.7898 10064.41  191.338  9920.69  268.562 10212.57  272.671  394.716   5.3577  400.480   5.3614 -5.763672 7.579593 
1 1 1   26    4   19 o   91.116   5.9310  534.571   68.132  598.443   95.374  468.006   97.364   96.759   7.7618   85.472   8.9701 11.28727 11.86204 
1 1 1   26    4   20 o  469.085   6.2044 14038.68  369.600 14038.68  369.600   0.0000   0.0000  469.085   6.2044  ?   ?       ?      ? 
1 1 1   26    4   21 o  140.048   4.5158  1252.27   80.298  1259.09  114.818  1245.74  112.340  140.414   6.4390  139.681   6.3332 0.7332001 9.031614 
1 1 1   26    4   22 o  154.889   4.1819  1530.07   82.078  1394.34  114.002  1676.16  118.267  147.741   6.0762  162.036   5.7474 -14.29523 8.363828 
1 1 1   26    4   23 o  363.279   3.7184  8426.33  171.538  8486.28  243.928  8367.68  241.278  364.553   5.2689  362.004   5.2484 2.548523 7.436888 
1 1 1   26    4   24 o   79.472   7.2295  414.328   72.470  463.483  101.797  363.815  103.193   84.424   9.4949   74.519   10.905 9.905464 14.45897 
1 1 1   26    4   25 o   87.345   7.0364  501.035   77.988  487.923  107.717  515.479  113.060   86.178   9.8426   88.513   10.058 -2.334282 14.07290 
1 1 1   26    4   26 o  143.605   6.7459  1372.44  116.854  1390.92  145.096  1338.32  197.126  145.941   7.8289  141.270   10.988 4.670929 13.49177 
1 1 1   26    4   27 o   45.026   13.103   93.401  126.545 -15.3742  189.979  180.154  169.661   39.640   17.868   50.413   19.170 -10.77295 26.20563 
1 1 1   26    4   28 o  135.971   8.5250  1331.73  143.106  1126.99  215.947  1492.06  191.091  124.503   13.658  147.439   10.206 -22.93542 17.04996 
1 1 1   26    6    0 o  362.423   3.8683  8304.98  176.963  8020.15  235.891  8671.62  267.630  355.352   5.2273  369.493   5.7036 -14.14120 7.736649 
1 1 1   26    6    1 o  234.361   3.7449  3421.50  110.127  3075.46  142.899  3927.61  172.817  220.051   5.1136  248.671   5.4725 -28.61969 7.489814 
1 1 1   26    6    2 o  751.459   6.1255 35878.66  584.511 36332.78  832.675 35437.50  820.701  756.145   8.6715  746.772   8.6540 9.373047 12.25100 
1 1 1   26    6    3 o  149.381   4.3488  1418.38   82.059  1426.42  110.666  1408.55  122.304  149.855   5.8152  148.907   6.4677 0.9479370 8.697555 
1 1 1   26    6    4 o  525.539   4.5586 17536.38  304.047 17300.61  421.442 17792.30  439.076  521.860   6.3592  529.217   6.5332 -7.356934 9.117184 
1 1 1   26    6    5 o  173.912   3.7311  1908.70   81.848  1820.81  108.602  2024.25  124.526  169.311   5.0510  178.513   5.4930 -9.202713 7.462293 
1 1 1   26    6    6 o  953.833   7.5838 57878.21  918.621 58070.86  1301.53 57686.97  1296.73  955.414   10.727  952.252   10.723 3.162476 15.16766 
1 1 1   26    6    7 o  377.599   4.6063  9008.85  207.786  9217.73  363.488  8907.46  253.244  380.772   7.5170  374.426   5.3259 6.345825 9.212573 
1 1 1   26    6    8 o  617.022   5.1497 24212.79  403.509 24299.79  569.902 24125.34  571.396  618.136   7.2600  615.908   7.3054 2.228943 10.29936 
1 1 1   26    6    9 o  620.121   7.2890 24467.72  574.010 24467.72  574.010   0.0000   0.0000  620.121   7.2890  ?   ?       ?      ? 
1 1 1   26    6   10 o  340.516   3.5491  7375.99  153.351  7534.32  214.117  7209.25  219.735  344.279   4.8974  336.752   5.1382 7.527527 7.098252 
1 1 1   26    6   11 o  564.769   4.7931 20299.36  343.763 20364.28  486.174 20234.45  486.134  565.674   6.7678  563.864   6.7890 1.809998 9.586104 
1 1 1   26    6   12 o   71.852   6.3502  329.619   57.172  331.547   75.109  326.964   88.154   72.128   8.2000   71.576   9.6984 0.5524368 12.70036 
1 1 1   26    6   13 o  331.508   3.4311  6987.69  144.316  6979.60  199.826  6996.51  208.646  331.318   4.7493  331.699   4.9532 -0.3810120 6.862240 
1 1 1   26    6   14 o  114.411   4.5636  828.082   65.680  796.412   86.412  871.408  101.072  111.855   6.0833  116.967   6.8044 -5.111595 9.127224 
1 1 1   26    6   15 o  299.318   3.3643  5695.96  127.839  5607.35  178.081  5790.17  183.628  296.921   4.7228  301.715   4.7925 -4.794159 6.728533 
1 1 1   26    6   16 o  183.508   3.5722  2150.49   82.951  2282.51  115.080  2007.72  119.674  189.412   4.7843  177.605   5.3060 11.80722 7.144438 
1 1 1   26    6   17 o   40.120   9.7097   96.164   59.605  107.790   78.859   80.672   91.032   41.316   13.261   38.924   14.187 2.392059 19.41942 
1 1 1   26    6   18 o  109.794   5.0231  774.589   69.585  844.956   96.356  697.890  100.599  115.081   6.5932  104.507   7.5800 10.57375 10.04623 
1 1 1   26    6   20 o  238.617   3.4597  3626.66  104.829  3590.45  147.087  3664.05  149.442  237.409   4.8787  239.825   4.9068 -2.416458 6.919416 
1 1 1   26    6   21 o  100.926   5.5786  652.005   71.428  627.352   98.363  679.508  103.893   98.919   7.8302  102.934   7.9479 -4.014824 11.15711 
1 1 1   26    6   22 o  268.220   3.4435  4588.56  117.278  4546.91  164.429  4631.68  167.322  266.986   4.8497  269.453   4.8898 -2.466980 6.886901 
1 1 1   26    6   23 o   60.248   9.1690  254.130   67.622  285.253   86.244  204.460  108.951   66.154   10.266   54.341   15.195 11.81326 18.33792 
1 1 1   26    6   24 o   30.014   9.0609   2.1237   62.686   41.897   77.216 -74.7610  107.358   32.114   12.728   27.914   12.900 4.200062 18.12188 
1 1 1   26    6   25 o  256.112   6.1034  4181.82  194.426  5590.96  301.112  3174.25  254.618  292.584   8.1040  219.641   9.1285 72.94336 12.20672 
1 1 1   26    6   26 o  158.254   6.3700  1654.16  127.408  1894.59  186.883  1445.37  174.154  169.177   8.6986  147.331   9.3081 21.84647 12.73998 
1 1 1   26    6   27 o   66.600   12.569  387.257  123.733  153.777  195.479  543.336  159.826   48.392   19.864   84.809   15.407 -36.41735 25.13868 
1 1 1   26    8    0 o  742.836   6.1118 35062.43  576.444 35897.94  824.260 34262.61  806.461  751.495   8.6369  734.177   8.6498 17.31799 12.22356 
1 1 1   26    8    1 o  180.685   4.1772  2041.14   94.006  1916.66  120.128  2237.80  150.991  173.699   5.4459  187.672   6.3354 -13.97308 8.354357 
1 1 1   26    8    2 o  455.369   4.2751 13177.00  246.653 13202.14  337.732 13148.28  361.078  455.844   5.8342  454.893   6.2505 0.9511414 8.550204 
1 1 1   26    8    3 o  539.758   4.7443 18512.23  324.826 18430.82  448.294 18602.21  471.316  538.520   6.5552  540.995   6.8603 -2.474854 9.488594 
1 1 1   26    8    4 o  256.185   3.5445  4188.02  113.882  4292.21  150.738  4049.48  173.823  259.927   4.5666  252.443   5.4221 7.484177 7.088941 
1 1 1   26    8    5 o  149.442   4.2066  1386.09   78.739  1223.93  101.613  1629.79  124.570  138.765   5.7662  160.118   6.1263 -21.35262 8.413116 
1 1 1   26    8    6 o  101.316   5.4833  645.893   69.284  616.472   89.011  691.123  110.362   98.440   7.1203  104.193   8.3407 -5.753143 10.96659 
1 1 1   26    8    7 o  184.603   4.7950  2166.00  112.410  2166.00  112.410   0.0000   0.0000  184.603   4.7950  ?   ?       ?      ? 
1 1 1   26    8    8 o  268.587   4.0609  4604.01  129.780  4634.88  158.282  4540.69  226.704  270.039   4.6156  267.134   6.6827 2.905426 8.121710 
1 1 1   26    8    9 o  276.435   3.4301  4843.40  119.665  4733.32  159.724  4984.24  180.668  272.882   4.6091  279.989   5.0812 -7.106964 6.860195 
1 1 1   26    8   10 o  311.540   3.5162  6178.63  138.523  6256.67  188.113  6086.17  204.746  313.712   4.7218  309.367   5.2115 4.345428 7.032451 
1 1 1   26    8   11 o  338.261   3.6058  7278.28  154.262  7294.41  209.061  7259.00  228.561  338.697   4.8605  337.826   5.3276 0.8713684 7.211662 
1 1 1   26    8   12 o  418.902   3.9574 11164.83  210.448 11578.28  299.181 10759.91  296.080  426.590   5.5226  411.215   5.6697 15.37451 7.914868 
1 1 1   26    8   13 o  286.884   3.3717  5232.98  122.453  5215.00  166.568  5254.12  180.636  286.366   4.5803  287.401   4.9492 -1.035156 6.743438 
1 1 1   26    8   14 o  208.936   3.4172  2766.47   90.005  2692.99  119.538  2862.66  136.766  205.766   4.5746  212.107   5.0775 -6.341217 6.834323 
1 1 1   26    8   15 o  278.112   3.3800  4925.58  118.965  4971.67  162.080  4871.74  175.165  279.549   4.5655  276.674   4.9854 2.875000 6.760076 
1 1 1   26    8   16 f  385.547   4.7286  9505.48  214.817  9544.48  259.614  9420.80  382.549  387.142   5.2806  383.952   7.8457 3.189636 9.457238 
1 1 1   26    8   17 f  180.089   3.7952  2077.36   86.246  2196.06  117.772  1940.08  126.652  185.707   4.9939  174.471   5.7162 11.23584 7.590400 
1 1 1   26    8   18 o  177.590   5.4034  2010.09  121.860  2010.09  121.860   0.0000   0.0000  177.590   5.4034  ?   ?       ?      ? 
1 1 1   26    8   19 o   37.260   9.3244   74.171   61.315  127.351   74.212 -40.2173  108.842   43.795   12.641   30.724   13.711 13.07064 18.64887 
1 1 1   26    8   20 o  248.701   3.6209  3949.76  113.355  3985.48  151.028  3903.67  171.542  250.065   4.7558  247.337   5.4614 2.727478 7.241881 
1 1 1   26    8   21 o  253.391   3.5580  4114.33  113.201  4215.60  150.333  3981.70  172.033  257.112   4.6042  249.670   5.4258 7.442459 7.116056 
1 1 1   26    8   22 o  106.438   5.4529  754.806   65.962  788.756   78.614  674.049  121.246  111.005   5.5767  101.871   9.3721 9.133881 10.90578 
1 1 1   26    8   23 o   77.216   12.645  428.668  122.510  329.681  166.156  546.584  181.349   66.974   18.778   87.458   16.940 -20.48433 25.29007 
1 1 1   26    8   24 o  293.715   5.9829  5518.35  220.538  6681.21  343.840  4705.61  287.455  319.371   8.4778  268.058   8.4443 51.31329 11.96574 
1 1 1   26    8   25 f  203.589   6.0958  2742.61  157.571  2704.86  223.971  2779.61  221.723  202.100   8.7267  205.077   8.5136 -2.977234 12.19166 
1 1 1   26    8   26 o   40.922   12.383   14.735  126.547 -167.6658  184.756  175.930  173.685   32.623   15.625   49.221   19.216 -16.59774 24.76677 
1 1 1   26   10    0 o  373.225   4.2753  8948.91  177.669  9049.67  207.090  8667.95  345.814  377.380   4.3212  369.070   7.3783 8.310181 8.550553 
1 1 1   26   10    1 o  126.410   4.7998  986.315   68.738  951.672   80.029  1083.75  134.217  122.356   5.1505  130.464   8.1010 -8.107346 9.599665 
1 1 1   26   10    2 o  138.601   5.2088  1242.22   88.265  1301.14  112.228  1146.67  142.913  143.028   6.1788  134.174   8.3874 8.853409 10.41756 
1 1 1   26   10    3 o  369.490   4.5006  8812.49  202.259  9157.99  254.812  8224.07  332.537  379.530   5.2868  359.450   7.2849 20.08029 9.001137 
1 1 1   26   10    4 f  165.383   4.2611  1708.09   87.784  1588.60  112.074  1897.79  141.206  158.055   5.5836  172.710   6.4381 -14.65546 8.522101 
1 1 1   26   10    5 o  338.399   3.8483  7292.10  163.432  7349.12  215.702  7215.26  250.418  339.994   4.9958  336.804   5.8548 3.189514 7.696532 
1 1 1   26   10    6 o  140.546   4.8865  1285.90   82.729  1355.48  103.527  1162.96  137.607  145.987   5.5842  135.104   8.0204 10.88297 9.772910 
1 1 1   26   10    7 o  492.803   5.4866 15517.20  331.324 15301.06  543.506 15645.02  417.966  489.842   8.7372  495.765   6.6388 -5.923615 10.97322 
1 1 1   26   10    8 o  271.852   4.0847  4688.55  132.637  4662.45  161.863  4741.91  231.415  270.796   4.7068  272.908   6.6772 -2.112488 8.169436 
1 1 1   26   10    9 o  220.869   3.7575  3077.05  102.565  2993.45  129.972  3215.04  166.985  216.969   4.7171  224.769   5.8501 -7.799484 7.514962 
1 1 1   26   10   10 o  219.544   3.7512  3050.79  101.729  3000.19  129.107  3133.65  165.212  217.203   4.6806  221.885   5.8632 -4.681091 7.502391 
1 1 1   26   10   11 o   67.958   9.0492  339.614   66.645  385.165   78.883  226.010  124.574   77.694   7.9950   58.222   16.237 19.47163 18.09831 
1 1 1   26   10   12 o  214.067   3.7250  2925.71   97.777  2952.30  123.481  2881.01  160.100  215.442   4.5133  212.693   5.9274 2.749817 7.450047 
1 1 1   26   10   13 o  450.544   4.2420 12895.68  241.413 12587.24  323.382 13283.95  362.831  444.544   5.7283  456.544   6.2581 -11.99991 8.483928 
1 1 1   26   10   14 o  384.726   3.9104  9418.96  189.993  9338.53  255.084  9519.19  284.737  382.945   5.2453  386.507   5.8011 -3.561707 7.820847 
1 1 1   26   10   15 o  165.337   5.2478  1850.10   96.269  1979.28  113.945  1527.93  179.954  176.294   5.0896  154.381   9.1789 21.91273 10.49554 
1 1 1   26   10   16 o  173.612   5.6260  2055.65  107.616  2209.38  127.131  1667.04  202.132  186.193   5.3766  161.032   9.8843 25.16119 11.25200 
1 1 1   26   10   17 o   66.585   10.372  325.543   66.702  342.558   72.887  237.844  165.470   73.141   7.8471   60.030   19.203 13.11071 20.74426 
1 1 1   26   10   18 o  144.044   5.6443  1385.51   60.671  1399.22   63.982  1263.17  191.090  148.312   3.3970  139.776   10.765 8.535645 11.28857 
1 1 1   26   10   19 o   98.231   7.6578  633.818   44.303  634.851   45.668  617.287  182.603   99.869   3.6008   96.593   14.886 3.275948 15.31553 
1 1 1   26   10   20 o  111.151   8.9078  832.765  122.347  650.956  178.956  992.324  167.648   98.931   14.244  123.371   10.701 -24.43989 17.81559 
1 1 1   26   10   21 o   75.849   13.102  413.816  125.121  366.205  170.242  469.745  184.513   71.041   18.638   80.658   18.418 -9.617378 26.20304 
1 1 1   26   10   22 o  107.211   10.696  819.310  137.493  675.591  206.738  933.290  184.111   96.577   17.501  117.845   12.302 -21.26810 21.39235 
1 1 1   26   10   23 o   37.999   12.508 -203.0856  158.532   35.829  216.297 -480.4069  233.034   45.203   19.785   30.794   15.309 14.40846 25.01569 
1 1 1   26   10   24 o   52.187   20.142  196.676  189.141   0.0000   0.0000  196.676  189.141  ?   ?    52.187   20.142      ?      ? 
1 1 1   26   12    0 o  376.079   4.3231  8891.33  178.209  8787.08  204.876  9215.40  361.233  371.804   4.3391  380.354   7.4786 -8.550079 8.646245 
1 1 1   26   12    1 o  249.713   3.8446  3950.90  107.664  3933.62  125.492  3999.10  209.562  248.783   3.9721  250.643   6.5838 -1.859818 7.689219 
1 1 1   26   12    2 o  240.836   3.9145  3750.41  103.744  3813.63  120.366  3567.73  204.595  244.962   3.8692  236.709   6.8062 8.253235 7.829098 
1 1 1   26   12    3 o  250.203   3.8593  3933.07  107.984  3879.59  125.389  4086.59  212.453  247.060   3.9965  253.346   6.6034 -6.286560 7.718634 
1 1 1   26   12    4 o  185.591   4.2736  2250.32   85.333  2304.49   98.157  2082.68  172.675  190.406   4.0594  180.776   7.5216 9.630264 8.547153 
1 1 1   26   12    5 f  181.609   4.1772  2122.19   83.282  2145.56   96.365  2053.24  165.539  183.715   4.1304  179.502   7.2619 4.212723 8.354409 
1 1 1   26   12    6 o  660.209   6.3470 27866.07  460.291 27896.47  531.515 27774.92  920.496  661.882   6.3235  658.535   11.007 3.346680 12.69403 
1 1 1   26   12    7 o  325.784   4.0467  6777.73  143.735  6798.63  165.424  6713.31  290.371  327.021   3.9833  324.547   7.0453 2.474091 8.093396 
1 1 1   26   12    8 o  345.133   4.3640  7445.54  176.345  7231.82  210.344  7951.06  323.504  337.150   4.9128  353.117   7.2141 -15.96722 8.728074 
1 1 1   26   12    9 o  260.108   3.9085  4370.24  109.310  4427.14  125.331  4189.41  223.444  263.888   3.7399  256.329   6.8643 7.558136 7.816967 
1 1 1   26   12   10 o  188.725   4.0187  2207.49   79.180  2162.97   88.972  2377.00  173.616  184.437   3.7986  193.014   7.0831 -8.576706 8.037428 
1 1 1   26   12   11 o  193.900   4.2348  2474.24   82.989  2528.06   93.178  2267.73  182.521  199.393   3.6798  188.407   7.6285 10.98676 8.469651 
1 1 1   26   12   12 o  159.245   4.9342  1679.26   76.741  1715.49   85.278  1525.02  175.961  164.214   4.0893  154.276   8.9813 9.938293 9.868483 
1 1 1   26   12   13 o  585.161   6.3545 19407.75  389.156 17709.78  432.212 26678.91  894.403  526.786   6.4608  643.537   10.944 -116.7506 12.70890 
1 1 1   26   12   14 o  172.702   4.7586  2020.42   78.215  2085.26   86.576  1732.48  182.432  181.051   3.7655  164.354   8.7406 16.69687 9.517217 
1 1 1   26   12   15 o   88.065   7.6646  437.186   52.866  421.651   55.527  587.708  172.838   81.320   5.3768   94.810   14.355 -13.48907 15.32913 
1 1 1   26   12   16 o  314.979   4.3044  6469.65  139.322  6566.13  157.041  6113.03  301.924  321.182   3.8502  308.775   7.6998 12.40646 8.608744 
1 1 1   26   12   17 o  169.221   6.4594  1847.43  138.632  1724.50  194.166  1975.26  198.000  163.414   9.3564  175.029   8.9080 -11.61514 12.91872 
1 1 1   26   12   18 o  133.322   7.7362  1164.79  130.193  1117.65  192.531  1204.51  176.723  130.596   11.609  136.049   10.229 -5.452499 15.47237 
1 1 1   26   12   19 o   98.541   11.236  665.519  134.542  862.055  199.411  501.296  182.283  113.328   13.856   83.755   17.692 29.57304 22.47236 
1 1 1   26   12   20 o  144.463   12.091  1398.16  221.813   0.0000   0.0000  1398.16  221.813  ?   ?   144.463   12.091      ?      ? 
1 1 1   26   14    0 o  217.069   4.2270  2979.65  102.761  2956.39  119.594  3045.27  200.875  215.609   4.3678  218.528   7.2384 -2.919235 8.454094 
1 1 1   26   14    1 o  243.007   4.1385  3710.67  113.346  3653.96  132.156  3868.45  220.427  239.698   4.3416  246.316   7.0469 -6.617432 8.276910 
1 1 1   26   14    2 o  257.928   4.0595  4230.38  118.280  4223.44  138.554  4249.03  227.111  257.705   4.2337  258.150   6.9277 -0.4450989 8.118924 
1 1 1   26   14    3 f  367.817   4.3505  8842.02  180.667  9124.96  213.471  8127.70  339.181  378.755   4.4382  356.880   7.4840 21.87537 8.700973 
1 1 1   26   14    4 o  296.452   4.1591  5556.64  135.214  5515.99  155.660  5681.59  272.919  294.500   4.1621  298.405   7.2020 -3.905029 8.318137 
1 1 1   26   14    5 o  296.227   4.1040  5514.02  133.502  5440.06  153.567  5742.87  270.129  292.457   4.1348  299.997   7.0905 -7.539551 8.208050 
1 1 1   26   14    6 o  286.135   4.0778  5158.54  127.959  5102.45  147.184  5332.15  258.949  283.229   4.0921  289.040   7.0547 -5.810913 8.155600 
1 1 1   26   14    7 o  160.513   5.4704  1747.53   88.255  1819.46   99.480  1481.68  191.252  169.079   4.6331  151.946   9.9115 17.13248 10.94087 
1 1 1   26   14    8 f  152.313   5.6417  1371.21   83.485  1314.06   91.256  1664.55  206.755  143.653   5.0023  160.973   10.114 -17.31981 11.28345 
1 1 1   26   14    9 o  244.400   8.1593  3823.08  253.241   0.0000   0.0000  3823.08  253.241  ?   ?   244.400   8.1593      ?      ? 
1 1 1   26   14   10 o  138.674   6.3777  1204.54   99.701  1171.39  115.984  1298.38  195.130  135.425   6.7441  141.922   10.827 -6.497086 12.75539 
1 1 1   26   14   11 o   50.469   11.340  154.056   64.915  153.192   70.149  159.204  171.274   47.744   11.668   53.195   19.449 -5.451363 22.68041 
1 1 1   26   14   12 f   77.037   9.7610  428.752   62.959  442.164   67.944  347.273  167.470   83.193   6.4311   70.880   18.432 12.31273 19.52198 
1 1 1   26   14   13 o   36.334   10.272   59.399   57.089   75.224   60.725 -61.0145  167.508   34.938   11.664   37.731   16.911 -2.792942 20.54324 
1 1 1   26   14   14 o  139.934   5.7716  1190.29   63.793  1171.91   67.350  1350.59  198.908  135.654   3.9096  144.213   10.861 -8.558746 11.54320 
1 1 1   26   14   15 o  165.137   4.8237  1672.95   64.654  1650.60   68.555  1852.74  194.435  161.025   3.3525  169.250   9.0462 -8.225693 9.647442 
1 1 1   26   14   16 o  165.495   8.5504  1774.01  179.699   0.0000   0.0000  1774.01  179.699  ?   ?   165.495   8.5504      ?      ? 
1 1 1   26   16    0 f  132.664   6.5035  988.900  102.151  752.817  120.815  1580.86  191.309  108.393   8.7769  156.934   9.5993 -48.54167 13.00696 
1 1 1   26   16    1 o  310.772   5.1246  6087.97  197.552  5802.88  251.033  6551.73  320.176  301.523   6.5559  320.021   7.8783 -18.49759 10.24927 
1 1 1   26   16    2 o  410.982   5.1076 10874.26  251.376 11039.85  309.264 10551.86  431.533  416.084   5.8529  405.881   8.3722 10.20316 10.21517 
1 1 1   26   16    3 o   82.856   11.154  551.192  105.707  720.954  130.560  228.152  180.102  105.917   9.7066   59.796   20.086 46.12079 22.30860 
1 1 1   26   16    4 o  344.322   4.7111  7499.59  192.191  7374.03  232.202  7772.73  342.470  340.138   5.3757  348.506   7.7381 -8.367920 9.422124 
1 1 1   26   16    5 o  173.546   5.3424  1901.33  100.350  1878.15  114.704  1976.95  207.175  171.664   5.2616  175.428   9.2995 -3.763596 10.68486 
1 1 1   26   16    6 o  348.315   4.4598  7730.11  169.751  7714.04  195.363  7779.63  342.942  348.072   4.4197  348.558   7.7476 -0.4853821 8.919606 
1 1 1   26   16    7 o  155.807   5.6118  1602.61   92.710  1643.53  106.078  1470.24  190.773  160.560   5.2025  151.054   9.9450 9.506348 11.22360 
1 1 1   26   16    8 o  150.158   5.7330  1452.22   92.340  1456.99  105.549  1436.66  190.629  151.111   5.5002  149.205   10.061 1.906479 11.46603 
1 1 1   26   16    9 o  132.632   5.5097  1000.63   81.144  883.176   92.147  1406.25  171.238  117.538   6.1734  147.725   9.1279 -30.18673 11.01946 
1 1 1   26   16   10 o  301.062   4.2930  5799.59  138.439  5801.92  157.998  5791.91  287.257  301.777   4.1228  300.347   7.5313 1.429962 8.585903 
1 1 1   26   16   11 o   48.145   11.513   78.328   67.183   39.344   72.973  295.145  172.095   31.494   12.408   64.795   19.398 -33.30036 23.02687 
1 1 1   26   16   12 o   97.491   5.8529  608.877   72.462  608.877   72.462   0.0000   0.0000   97.491   5.8529  ?   ?       ?      ? 
1 1 1   26   16   13 o  110.330   5.1627  779.222   72.335  779.222   72.335   0.0000   0.0000  110.330   5.1627  ?   ?       ?      ? 
1 1 1   26   18    0 o  235.288   4.8499  3539.18  128.062  3531.08  149.470  3561.52  248.327  235.266   5.0028  235.311   8.3101 -0.4415894E-01 9.699780 
1 1 1   26   18    1 o  169.319   5.7080  1815.23  110.496  1779.75  129.913  1908.03  210.105  166.817   6.1325  171.821   9.6290 -5.004517 11.41602 
1 1 1   26   18    2 o  297.905   4.4345  5744.32  151.268  5833.53  179.551  5526.16  280.787  302.449   4.6748  293.361   7.5370 9.087616 8.868999 
1 1 1   26   18    3 f  171.855   5.2859  1842.12  105.519  1765.46  124.808  2034.23  197.583  166.140   5.9155  177.571   8.7619 -11.43097 10.57187 
1 1 1   26   18    4 o  116.676   7.4426  915.515   95.914  950.021  112.323  822.616  184.302  121.606   7.2733  111.747   12.987 9.859123 14.88521 
1 1 1   26   18    5 o  184.989   4.9428  2175.34  103.275  2148.41  120.710  2248.91  199.487  183.355   5.1841  186.622   8.4173 -3.267227 9.885630 
1 1 1   26   18    6 o  248.049   4.3575  3884.09  119.816  3821.03  138.446  4072.23  239.143  244.680   4.4556  251.418   7.4900 -6.738235 8.715087 
1 1 1   26   18    7 o  174.103   6.2101  1945.95  137.304  1945.95  137.304   0.0000   0.0000  174.103   6.2101  ?   ?       ?      ? 
1 1 1   26   18    8 o  240.590   5.1408  3706.39  157.068  3706.39  157.068   0.0000   0.0000  240.590   5.1408  ?   ?       ?      ? 
1 1 1   26   18    9 f  125.617   7.1766  1020.49  114.484  1020.49  114.484   0.0000   0.0000  125.617   7.1766  ?   ?       ?      ? 
1 1 1   26   18   10 o   95.687   7.9162  596.188   96.193  596.188   96.193   0.0000   0.0000   95.687   7.9162  ?   ?       ?      ? 
1 1 1   26   20    0 o   31.495   11.186 -290.2630  108.241 -312.4789  118.178 -174.5769  269.679   20.953   10.491   42.036   19.760 -21.08271 22.37255 
1 1 1   26   20    1 o  ?   ?  -802.2536  139.332 -802.2536  139.332   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   26   20    2 o  190.604   6.6364  2351.42  160.637  2351.42  160.637   0.0000   0.0000  190.604   6.6364  ?   ?       ?      ? 
1 1 1   26   20    3 o  189.515   6.4996  2324.63  156.426  2324.63  156.426   0.0000   0.0000  189.515   6.4996  ?   ?       ?      ? 
1 1 1   26   20    4 o  ?   ?  -509.8515  130.609 -509.8515  130.609   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   26   20    5 o   21.906   11.054 -435.8666  145.167 -435.8666  145.167   0.0000   0.0000   21.906   11.054  ?   ?       ?      ? 
1 1 1   26   20    6 o   66.128   16.261  329.133  135.598  329.133  135.598   0.0000   0.0000   66.128   16.261  ?   ?       ?      ? 
1 1 1   26   20    7 o   82.945   12.626  478.930  132.993  478.930  132.993   0.0000   0.0000   82.945   12.626  ?   ?       ?      ? 
1 1 1   27    1    0 o  1014.97   8.0358 65483.93  1035.72 65832.24  1472.69 65143.05  1456.89  1017.64   11.396  1012.30   11.333 5.334290 16.07161 
1 1 1   27    1    1 o  611.916   5.1538 23767.90  400.280 23231.85  555.141 24348.40  577.694  604.737   7.2287  619.094   7.3479 -14.35687 10.30755 
1 1 1   27    1    3 o  550.919   4.7363 19264.67  331.197 19753.39  477.787 18812.63  459.514  557.638   6.7469  544.201   6.6491 13.43744 9.472650 
1 1 1   27    1    4 o  1934.07   15.026 238471.20  3689.69 241559.70  5285.50 235535.50  5153.05  1946.23   21.385  1921.91   21.113 24.31567 30.05156 
1 1 1   27    1    5 o  1029.56   8.1351 67388.23  1063.57 66909.73  1493.83 67880.13  1514.62  1025.86   11.467  1033.26   11.543 -7.403198 16.27029 
1 1 1   27    1    6 o  2331.06   18.117 347382.81  5362.89 345043.91  7534.43 349784.50  7635.11  2323.16   25.538  2338.96   25.705 -15.80005 36.23463 
1 1 1   27    1    7 o  834.522   6.6889 44262.28  708.832 44590.52  1009.44 43942.98  995.581  837.571   9.4903  831.473   9.4287 6.098145 13.37784 
1 1 1   27    1    8 o  1469.32   11.471 137550.00  2139.88 135787.50  2987.48 139407.09  3066.55  1459.69   16.116  1478.94   16.328 -19.25562 22.94179 
1 1 1   27    1    9 o  1344.06   10.530 115188.00  1797.12 116276.40  2565.01 114138.70  2518.64  1350.27   14.959  1337.85   14.825 12.41736 21.06006 
1 1 1   27    1   10 o  460.464   4.0845 13434.15  238.377 14129.92  350.805 12837.30  324.913  471.500   5.8588  449.428   5.6928 22.07150 8.169064 
1 1 1   27    1   11 o  491.459   4.2792 15358.43  267.072 15346.44  377.551 15370.44  377.843  491.267   6.0518  491.651   6.0517 -0.3840332 8.558431 
1 1 1   27    1   12 o  492.738   4.2904 15429.80  268.317 15817.36  387.402 15072.49  371.982  498.673   6.1174  486.804   6.0171 11.86957 8.580720 
1 1 1   27    1   13 f  380.136   3.6193  9186.68  174.708  9104.01  245.175  9271.96  249.018  378.401   5.1021  381.872   5.1349 -3.471008 7.238698 
1 1 1   27    1   14 o  370.338   3.5797  8719.71  168.335  8624.26  235.850  8818.82  240.335  368.275   5.0430  372.402   5.0819 -4.126587 7.159432 
1 1 1   27    1   15 o  405.809   3.7831 10474.93  194.937 10536.27  278.091 10415.67  273.336  406.973   5.3808  404.645   5.3192 2.327179 7.566130 
1 1 1   27    1   16 o  321.905   3.3740  6590.46  137.920  6593.26  196.165  6587.71  193.951  321.970   4.7976  321.840   4.7454 0.1297913 6.748064 
1 1 1   27    1   17 o  480.288   4.2393 14690.60  258.568 14653.38  365.710 14727.80  365.630  479.677   6.0036  480.898   5.9870 -1.220490 8.478642 
1 1 1   27    1   18 o  371.397   3.6506  8770.46  172.062  9056.58  249.080  8509.32  237.964  377.177   5.2002  365.617   5.1252 11.55988 7.301298 
1 1 1   27    1   19 o  214.745   3.5742  2929.81   97.331  3158.31  141.099  2722.38  134.437  222.723   4.9886  206.766   5.1199 15.95613 7.148412 
1 1 1   27    1   21 o  360.931   3.7657  8303.40  172.601  8242.14  243.346  8365.42  244.850  359.590   5.3289  362.271   5.3222 -2.680969 7.531450 
1 1 1   27    1   22 o  422.591   4.0011 11397.05  214.717 11340.70  302.737 11454.09  304.585  421.541   5.6552  423.641   5.6615 -2.099731 8.002123 
1 1 1   27    1   23 f  284.982   3.5527  5179.04  128.529  5044.78  178.887  5322.31  184.792  281.171   5.0099  288.793   5.0387 -7.622070 7.105480 
1 1 1   27    1   24 o  271.944   3.5649  4726.13  123.103  4652.89  173.041  4801.19  175.165  269.807   5.0503  274.080   5.0326 -4.272186 7.129714 
1 1 1   27    1   25 o   65.343   9.6573  296.890   79.453  405.062  114.051  194.896  110.747   78.095   11.500   52.592   15.518 25.50251 19.31462 
1 1 1   27    1   26 o  270.909   4.2836  4738.06  147.339  4712.91  210.198  4762.35  206.588  270.151   6.1269  271.667   5.9881 -1.515167 8.567213 
1 1 1   27    1   27 o  108.082   6.0536  774.300   83.060  757.333  118.044  790.938  116.893  106.835   8.7007  109.330   8.4192 -2.494423 12.10722 
1 1 1   27    1   28 o   47.026   11.464  169.595   92.217  240.247  113.905   35.196  157.101   55.539   15.539   38.513   16.859 17.02664 22.92764 
1 1 1   27    3    1 o  1013.60   8.0430 65201.68  1033.95 67454.04  1509.56 63211.25  1419.08  1030.04   11.540  997.159   11.206 32.88440 16.08605 
1 1 1   27    3    2 o  1382.95   10.810 121706.50  1898.52 122262.30  2696.17 121160.00  2673.78  1386.07   15.317  1379.82   15.259 6.250610 21.62072 
1 1 1   27    3    3 o  346.034   3.6518  7605.45  160.430  7627.97  224.476  7581.95  229.368  346.558   5.1005  345.509   5.2275 1.049225 7.303601 
1 1 1   27    3    4 o  1816.97   17.277 212192.50  3794.90 215289.09  4714.84 206495.91  6394.82  1837.62   20.204  1796.33   28.033 41.28455 34.55466 
1 1 1   27    3    5 o  1863.39   14.490 221445.50  3428.80 221925.09  4856.87 220968.91  4841.27  1865.40   20.503  1861.38   20.481 4.014038 28.97956 
1 1 1   27    3    6 o  1593.27   12.414 161724.91  2511.38 160214.20  3518.09 163294.59  3586.15  1585.71   17.471  1600.82   17.640 -15.11719 24.82744 
1 1 1   27    3    7 o  552.403   4.6834 19362.04  328.239 18835.03  452.478 19947.44  476.884  544.483   6.5439  560.323   6.7019 -15.84021 9.366832 
1 1 1   27    3    8 o  576.814   4.8519 21141.80  355.371 21005.90  498.355 21282.39  506.895  574.931   6.8257  578.697   6.8975 -3.766357 9.703851 
1 1 1   27    3    9 o  528.027   4.5205 17722.12  303.123 17793.43  429.017 17651.03  428.345  529.088   6.3851  526.966   6.4008 2.122742 9.041003 
1 1 1   27    3   10 o  415.348   3.8211 10963.01  201.525 11120.76  287.689 10811.03  282.384  418.280   5.4160  412.416   5.3917 5.864044 7.642209 
1 1 1   27    3   11 o   31.410   8.7979   33.296   52.289   23.294   74.451   43.031   73.455   30.383   12.340   32.437   12.543 -2.054180 17.59571 
1 1 1   27    3   12 o  355.858   3.5109  8048.95  158.645  8177.62  226.235  7924.47  222.526  358.655   4.9671  353.060   4.9631 5.594604 7.021745 
1 1 1   27    3   13 o  483.868   4.2387 14894.02  260.449 14769.63  366.230 15021.31  370.467  481.826   5.9853  485.910   6.0037 -4.084961 8.477487 
1 1 1   27    3   14 o  380.414   3.6431  9203.47  175.984  9186.78  247.383  9220.57  250.402  380.068   5.1254  380.760   5.1786 -0.6921082 7.286108 
1 1 1   27    3   15 o  314.108   3.3453  6270.93  133.397  6058.50  186.421  6493.83  190.966  308.657   4.7560  319.559   4.7057 -10.90198 6.690535 
1 1 1   27    3   16 o  147.323   3.8773  1380.84   72.521  1427.05  103.506  1336.28  101.639  149.746   5.4429  144.900   5.5235 4.845413 7.754647 
1 1 1   27    3   17 o  270.184   3.2656  4643.59  112.042  4619.05  157.523  4668.71  159.396  269.463   4.6033  270.904   4.6332 -1.441559 6.531242 
1 1 1   27    3   18 o  305.889   3.3808  5954.47  131.323  5875.88  184.798  6034.65  186.655  303.849   4.7892  307.929   4.7732 -4.080048 6.761632 
1 1 1   27    3   19 o  146.649   4.4503  1370.59   82.778  1392.57  120.467  1350.92  113.936  147.749   6.4205  145.549   6.1642 2.199860 8.900544 
1 1 1   27    3   20 o  170.524   4.6126  1856.93   99.861  1887.41  140.438  1825.77  142.026  171.953   6.4313  169.096   6.6139 2.856995 9.225246 
1 1 1   27    3   21 o  248.538   3.5908  3937.04  113.307  3916.82  161.759  3956.52  158.764  247.900   5.1382  249.176   5.0173 -1.275162 7.181530 
1 1 1   27    3   22 o  248.901   3.5735  3950.35  112.943  3881.85  158.729  4020.60  160.742  246.713   5.0662  251.089   5.0411 -4.375854 7.146972 
1 1 1   27    3   23 o  108.717   5.6787  760.168   78.288  704.985  109.028  818.906  112.486  104.615   8.2067  112.819   7.8512 -8.204445 11.35743 
1 1 1   27    3   24 o  339.061   3.6679  7340.01  157.724  7068.51  216.360  7647.93  230.413  332.414   5.1253  345.707   5.2483 -13.29379 7.335785 
1 1 1   27    3   25 o  140.869   4.9354  1283.19   88.233  1280.61  122.552  1285.98  127.135  140.766   6.8556  140.971   7.1016 -0.2049713 9.870749 
1 1 1   27    3   26 o   90.613   7.7270  551.551   88.601  493.572  123.449  613.144  127.239   85.497   11.370   95.728   10.466 -10.23161 15.45391 
1 1 1   27    3   27 o  182.743   6.2962  2223.16  145.342  2271.18  217.831  2184.62  195.127  184.101   9.3172  181.385   8.4711 2.716110 12.59242 
1 1 1   27    3   28 o  215.448   6.1236  3096.85  166.278  3371.44  254.658  2892.78  219.537  223.221   8.9835  207.675   8.3243 15.54617 12.24728 
1 1 1   27    5    0 o  213.425   3.8391  2902.84  103.635  3030.83  142.366  2758.57  151.151  218.449   5.1319  208.401   5.7113 10.04866 7.678243 
1 1 1   27    5    1 o  670.718   5.5663 28580.66  474.072 28470.24  665.164 28694.65  675.841  669.404   7.8246  672.032   7.9191 -2.628052 11.13270 
1 1 1   27    5    2 o  1079.68   10.473 73911.55  1347.43 74981.16  2363.75 73396.68  1639.97  1085.03   17.155  1074.33   12.020 10.69348 20.94691 
1 1 1   27    5    3 o  794.577   6.4242 40124.23  648.231 40192.09  915.995 40056.17  917.482  795.251   9.0701  793.903   9.1002 1.348206 12.84837 
1 1 1   27    5    4 o  1183.73   9.3025 89149.62  1398.38 89026.45  1973.38 89273.84  1981.87  1182.91   13.136  1184.55   13.175 -1.635376 18.60494 
1 1 1   27    5    5 o  648.703   5.3753 26722.15  442.636 27359.20  637.426 26128.88  615.133  656.162   7.6496  641.245   7.5538 14.91699 10.75070 
1 1 1   27    5    6 o  1080.92   8.5339 74359.43  1171.36 73892.43  1644.81 74840.02  1668.56  1077.49   12.021  1084.36   12.117 -6.866211 17.06786 
1 1 1   27    5    7 o  449.414   4.0635 12834.25  231.891 12863.88  325.946 12803.89  329.977  449.942   5.7044  448.887   5.7885 1.055145 8.126967 
1 1 1   27    5    8 o  255.852   3.2660  4155.56  105.869  4109.06  144.486  4209.47  155.569  254.313   4.4738  257.391   4.7594 -3.078415 6.532009 
1 1 1   27    5    9 o  774.619   6.2674 38214.88  616.517 38142.96  868.882 38287.81  874.922  773.890   8.8410  775.347   8.8858 -1.456299 12.53480 
1 1 1   27    5   10 o  194.854   3.3165  2391.61   81.619  2214.46  108.701  2620.57  123.579  186.660   4.5857  203.047   4.7926 -16.38670 6.633069 
1 1 1   27    5   11 f  130.246   4.0620  1069.38   66.868  980.402   89.439  1182.15  100.688  124.160   5.6724  136.331   5.8158 -12.17185 8.124015 
1 1 1   27    5   12 o  300.139   3.2962  5726.38  125.581  5959.82  178.637  5498.29  176.578  306.191   4.5941  294.087   4.7281 12.10461 6.592459 
1 1 1   27    5   13 o  553.362   4.7154 19485.70  331.239 19153.85  460.764 19840.63  476.518  548.501   6.6149  558.223   6.7219 -9.722595 9.430867 
1 1 1   27    5   14 o  263.640   3.2394  4415.47  108.388  4307.24  150.085  4533.45  156.695  260.270   4.5408  267.010   4.6211 -6.740570 6.478746 
1 1 1   27    5   15 o  132.096   4.0532  1108.58   67.916  1066.75   93.367  1155.57   98.973  129.458   5.6792  134.734   5.7844 -5.275574 8.106361 
1 1 1   27    5   16 o  163.932   3.6373  1712.48   75.596  1819.76  106.642  1604.12  107.178  169.111   4.9657  158.751   5.3163 10.35995 7.274666 
1 1 1   27    5   17 f   71.060   7.7361  359.249   62.452  466.311   82.519  215.705   95.549   85.453   7.6041   56.668   13.475 28.78522 15.47211 
1 1 1   27    5   18 o  104.004   5.2676  692.362   69.431  733.619   97.396  649.731   99.003  107.185   7.1554  100.823   7.7324 6.361900 10.53514 
1 1 1   27    5   20 o  263.445   3.5247  4417.28  117.779  4333.99  162.018  4510.62  171.518  260.831   4.8913  266.059   5.0764 -5.228271 7.049427 
1 1 1   27    5   21 o   87.070   6.4519  488.590   71.201  504.543   98.735  471.305  102.772   88.596   8.7756   85.544   9.4604 3.052322 12.90386 
1 1 1   27    5   22 o  127.105   4.8166  1026.34   77.411  931.631  103.952  1144.25  115.985  120.583   6.7885  133.628   6.8348 -13.04507 9.633185 
1 1 1   27    5   23 f  117.365   5.0834  891.643   75.191  944.109  102.276  829.931  110.922  121.258   6.6418  113.473   7.6975 7.784714 10.16683 
1 1 1   27    5   24 o  188.668   3.9320  2283.50   94.196  2267.37  131.927  2300.27  134.538  188.001   5.5258  189.335   5.5954 -1.334579 7.864049 
1 1 1   27    5   25 o  316.993   7.8894  6555.05  317.595   0.0000   0.0000  6555.05  317.595  ?   ?   316.993   7.8894      ?      ? 
1 1 1   27    5   26 o  126.395   7.7061  1078.93  123.458  1162.05  181.093  1006.76  168.752  130.931   10.891  121.859   10.905 9.071953 15.41217 
1 1 1   27    5   27 o  154.861   6.8813  1628.95  135.215  1584.49  193.171  1671.67  189.334  152.537   9.9721  157.185   9.4851 -4.647171 13.76263 
1 1 1   27    7    0 o  544.239   4.7870 18812.94  330.770 19405.26  471.832 18240.55  463.831  552.662   6.7228  535.816   6.8166 16.84650 9.574009 
1 1 1   27    7    1 o  354.028   3.8069  7917.61  170.008  7606.02  225.837  8325.13  258.269  346.040   5.1391  362.016   5.6178 -15.97607 7.613840 
1 1 1   27    7    2 o  323.270   3.6322  6603.90  148.126  6357.52  196.908  6925.07  224.820  316.366   4.9011  330.174   5.3619 -13.80737 7.264328 
1 1 1   27    7    3 f  790.032   6.4156 39690.18  643.657 39951.23  910.156 39429.02  910.381  792.634   9.0420  787.429   9.1040 5.205322 12.83127 
1 1 1   27    7    4 o  419.090   4.0156 11158.61  213.317 11134.78  292.697 11185.61  311.535  418.622   5.5058  419.558   5.8470 -0.9364929 8.031288 
1 1 1   27    7    5 o  516.779   4.5290 16946.95  296.713 16506.50  405.803 17452.93  434.944  509.588   6.2707  523.969   6.5366 -14.38092 9.058070 
1 1 1   27    7    6 o  240.619   3.3869  3677.49  102.797  3665.11  137.510  3693.17  154.768  240.171   4.5086  241.067   5.0555 -0.8959656 6.773889 
1 1 1   27    7    7 o  339.727   3.5535  7327.06  152.993  7204.11  209.004  7468.99  224.563  336.669   4.8885  342.784   5.1587 -6.114258 7.106991 
1 1 1   27    7    8 o  345.676   3.5869  7593.30  157.264  7539.52  216.701  7653.15  228.585  344.392   4.9548  346.959   5.1879 -2.566864 7.173886 
1 1 1   27    7    9 o  333.655   3.5534  7076.20  150.434  7044.51  208.257  7110.77  217.538  332.882   4.9264  334.428   5.1222 -1.545685 7.106772 
1 1 1   27    7   10 o  409.836   3.8867 10683.63  202.256 10911.92  286.062 10455.42  286.004  414.222   5.4381  405.451   5.5546 8.770874 7.773494 
1 1 1   27    7   11 o  345.114   3.5615  7550.33  155.618  7290.00  210.637  7863.19  230.912  338.599   4.8986  351.630   5.1711 -13.03137 7.122958 
1 1 1   27    7   12 o  184.143   3.5579  2159.94   82.331  2180.42  109.126  2132.88  125.438  185.180   4.6404  183.106   5.3945 2.074173 7.115734 
1 1 1   27    7   13 o  385.213   3.7241  9407.44  181.665  9024.40  246.050  9866.49  269.356  376.641   5.1442  393.786   5.3863 -17.14523 7.448140 
1 1 1   27    7   14 o   49.770   9.1040  169.657   58.581  200.601   76.515  125.827   91.063   54.939   11.343   44.600   14.243 10.33879 18.20793 
1 1 1   27    7   15 o  311.935   3.4477  6170.34  136.212  5916.91  184.684  6472.63  201.707  304.951   4.7689  318.920   4.9804 -13.96976 6.895409 
1 1 1   27    7   16 o  162.364   3.8288  1695.33   78.114  1835.87  106.084  1528.88  115.449  169.828   4.9188  154.899   5.8690 14.92932 7.657666 
1 1 1   27    7   17 o  350.179   3.6056  7743.25  159.648  8590.16  239.426  7065.26  214.223  367.267   5.1335  333.091   5.0644 34.17621 7.211149 
1 1 1   27    7   18 o  392.002   5.5920  9795.83  278.378   0.0000   0.0000  9795.83  278.378  ?   ?   392.002   5.5920      ?      ? 
1 1 1   27    7   19 o  272.656   3.4318  4736.68  118.743  4759.45  165.072  4712.26  170.937  273.353   4.7552  271.960   4.9494 1.394012 6.863585 
1 1 1   27    7   20 o  149.918   4.3291  1409.24   81.269  1287.33  104.887  1592.36  128.553  142.000   5.8164  157.837   6.4135 -15.83694 8.658176 
1 1 1   27    7   21 f  231.600   4.8528  3421.67  142.729  3421.67  142.729   0.0000   0.0000  231.600   4.8528  ?   ?       ?      ? 
1 1 1   27    7   22 o   75.490   7.7865  392.543   66.460  420.011   81.359  337.453  115.220   80.691   7.9398   70.290   13.397 10.40099 15.57308 
1 1 1   27    7   23 o  109.358   7.2226  805.355   76.772  817.437   85.197  753.171  177.059  112.804   5.9474  105.913   13.164 6.890533 14.44520 
1 1 1   27    7   24 o  111.817   11.364  914.130  144.999  1333.45  208.551  521.757  201.739  140.851   11.659   82.783   19.509 58.06875 22.72788 
1 1 1   27    7   25 o  264.539   5.4718  4582.64  183.671  4400.03  253.648  4783.94  266.315  259.037   7.7107  270.040   7.7659 -11.00287 10.94361 
1 1 1   27    7   26 o  158.733   7.3636  1703.32  146.905  2073.40  218.890  1400.01  198.163  174.844   9.8582  142.623   10.941 32.22139 14.72717 
1 1 1   27    9    0 o  291.667   3.7892  5372.79  138.557  5204.29  180.730  5613.04  215.801  286.173   4.9731  297.160   5.7185 -10.98676 7.578451 
1 1 1   27    9    1 o  342.792   3.8827  7429.43  166.495  7247.35  216.255  7694.46  260.897  337.691   5.0428  347.893   5.9053 -10.20224 7.765471 
1 1 1   27    9    2 o  177.299   4.2230  1965.94   93.246  1842.52  119.103  2161.39  149.880  170.246   5.5090  184.352   6.4020 -14.10635 8.445971 
1 1 1   27    9    3 o  269.349   3.8085  4633.54  127.878  4728.75  166.640  4497.16  199.441  272.764   4.8108  265.935   5.9056 6.829102 7.617040 
1 1 1   27    9    4 o  250.154   4.6859  3977.36  148.862  3977.36  148.862   0.0000   0.0000  250.154   4.6859  ?   ?       ?      ? 
1 1 1   27    9    5 o  471.645   4.3710 14141.18  260.943 14040.00  354.341 14261.06  385.710  469.835   5.9388  473.454   6.4151 -3.618378 8.742032 
1 1 1   27    9    6 f  364.192   3.8557  8384.57  176.227  8124.47  230.528  8750.28  273.356  357.473   5.0781  370.911   5.8034 -13.43872 7.711454 
1 1 1   27    9    7 o  346.978   3.8009  7662.88  165.741  7702.61  219.464  7610.14  252.851  348.065   4.9651  345.891   5.7564 2.173584 7.601816 
1 1 1   27    9    8 o  263.456   4.3877  4454.57  144.054  4207.47  223.092  4631.27  188.656  257.075   6.8335  269.837   5.5054 -12.76215 8.775360 
1 1 1   27    9    9 o   61.110   9.0546  206.585   70.642   88.831   86.839  436.955  121.463   39.606   13.925   82.614   11.577 -43.00802 18.10922 
1 1 1   27    9   10 o  357.336   3.7536  8132.76  169.750  8248.61  231.619  7998.32  249.502  360.118   5.0647  354.553   5.5413 5.565552 7.507158 
1 1 1   27    9   11 o  344.014   3.6900  7509.47  160.077  7367.22  213.189  7693.34  242.376  340.326   4.9328  347.703   5.4891 -7.377930 7.379903 
1 1 1   27    9   12 o  121.651   4.8540  920.186   71.468  871.129   87.535  1018.27  123.772  116.967   5.8930  126.335   7.7147 -9.367958 9.707986 
1 1 1   27    9   13 o  351.372   3.6993  7806.40  163.804  7463.18  216.661  8264.34  250.263  342.457   4.9819  360.288   5.4698 -17.83063 7.398523 
1 1 1   27    9   14 o  330.618   3.6768  6964.70  153.248  7003.23  205.040  6915.94  230.668  331.710   4.8674  329.526   5.5121 2.184540 7.353619 
1 1 1   27    9   15 o  294.025   4.7929  5503.25  178.960  5503.25  178.960   0.0000   0.0000  294.025   4.7929  ?   ?       ?      ? 
1 1 1   27    9   16 o  351.247   5.3651  7860.96  239.312  7860.96  239.312   0.0000   0.0000  351.247   5.3651  ?   ?       ?      ? 
1 1 1   27    9   17 o  111.080   5.4389  822.880   71.288  892.686   88.343  692.570  120.701  118.299   5.8805  103.861   9.1513 14.43739 10.87777 
1 1 1   27    9   18 o  145.362   4.5195  1393.00   79.156  1507.97  100.007  1200.15  129.518  153.807   5.1201  136.917   7.4490 16.89050 9.038935 
1 1 1   27    9   19 o  126.152   5.2565  1021.48   75.588  1022.88   89.141  1017.91  142.603  126.577   5.5455  125.727   8.9315 0.8503952 10.51303 
1 1 1   27    9   20 o   91.898   6.7301  531.801   65.648  519.806   74.276  574.619  140.335   90.068   6.4938   93.729   11.790 -3.660423 13.46012 
1 1 1   27    9   21 f  119.722   6.6248  903.649   74.137  890.208   80.775  975.494  186.748  117.932   5.3935  121.511   12.102 -3.579269 13.24956 
1 1 1   27    9   22 o   51.156   13.400  136.068  128.981 -33.6010  190.411  279.932  175.334   40.497   18.099   61.815   19.766 -21.31836 26.80062 
1 1 1   27    9   23 o  260.214   6.2722  4462.15  206.674  4284.55  299.755  4623.09  285.340  254.864   9.2615  265.563   8.4609 -10.69939 12.54439 
1 1 1   27    9   24 o  205.927   5.9624  2803.46  155.909  2830.01  219.739  2776.54  221.246  206.978   8.3600  204.875   8.5037 2.102509 11.92486 
1 1 1   27    9   25 o   37.568   16.898  -4.7826  168.857   0.0000   0.0000  -4.7826  168.857  ?   ?    37.568   16.898      ?      ? 
1 1 1   27   11    0 o  248.742   3.9102  3958.92  108.330  3985.20  126.140  3885.05  211.461  250.421   3.9665  247.062   6.7398 3.359055 7.820326 
1 1 1   27   11    1 o  358.731   4.1714  8175.50  164.872  8164.44  190.509  8208.49  329.068  358.414   4.1855  359.047   7.2170 -0.6330566 8.342881 
1 1 1   27   11    2 o  246.711   3.8962  3908.79  105.034  3945.74  121.204  3797.38  210.480  249.181   3.8302  244.241   6.7860 4.940353 7.792368 
1 1 1   27   11    3 o  286.526   3.8056  4978.70  118.298  4770.56  134.430  5693.10  249.055  273.985   3.8636  299.068   6.5577 -25.08304 7.611189 
1 1 1   27   11    4 o  198.155   4.0715  2524.82   87.118  2549.39   99.987  2447.35  177.522  200.283   3.9311  196.027   7.1311 4.256012 8.142920 
1 1 1   27   11    5 o  174.606   4.1532  2010.12   78.799  2080.96   91.332  1803.84  155.857  180.943   3.9747  168.268   7.2937 12.67514 8.306388 
1 1 1   27   11    6 o  525.342   5.2578 17544.14  302.634 17501.44  348.670 17674.60  609.386  524.531   5.2344  526.154   9.1201 -1.623291 10.51550 
1 1 1   27   11    7 o  571.189   5.6395 20576.64  348.477 20369.25  398.358 21252.68  719.228  565.780   5.5443  576.599   9.8224 -10.81854 11.27910 
1 1 1   27   11    8 o   97.227   6.1183  589.272   62.652  578.315   70.674  629.485  135.390   95.314   5.8388   99.140   10.754 -3.826416 12.23658 
1 1 1   27   11    9 o  171.554   4.2801  1803.16   75.720  1755.01   84.575  1997.67  169.981  166.144   4.0085  176.965   7.5637 -10.82097 8.560240 
1 1 1   27   11   10 o   62.801   9.0510  217.181   57.469  188.140   63.439  350.044  135.693   53.401   9.7125   72.201   15.276 -18.79993 18.10203 
1 1 1   27   11   11 o  175.087   4.3905  1901.34   74.003  1874.19   81.157  2035.29  180.267  171.688   3.7223  178.486   7.9530 -6.797989 8.781007 
1 1 1   27   11   12 o  126.984   5.1874  1027.24   62.357  1025.99   68.312  1033.48  152.712  126.994   4.2358  126.974   9.4707 0.2046967E-01 10.37476 
1 1 1   27   11   13 o  312.354   4.2164  6327.82  139.588  6418.92  159.149  6024.06  290.611  317.666   3.9451  307.041   7.4531 10.62543 8.432834 
1 1 1   27   11   14 o  331.503   4.7258  7181.21  187.332  7545.27  232.458  6506.80  316.391  344.108   5.3195  318.899   7.8125 25.20816 9.451629 
1 1 1   27   11   15 o  169.013   5.0725  1871.81   74.295  1889.21   80.079  1764.27  199.098  172.335   3.6590  165.690   9.4622 6.644852 10.14504 
1 1 1   27   11   16 o  351.406   4.3572  7860.76  158.827  7842.49  178.829  7929.01  345.613  351.017   4.0117  351.796   7.7361 -0.7785034 8.714429 
1 1 1   27   11   17 o  195.352   4.7675  2481.29   79.466  2495.27   85.336  2390.04  218.022  198.036   3.3932  192.667   8.9108 5.368835 9.534972 
1 1 1   27   11   18 f  235.458   4.2558  3503.62  100.043  3476.95  111.068  3618.31  230.327  233.660   3.7430  237.257   7.6445 -3.596390 8.511672 
1 1 1   27   11   19 o  224.313   5.6593  3247.95  161.118  3226.30  223.763  3271.27  232.181  223.594   7.8804  225.033   8.1246 -1.439087 11.31861 
1 1 1   27   11   20 o   81.733   12.861  491.633  130.641  576.885  180.549  397.950  189.267   90.315   16.344   73.151   19.862 17.16360 25.72211 
1 1 1   27   11   21 o   29.062   14.509 -777.7161  162.325 -1106.2170  242.148 -509.6237  218.754  ?   ?    29.062   14.509      ?      ? 
1 1 1   27   13    0 f  282.917   4.0642  4945.93  127.590  4796.94  146.982  5401.48  257.008  274.681   4.2136  291.153   6.9510 -16.47205 8.128439 
1 1 1   27   13    1 o  428.180   4.6453 11615.09  220.769 11548.41  255.816 11809.67  436.983  426.115   4.7274  430.245   7.9978 -4.129913 9.290503 
1 1 1   27   13    2 o   68.573   9.3705  346.251   69.202  388.781   81.090  232.260  132.757   78.050   8.1812   59.097   16.861 18.95310 18.74105 
1 1 1   27   13    3 o  379.851   4.3982  9137.66  182.578  9087.88  209.925  9292.25  369.943  378.032   4.3728  381.669   7.6326 -3.637115 8.796428 
1 1 1   27   13    4 o  304.114   4.0548  5805.12  135.447  5724.35  155.802  6055.10  274.084  300.047   4.0889  308.182   7.0032 -8.135284 8.109525 
1 1 1   27   13    5 o  292.673   4.0404  5481.02  130.941  5509.17  151.949  5399.80  258.087  294.345   4.0650  291.000   6.9839 3.344604 8.080765 
1 1 1   27   13    6 o  161.182   4.6535  1602.12   80.084  1558.45   90.659  1757.21  170.865  156.515   4.5612  165.850   8.1126 -9.335800 9.306900 
1 1 1   27   13    7 o  231.548   4.0194  3361.32   99.371  3316.72  112.850  3515.28  209.674  228.379   3.8911  234.718   7.0343 -6.339005 8.038754 
1 1 1   27   13    8 o  204.870   4.1734  2703.45   90.384  2727.04  102.784  2623.01  189.815  207.072   3.9086  202.668   7.3751 4.404572 8.346849 
1 1 1   27   13    9 o  414.815   4.8866 11115.60  243.859 11412.82  302.371 10562.58  412.448  423.212   5.6261  406.417   7.9913 16.79529 9.773138 
1 1 1   27   13   10 o   77.905   9.5340  279.783   76.478  202.301   83.862  662.535  186.391   54.905   12.329  100.904   14.546 -45.99917 19.06808 
1 1 1   27   13   11 f  197.880   5.6761  2800.46  104.929  2970.27  116.643  2080.14  240.242  216.034   4.2517  179.726   10.526 36.30789 11.35220 
1 1 1   27   13   12 o  355.841   4.3592  7987.97  164.075  7913.57  185.803  8251.41  349.640  352.620   4.1492  359.062   7.6679 -6.441833 8.718494 
1 1 1   27   13   13 o   85.007   9.0040  513.870   62.454  527.992   67.407  428.235  165.991   90.960   5.8355   79.054   17.036 11.90558 18.00803 
1 1 1   27   13   14 o  254.048   4.2947  4122.58  106.328  4122.14  117.417  4124.57  250.647  254.512   3.6328  253.585   7.7833 0.9273224 8.589333 
1 1 1   27   13   15 o  282.212   4.0961  4970.47  115.778  4897.43  128.439  5287.15  267.431  277.363   3.6464  287.061   7.3360 -9.697937 8.192288 
1 1 1   27   13   16 o  137.280   5.1688  1082.76   53.696  1053.77   56.238  1381.79  180.623  128.647   3.4423  145.912   9.7477 -17.26497 10.33769 
1 1 1   27   13   17 o   97.778   9.8237  639.653  121.785  654.814  178.110  626.341  166.896   98.750   14.203   96.807   13.576 1.943123 19.64746 
1 1 1   27   15    0 o  148.852   5.4433  1447.42   93.815  1496.39  112.764  1337.32  169.084  153.238   5.7946  144.467   9.2163 8.771011 10.88661 
1 1 1   27   15    1 o  316.208   4.4910  6489.08  171.015  6754.13  213.122  6009.85  286.579  325.672   5.1531  306.744   7.3568 18.92834 8.982053 
1 1 1   27   15    2 o  143.818   5.5741  1259.26   90.914  1188.34  105.486  1464.06  179.265  136.522   6.0843  151.114   9.3414 -14.59193 11.14814 
1 1 1   27   15    3 o  152.006   6.0990  1478.06  109.810  1475.38  133.137  1483.77  194.202  152.021   6.8963  151.990   10.061 0.3056335E-01 12.19802 
1 1 1   27   15    4 o  350.605   4.7922  7919.39  203.118  8091.79  252.855  7605.78  341.046  356.334   5.5878  344.876   7.7870 11.45734 9.584404 
1 1 1   27   15    5 o  550.812   9.8316 19491.90  687.707   0.0000   0.0000 19491.90  687.707  ?   ?   550.812   9.8316      ?      ? 
1 1 1   27   15    6 o  214.458   5.2602  2981.04  120.448  3016.07  137.680  2866.77  248.654  217.598   4.9824  211.318   9.2658 6.279953 10.52040 
1 1 1   27   15    7 o   77.462   11.422  412.243   87.000  419.378   96.158  380.049  204.263   80.799   9.3713   74.124   20.834 6.674622 22.84425 
1 1 1   27   15    8 o  150.913   5.4740  1426.06   88.423  1399.23  100.421  1518.64  186.542  148.152   5.3375  153.673   9.5588 -5.521255 10.94802 
1 1 1   27   15    9 f  379.072   4.5110  9218.80  186.297  9256.31  214.436  9103.36  376.206  381.247   4.4291  376.896   7.8601 4.350616 9.022043 
1 1 1   27   15   10 o  140.567   5.6385  1166.92   78.401  1112.04   86.060  1434.73  190.111  132.052   5.1319  149.082   10.042 -17.02995 11.27699 
1 1 1   27   15   11 o  156.781   5.6670  1594.52   84.047  1602.30   92.231  1556.42  204.087  158.544   4.5809  155.018   10.367 3.526627 11.33404 
1 1 1   27   15   12 o   52.113   10.189  211.512   62.974  238.446   67.437   27.981  176.037   60.793   8.7350   43.432   18.411 17.36176 20.37764 
1 1 1   27   15   13 o   68.572   10.058  283.175   60.144  270.414   64.242  373.721  171.127   64.773   7.8099   72.371   18.538 -7.597107 20.11571 
1 1 1   27   15   14 o  125.327   4.4706  1003.17   71.152  1003.17   71.152   0.0000   0.0000  125.327   4.4706  ?   ?       ?      ? 
1 1 1   27   17    0 o   77.327   10.955  361.380   97.873  281.527  116.464  553.341  180.574   64.346   14.589   90.307   16.347 -25.96072 21.91047 
1 1 1   27   17    1 o  377.227   4.6550  8993.54  194.991  8886.33  225.707  9308.96  387.161  373.446   4.7593  381.009   8.0016 -7.563385 9.310044 
1 1 1   27   17    2 o  395.187   4.7337 10170.69  210.960 10398.27  248.492  9583.36  399.199  403.918   4.8444  386.456   8.1341 17.46249 9.467458 
1 1 1   27   17    3 o  275.864   4.6091  4980.36  140.648  5106.11  164.050  4631.52  273.243  283.085   4.5633  268.642   8.0093 14.44305 9.218104 
1 1 1   27   17    4 o  308.817   4.5048  6169.89  153.539  6245.01  178.248  5953.89  302.263  313.057   4.4836  304.577   7.8147 8.480194 9.009513 
1 1 1   27   17    5 o   95.927   8.2468  502.282   89.229  403.648  101.601  834.904  186.579   78.971   10.131  112.882   13.015 -33.91061 16.49356 
1 1 1   27   17    6 o  140.221   6.2143  1289.64   94.468  1310.93  108.911  1224.95  189.836  143.172   5.9901  137.271   10.890 5.901337 12.42865 
1 1 1   27   17    7 o  119.973   6.5165  803.628   85.288  699.742   95.885  1197.25  186.642  104.377   7.2338  135.569   10.841 -31.19244 13.03293 
1 1 1   27   17    8 o   35.763   11.051  -3.3126   85.318  -0.3554   99.416 -11.5777  166.204   31.746   13.656   39.780   17.379 -8.034018 22.10203 
1 1 1   27   17    9 o  176.863   5.3219  2001.70  119.530  2001.70  119.530   0.0000   0.0000  176.863   5.3219  ?   ?       ?      ? 
1 1 1   27   17   10 o  195.936   5.0403  2457.16  125.415  2457.16  125.415   0.0000   0.0000  195.936   5.0403  ?   ?       ?      ? 
1 1 1   27   17   11 o  124.874   6.6061  1005.79  104.760  1005.79  104.760   0.0000   0.0000  124.874   6.6061  ?   ?       ?      ? 
1 1 1   27   19    0 o   69.431   11.961  383.434   98.133  432.128  111.498  216.073  206.707   81.060   10.831   57.803   21.330 23.25757 23.92237 
1 1 1   27   19    1 o  133.226   7.7773  1201.16  111.037  1231.55  127.861  1107.94  223.940  138.117   7.2897  128.335   13.741 9.782745 15.55468 
1 1 1   27   19    2 o  138.389   6.8442  1316.30  103.390  1387.55  121.023  1123.82  198.906  146.811   6.4913  129.968   12.051 16.84357 13.68838 
1 1 1   27   19    3 o  206.134   6.5568  2738.36  171.641  2738.36  171.641   0.0000   0.0000  206.134   6.5568  ?   ?       ?      ? 
1 1 1   27   19    7 o  137.057   7.4865  1223.75  130.305  1223.75  130.305   0.0000   0.0000  137.057   7.4865  ?   ?       ?      ? 
1 1 1   27   21    0 o   97.251   11.332  651.173  139.955  651.173  139.955   0.0000   0.0000   97.251   11.332  ?   ?       ?      ? 
1 1 1   27   21    1 o  105.075   10.980  757.985  146.509  757.985  146.509   0.0000   0.0000  105.075   10.980  ?   ?       ?      ? 
1 1 1   27   21    2 f   34.681   15.514  -9.8177  140.253  -9.8177  140.253   0.0000   0.0000   34.681   15.514  ?   ?       ?      ? 
1 1 1   27   21    3 o  110.628   10.231  836.200  143.739  836.200  143.739   0.0000   0.0000  110.628   10.231  ?   ?       ?      ? 
1 1 1   27   21    4 o   43.739   17.242  126.135  140.997  126.135  140.997   0.0000   0.0000   43.739   17.242  ?   ?       ?      ? 
1 1 1   27   21    5 o   43.443   17.194  126.054  140.727  126.054  140.727   0.0000   0.0000   43.443   17.194  ?   ?       ?      ? 
1 1 1   28    0    0 o  753.534   6.1621 36081.29  833.664 36081.29  833.664 36081.29  833.664  753.534   8.7145  753.534   8.7145 -0.000000 0.000000 
1 1 1   28    0    1 o  712.091   5.8452 32220.77  747.307 32220.77  747.307 32220.77  747.307  712.091   8.2664  712.091   8.2664 -0.000000 0.000000 
1 1 1   28    0    2 o  241.393   3.4314  3704.87  148.626  3704.87  148.626  3704.87  148.626  241.393   4.8528  241.393   4.8528 -0.000000 0.000000 
1 1 1   28    0    3 o  852.019   6.8236 46132.63  1043.83 46132.63  1043.83 46132.63  1043.83  852.019   9.6501  852.019   9.6501 -0.000000 0.000000 
1 1 1   28    0    4 o  2568.99   19.924 420889.69  9190.08 420889.69  9190.08 420889.69  9190.08  2568.99   28.177  2568.99   28.177 -0.000000 0.000000 
1 1 1   28    0    6 o  136.745   4.4119  1195.00  107.836  1195.00  107.836  1195.00  107.836  136.745   6.2393  136.745   6.2393 -0.000000 0.000000 
1 1 1   28    0    7 o  1360.36   15.073 117968.80  3680.54 117968.80  3680.54 117968.80  3680.54  1360.36   21.317  1360.36   21.317 -0.000000 0.000000 
1 1 1   28    0    8 o  1318.61   10.317 110667.90  2442.58 110667.90  2442.58 110667.90  2442.58  1318.61   14.591  1318.61   14.591 -0.000000 0.000000 
1 1 1   28    0    9 o  1460.11   11.406 135903.30  2990.19 135903.30  2990.19 135903.30  2990.19  1460.11   16.131  1460.11   16.131 -0.000000 0.000000 
1 1 1   28    0   10 o  872.033   6.9656 48390.93  1090.59 48390.93  1090.59 48390.93  1090.59  872.033   9.8509  872.033   9.8509 -0.000000 0.000000 
1 1 1   28    0   11 o  219.810   3.1223  3072.97  123.145  3072.97  123.145  3072.97  123.145  219.810   4.4156  219.810   4.4156 -0.000000 0.000000 
1 1 1   28    0   12 o  103.678   4.6592  691.486   85.951  691.486   85.951  691.486   85.951  103.678   6.5892  103.678   6.5892 -0.000000 0.000000 
1 1 1   28    0   13 o   66.977   7.3849  305.569   82.394  305.569   82.394  305.569   82.394   66.977   10.444   66.977   10.444 -0.000000 0.000000 
1 1 1   28    0   14 o  190.967   3.2748  2321.21  112.166  2321.21  112.166  2321.21  112.166  190.967   4.6313  190.967   4.6313 -0.000000 0.000000 
1 1 1   28    0   15 o  127.192   4.0555  1034.64   92.212  1034.64   92.212  1034.64   92.212  127.192   5.7354  127.192   5.7354 -0.000000 0.000000 
1 1 1   28    0   16 o  266.694   3.2493  4523.94  155.527  4523.94  155.527  4523.94  155.527  266.694   4.5952  266.694   4.5952 -0.000000 0.000000 
1 1 1   28    0   17 o  142.507   3.8492  1296.84   98.189  1296.84   98.189  1296.84   98.189  142.507   5.4436  142.507   5.4436 -0.000000 0.000000 
1 1 1   28    0   18 o  106.993   5.1446  738.854   97.806  738.854   97.806  738.854   97.806  106.993   7.2756  106.993   7.2756 -0.000000 0.000000 
1 1 1   28    0   19 o   44.480   13.819  183.428  115.487  183.428  115.487  183.428  115.487   44.480   19.544   44.480   19.544 -0.000000 0.000000 
1 1 1   28    0   20 o  243.044   3.8499  3763.61  167.857  3763.61  167.857  3763.61  167.857  243.044   5.4446  243.044   5.4446 -0.000000 0.000000 
1 1 1   28    0   21 o  114.174   5.6551  843.606  114.650  843.606  114.650  843.606  114.650  114.174   7.9975  114.174   7.9975 -0.000000 0.000000 
1 1 1   28    0   22 o  174.434   4.0240  1943.70  125.758  1943.70  125.758  1943.70  125.758  174.434   5.6908  174.434   5.6908 -0.000000 0.000000 
1 1 1   28    0   23 o  455.165   4.2042 13213.50  343.537 13213.50  343.537 13213.50  343.537  455.165   5.9456  455.165   5.9456 -0.000000 0.000000 
1 1 1   28    0   24 o   44.496   13.363  185.121  108.380  185.121  108.380  185.121  108.380   44.496   18.898   44.496   18.898 -0.000000 0.000000 
1 1 1   28    0   25 o   89.465   8.5388  548.462  130.161  548.462  130.161  548.462  130.161   89.465   12.076   89.465   12.076 -0.000000 0.000000 
1 1 1   28    0   26 o  149.423   5.1954  1447.20  138.651  1447.20  138.651  1447.20  138.651  149.423   7.3473  149.423   7.3473 -0.000000 0.000000 
1 1 1   28    0   27 o   35.595   13.128  132.382  109.663  132.382  109.663  132.382  109.663   35.595   18.565   35.595   18.565 -0.000000 0.000000 
1 1 1   28    2    0 o  725.239   5.9501 33419.74  547.994 33409.20  773.133 33430.38  776.841  725.125   8.3958  725.353   8.4334 -0.2277222 11.90013 
1 1 1   28    2    1 o  1204.96   9.4645 92293.62  1447.58 94090.20  2085.93 90624.56  2010.53  1216.24   13.505  1193.67   13.263 22.57227 18.92891 
1 1 1   28    2    2 o  346.941   3.6744  7640.48  161.814  7506.67  224.768  7784.43  233.140  343.791   5.1483  350.092   5.2439 -6.301056 7.348725 
1 1 1   28    2    3 o  1068.94   8.4366 72604.52  1144.64 74172.59  1651.73 71155.69  1587.69  1080.03   12.043  1057.86   11.818 22.16431 16.87316 
1 1 1   28    2    4 o  1819.74   14.153 210986.20  3268.75 215514.30  4720.91 206816.20  4530.40  1838.40   20.221  1801.07   19.807 37.32581 28.30604 
1 1 1   28    2    5 o  2504.87   19.487 401688.69  6198.17 405624.31  8850.03 397899.81  8683.43  2516.81   27.690  2492.93   27.429 23.88306 38.97483 
1 1 1   28    2    6 o  740.682   6.0123 34847.94  565.294 34258.89  786.045 35478.96  813.559  734.208   8.4304  747.156   8.5743 -12.94806 12.02462 
1 1 1   28    2    7 o  550.836   4.6748 19268.36  326.883 18904.43  454.514 19658.28  470.463  545.455   6.5616  556.218   6.6604 -10.76337 9.349664 
1 1 1   28    2    8 o  508.245   4.3963 16375.90  283.285 15754.00  387.294 17091.47  415.436  497.899   6.1252  518.591   6.3081 -20.69156 8.792669 
1 1 1   28    2    9 o   89.813   6.7757  546.010   71.172  420.552  119.014  615.856   88.801   81.218   11.539   98.408   7.1058 -17.19012 13.55141 
1 1 1   28    2   10 f  613.386   5.1014 23921.61  397.153 23407.83  550.650 24478.65  573.357  606.539   7.1489  620.234   7.2793 -13.69470 10.20272 
1 1 1   28    2   11 o  226.458   3.1838  3255.59   91.494  3435.06  131.721  3088.27  127.182  232.483   4.4616  220.432   4.5433 12.05093 6.367653 
1 1 1   28    2   12 o   54.802   8.0852  202.812   54.976  246.808   73.841  148.096   82.348   62.206   9.3473   47.398   13.195 14.80809 16.17033 
1 1 1   28    2   13 o   65.327   6.9435  272.986   57.472  291.738   80.838  253.820   81.724   67.614   9.4146   63.039   10.208 4.574585 13.88693 
1 1 1   28    2   14 o  244.009   3.1982  3785.71   99.081  3891.35  140.470  3681.11  139.777  247.400   4.4710  240.617   4.5744 6.783112 6.396466 
1 1 1   28    2   15 o  518.685   4.4757 17104.52  294.510 17702.81  428.519 16568.93  405.440  527.252   6.3999  510.119   6.2586 17.13266 8.951483 
1 1 1   28    2   16 o  184.656   3.4478  2170.25   80.813  2116.85  115.058  2222.24  113.532  182.407   4.9670  186.906   4.7832 -4.498901 6.895675 
1 1 1   28    2   17 o  371.721   3.6424  8795.35  171.931  8671.75  242.803  8919.67  243.492  369.097   5.1801  374.346   5.1219 -5.249329 7.284735 
1 1 1   28    2   18 o  227.648   3.4439  3293.03   99.422  3549.28  143.677  3057.60  137.720  236.140   4.7912  219.156   4.9484 16.98325 6.887821 
1 1 1   28    2   19 o   91.598   7.4637  535.998   86.459  608.506  127.879  474.946  117.343   97.288   10.351   85.908   10.756 11.37978 14.92730 
1 1 1   28    2   20 o  159.273   4.5179  1621.76   91.234  1529.57  129.783  1711.82  128.280  154.763   6.6035  163.783   6.1675 -9.020477 9.035719 
1 1 1   28    2   21 o  127.909   4.9157  1044.92   79.716  1132.74  114.885  963.374  110.701  133.105   6.7966  122.713   7.1037 10.39267 9.831379 
1 1 1   28    2   22 o  109.114   5.6594  766.045   78.184  695.667  110.218  837.327  110.924  104.006   8.3448  114.221   7.6472 -10.21515 11.31879 
1 1 1   28    2   23 o  132.315   4.9649  1123.96   83.408  1099.43  116.556  1149.70  119.410  130.837   7.0149  133.792   7.0280 -2.955002 9.929842 
1 1 1   28    2   24 o  227.185   3.6712  3304.54  105.891  3308.00  148.181  3300.93  151.376  227.328   5.1329  227.042   5.2502 0.2855682 7.342387 
1 1 1   28    2   25 o  150.031   5.4441  1468.48  103.066  1664.96  146.415  1275.48  145.109  160.236   7.1953  139.826   8.1720 20.41017 10.88826 
1 1 1   28    2   26 o   77.126   8.9287  417.425   83.850  330.249  118.060  506.159  119.110   67.610   14.202   86.641   10.825 -19.03053 17.85739 
1 1 1   28    2   27 o   44.396   11.602  138.450   89.752  180.883  107.504   40.834  163.055   48.986   15.458   39.805   17.305 9.180920 23.20325 
1 1 1   28    4    0 o  350.366   3.7807  7800.90  168.070  7908.02  233.791  7686.33  241.785  352.859   5.2173  347.874   5.4731 4.985718 7.561415 
1 1 1   28    4    1 o  812.929   6.5582 41958.65  676.526 41036.12  935.140 42971.68  979.936  803.571   9.1638  822.286   9.3842 -18.71564 13.11632 
1 1 1   28    4    2 o  385.344   5.3122  9431.34  259.959  9431.34  259.959   0.0000   0.0000  385.344   5.3122  ?   ?       ?      ? 
1 1 1   28    4    3 o  1578.62   15.057 159815.09  2868.16 156434.00  4859.59 161622.50  3552.99  1564.50   24.459  1592.74   17.566 -28.24316 30.11355 
1 1 1   28    4    4 f  1482.46   11.573 139788.00  2176.22 144053.59  3169.86 135985.00  2993.01  1503.76   16.599  1461.17   16.130 42.58691 23.14524 
1 1 1   28    4    5 o  1207.71   9.4830 92835.99  1454.34 93440.87  2069.02 92245.25  2044.70  1211.59   13.447  1203.83   13.375 7.760376 18.96606 
1 1 1   28    4    6 o  559.551   4.7655 19896.04  338.614 19878.45  476.573 19913.98  481.205  559.303   6.7097  559.799   6.7689 -0.4956665 9.530942 
1 1 1   28    4    7 o  225.025   3.2284  3214.34   92.136  3171.38  126.718  3262.52  134.204  223.433   4.4659  226.616   4.6633 -3.182953 6.456876 
1 1 1   28    4    8 o  152.148   3.7175  1472.96   71.243  1485.73   95.104  1456.64  107.544  152.909   4.8977  151.387   5.5940 1.522079 7.435020 
1 1 1   28    4    9 o  285.180   3.2839  5168.90  118.889  5185.17  166.105  5151.82  170.239  285.643   4.5791  284.716   4.7084 0.9270630 6.567866 
1 1 1   28    4   10 o  255.771   3.2044  4157.54  104.064  4144.58  145.706  4171.03  148.676  255.366   4.4930  256.176   4.5701 -0.8093567 6.408808 
1 1 1   28    4   11 o  215.773   3.8080  2966.68  101.859  2932.23  162.292  2989.08  130.838  214.702   5.9523  216.844   4.7513 -2.141586 7.616032 
1 1 1   28    4   12 o  272.956   3.2483  4737.44  112.556  4782.65  157.487  4690.24  160.924  274.293   4.5212  271.620   4.6653 2.672852 6.496642 
1 1 1   28    4   13 o  173.546   3.3517  1913.92   73.830  1882.12  102.455  1948.27  106.484  172.050   4.6892  175.042   4.7903 -2.992279 6.703426 
1 1 1   28    4   14 o   75.726   6.2410  367.615   59.100  289.190   82.117  451.889   85.125   67.274   9.6119   84.178   7.9630 -16.90434 12.48196 
1 1 1   28    4   15 o  235.499   3.2580  3526.25   97.422  3610.18  139.010  3445.23  136.572  238.253   4.5944  232.744   4.6207 5.508499 6.516075 
1 1 1   28    4   16 o  204.754   3.3445  2667.23   86.958  2665.51  122.167  2669.00  123.803  204.690   4.6998  204.818   4.7598 -0.1286469 6.689071 
1 1 1   28    4   17 o  230.727   3.3126  3387.26   97.023  3260.13  136.346  3517.68  138.094  226.335   4.7437  235.118   4.6250 -8.783234 6.625178 
1 1 1   28    4   18 o  345.694   3.6397  7610.63  159.773  7612.98  227.273  7608.34  224.656  345.741   5.1763  345.647   5.1181 0.9399414E-01 7.279361 
1 1 1   28    4   19 o  368.307   5.5246  8646.58  258.396   0.0000   0.0000  8646.58  258.396  ?   ?   368.307   5.5246      ?      ? 
1 1 1   28    4   20 o   35.441   10.202   33.033   72.749   55.739  101.026   8.5773  104.847   37.267   14.626   33.614   14.226 3.652981 20.40335 
1 1 1   28    4   21 o  249.107   3.5528  3958.32  112.328  4100.77  158.606  3814.98  159.106  253.626   4.9244  244.589   5.1224 9.037201 7.105508 
1 1 1   28    4   22 o  352.772   3.7258  7945.64  166.899  8025.38  237.842  7868.29  234.261  354.511   5.2830  351.034   5.2550 3.476471 7.451529 
1 1 1   28    4   23 o  310.400   3.6154  6159.95  142.512  6198.90  202.189  6121.48  200.903  311.375   5.1132  309.425   5.1127 1.950226 7.230852 
1 1 1   28    4   24 o  144.841   4.7080  1353.84   86.363  1367.03  118.214  1338.74  126.475  145.686   6.3896  143.996   6.9163 1.690201 9.416075 
1 1 1   28    4   26 o  188.542   6.1035  2352.87  145.806  2406.96  214.451  2306.36  198.835  190.330   8.8724  186.754   8.3838 3.575745 12.20691 
1 1 1   28    4   27 o   78.790   13.154  510.909  131.844  652.480  190.513  380.787  182.647   91.159   17.085   66.421   20.006 24.73840 26.30845 
1 1 1   28    6    0 o  232.085   4.2820  3378.25  121.079  3273.39  150.146  3573.25  204.747  227.014   5.2081  237.157   6.7984 -10.14241 8.564020 
1 1 1   28    6    2 o  703.332   8.1307 31439.86  726.215 31439.86  726.215   0.0000   0.0000  703.332   8.1307  ?   ?       ?      ? 
1 1 1   28    6    3 o  811.367   6.5541 41842.55  675.052 41256.62  939.199 42468.74  970.926  805.504   9.1815  817.229   9.3554 -11.72522 13.10816 
1 1 1   28    6    4 o  737.328   6.0144 34537.77  562.682 33814.79  776.931 35335.30  816.010  729.236   8.3895  745.421   8.6202 -16.18536 12.02878 
1 1 1   28    6    5 o  258.183   3.4697  4245.92  113.316  4375.46  154.990  4097.17  166.090  262.432   4.6506  253.934   5.1505 8.498749 6.939410 
1 1 1   28    6    6 o  407.475   3.8532 10532.50  198.977 10257.76  271.382 10851.89  292.605  401.749   5.3192  413.201   5.5763 -11.45224 7.706430 
1 1 1   28    6    7 o  515.005   4.4951 16868.58  293.938 16899.14  412.213 16836.97  419.259  515.487   6.2969  514.523   6.4165 0.9645996 8.990145 
1 1 1   28    6    8 o  173.339   3.6889  1892.11   80.544  1777.91  106.134  2047.20  123.680  167.238   4.9974  179.439   5.4276 -12.20065 7.377847 
1 1 1   28    6    9 o   54.969   9.1005  207.854   62.078  239.247   80.092  160.615   98.247   60.303   10.858   49.634   14.608 10.66864 18.20096 
1 1 1   28    6   10 o  223.045   3.4075  3160.91   96.155  3141.76  130.266  3183.83  142.527  222.315   4.6141  223.775   5.0154 -1.460510 6.815000 
1 1 1   28    6   11 o  610.606   5.1292 23746.25  397.726 23789.98  560.982 23702.05  563.968  611.178   7.2278  610.034   7.2798 1.143860 10.25849 
1 1 1   28    6   12 o  241.545   3.2793  3715.83  100.415  3853.36  139.699  3568.81  144.436  246.189   4.4684  236.902   4.8010 9.287384 6.558640 
1 1 1   28    6   13 o  325.369   4.1237  6702.30  162.817  6859.17  275.679  6618.27  201.765  328.166   6.6150  322.573   4.9254 5.593536 8.247318 
1 1 1   28    6   14 o  314.323   4.2847  6300.88  159.973  6264.74  280.922  6318.22  194.609  313.494   7.0563  315.152   4.8626 -1.658173 8.569496 
1 1 1   28    6   15 o  137.918   5.3040  1204.37   86.577  1240.01  154.363  1188.02  104.573  139.273   8.7276  136.563   6.0299 2.710159 10.60807 
1 1 1   28    6   16 o  301.241   4.8945  5776.06  187.241   0.0000   0.0000  5776.06  187.241  ?   ?   301.241   4.8945      ?      ? 
1 1 1   28    6   17 o  138.482   4.3195  1226.34   75.712  1326.52  106.309  1123.24  107.853  144.266   5.8027  132.698   6.4001 11.56735 8.639020 
1 1 1   28    6   19 o  145.654   5.7952  1353.32  107.194  1353.32  107.194   0.0000   0.0000  145.654   5.7952  ?   ?       ?      ? 
1 1 1   28    6   20 o  177.629   5.4618  2013.03  123.205  2013.03  123.205   0.0000   0.0000  177.629   5.4618  ?   ?       ?      ? 
1 1 1   28    6   21 o  156.506   4.6791  1619.02   88.592  1765.26  112.755  1383.12  143.212  166.271   5.3400  146.741   7.6851 19.53026 9.358230 
1 1 1   28    6   22 o   65.411   10.825  350.012   80.656  400.630   90.564  155.907  177.346   78.624   9.0704   52.198   19.658 26.42519 21.64997 
1 1 1   28    6   23 o   89.390   8.9724  542.681   83.849  545.233   96.454  534.788  169.652   91.633   8.2887   87.148   15.916 4.485748 17.94487 
1 1 1   28    6   24 o  201.489   6.7661  2674.51  172.656  2956.66  249.378  2414.75  239.279  211.916   9.2665  191.063   9.8617 20.85255 13.53222 
1 1 1   28    6   25 o  105.075   9.1685  776.388  120.086  671.198  178.087  864.098  162.618   97.420   14.395  112.730   11.359 -15.31022 18.33694 
1 1 1   28    6   26 o  125.704   9.1230  1129.27  141.085  1072.59  224.458  1166.28  181.399  121.260   14.576  130.148   10.975 -8.888268 18.24606 
1 1 1   28    8    0 o  203.230   4.0319  2593.60  102.802  2437.04  133.730  2819.77  160.735  195.832   5.3773  210.628   6.0092 -14.79605 8.063878 
1 1 1   28    8    1 o  131.940   5.0363  1111.20   83.349  1135.11  110.263  1079.33  127.313  133.619   6.4981  130.261   7.6963 3.357498 10.07265 
1 1 1   28    8    2 o  139.987   4.9208  1251.86   86.045  1278.54  112.655  1214.51  133.308  141.807   6.2557  138.167   7.5975 3.639328 9.841555 
1 1 1   28    8    3 o  196.485   3.8856  2401.45   95.060  2206.03  121.074  2715.52  153.492  186.302   5.1175  206.668   5.8484 -20.36557 7.771237 
1 1 1   28    8    4 o  260.140   4.6557  4300.91  153.805  4300.91  153.805   0.0000   0.0000  260.140   4.6557  ?   ?       ?      ? 
1 1 1   28    8    5 o  243.793   3.5918  3801.20  109.980  3951.93  146.834  3608.59  165.992  249.355   4.6369  238.230   5.4867 11.12448 7.183659 
1 1 1   28    8    6 o  209.568   4.6785  2791.61  124.512  2791.61  124.512   0.0000   0.0000  209.568   4.6785  ?   ?       ?      ? 
1 1 1   28    8    7 f  304.244   3.5317  5821.19  134.815  5500.09  175.538  6282.96  210.505  294.148   4.6992  314.340   5.2733 -20.19205 7.063359 
1 1 1   28    8    8 o  248.479   3.5584  3918.80  110.934  3881.33  145.667  3970.53  171.169  247.093   4.6422  249.865   5.3944 -2.771408 7.116844 
1 1 1   28    8    9 o  188.449   3.9021  2260.67   91.217  2266.86  117.163  2251.15  145.345  188.813   4.8863  188.084   6.0851 0.7286835 7.804151 
1 1 1   28    8   10 o  240.089   4.4650  3734.53  130.611  3426.20  212.801  3920.88  165.437  231.902   7.2259  248.275   5.2471 -16.37349 8.930071 
1 1 1   28    8   11 o  184.944   4.2998  2140.97   92.971  2086.32  110.845  2270.63  170.741  181.119   4.8192  188.769   7.1224 -7.649719 8.599647 
1 1 1   28    8   12 o  250.087   3.4817  3987.48  109.884  4062.80  148.160  3895.41  163.817  252.745   4.6160  247.428   5.2135 5.317352 6.963399 
1 1 1   28    8   13 o  188.695   3.7418  2283.62   87.817  2358.47  114.315  2175.84  137.169  192.546   4.6751  184.843   5.8435 7.702530 7.483546 
1 1 1   28    8   14 o  371.220   3.7440  8771.19  175.924  8741.29  239.131  8806.47  259.731  370.570   5.0814  371.870   5.4999 -1.299377 7.487998 
1 1 1   28    8   15 f  217.810   4.1217  3037.50  113.359  2859.86  166.396  3191.34  154.854  211.790   6.1867  223.831   5.4479 -12.04068 8.243442 
1 1 1   28    8   16 o  233.652   3.7649  3498.33  110.743  3660.29  149.293  3300.19  165.132  239.759   4.9033  227.545   5.7146 12.21326 7.529860 
1 1 1   28    8   17 f  252.486   3.6396  4066.55  116.515  4161.74  161.469  3963.15  168.296  255.601   4.9745  249.371   5.3144 6.229889 7.279276 
1 1 1   28    8   18 o  100.735   5.9878  645.296   73.608  630.865   91.682  671.468  123.468   99.299   7.2704  102.170   9.5160 -2.870636 11.97551 
1 1 1   28    8   19 o  164.727   4.2386  1749.03   85.751  1797.99  109.129  1669.99  138.642  167.903   5.1180  161.551   6.7579 6.352234 8.477201 
1 1 1   28    8   20 o  108.197   6.5103  749.824   89.453  749.824   89.453   0.0000   0.0000  108.197   6.5103  ?   ?       ?      ? 
1 1 1   28    8   21 o  214.785   3.7141  2952.59   99.350  2961.35  128.635  2939.64  156.407  215.333   4.7040  214.237   5.7489 1.096405 7.428168 
1 1 1   28    8   22 o  118.178   9.2593  945.523  136.828  763.166  192.970  1129.91  194.043  105.978   14.338  130.378   11.720 -24.40018 18.51859 
1 1 1   28    8   23 o  265.333   6.1857  4503.42  205.778  5477.37  322.592  3835.23  267.199  288.867   8.7938  241.800   8.7016 47.06734 12.37135 
1 1 1   28    8   24 o  153.582   7.3937  1585.20  144.023  1696.04  208.805  1484.61  198.914  158.776   10.356  148.387   10.556 10.38878 14.78731 
1 1 1   28    8   25 o   70.641   13.036  411.961  125.586  570.661  177.061  251.291  178.156   85.824   16.847   55.459   19.898 30.36556 26.07170 
1 1 1   28   10    0 o  123.761   5.5719  980.083   86.394  1005.29  114.081  946.186  132.290  125.669   7.1484  121.854   8.5489 3.815605 11.14373 
1 1 1   28   10    1 o  175.222   4.3822  1967.12   95.352  2023.50  123.585  1884.20  149.884  178.384   5.4555  172.060   6.8596 6.323944 8.764489 
1 1 1   28   10    2 o  218.568   6.2086  3039.35  172.327   0.0000   0.0000  3039.35  172.327  ?   ?   218.568   6.2086      ?      ? 
1 1 1   28   10    3 o   82.735   7.1812  440.083   74.228  455.684   97.645  418.725  114.247   84.529   9.0964   80.941   11.115 3.587807 14.36250 
1 1 1   28   10    4 o  242.108   4.8799  3726.83  150.038  3726.83  150.038   0.0000   0.0000  242.108   4.8799  ?   ?       ?      ? 
1 1 1   28   10    5 o  269.031   3.8470  4634.48  128.984  4775.15  168.463  4435.19  200.515  274.046   4.8407  264.016   5.9805 10.02979 7.694058 
1 1 1   28   10    6 o  284.890   4.7536  5160.70  171.981  5160.70  171.981   0.0000   0.0000  284.890   4.7536  ?   ?       ?      ? 
1 1 1   28   10    7 o  352.307   3.8579  7870.80  170.082  7749.26  221.538  8045.28  265.434  349.061   4.9977  355.554   5.8786 -6.493164 7.715888 
1 1 1   28   10    8 f  322.430   3.7988  6622.26  153.301  6661.29  200.812  6567.75  237.339  323.626   4.8862  321.233   5.8180 2.392181 7.597598 
1 1 1   28   10    9 o  403.256   4.0304 10374.84  205.781 10732.37  283.372  9975.95  299.317  410.668   5.4336  395.844   5.9543 14.82452 8.060870 
1 1 1   28   10   10 f   65.010   9.8641  330.449   75.185  405.449   89.302  147.871  139.334   79.654   8.8283   50.367   17.643 29.28712 19.72815 
1 1 1   28   10   11 o  351.971   3.8527  7823.23  169.590  7537.27  219.638  8245.42  266.876  344.141   5.0257  359.800   5.8408 -15.65952 7.705323 
1 1 1   28   10   12 o  153.125   4.4349  1446.78   81.823  1352.09   99.496  1644.60  143.814  145.714   5.3768  160.537   7.0542 -14.82330 8.869731 
1 1 1   28   10   13 o  372.554   5.2651  8839.79  249.102  8839.79  249.102   0.0000   0.0000  372.554   5.2651  ?   ?       ?      ? 
1 1 1   28   10   14 o   62.656   13.942  264.559  108.078  264.559  108.078   0.0000   0.0000   62.656   13.942  ?   ?       ?      ? 
1 1 1   28   10   15 f   87.291   9.1550  585.524   84.192  743.024  105.194  304.845  140.429  107.761   7.6869   66.820   16.618 40.94138 18.31001 
1 1 1   28   10   16 o  273.818   4.7046  4775.61  163.593  4775.61  163.593   0.0000   0.0000  273.818   4.7046  ?   ?       ?      ? 
1 1 1   28   10   17 o  212.530   4.1740  2926.89  106.771  3025.22  132.712  2746.44  179.774  217.869   4.7967  207.191   6.8325 10.67780 8.348093 
1 1 1   28   10   18 o  253.715   3.7862  3981.16  116.332  3708.34  142.209  4533.03  202.259  241.163   4.6434  266.268   5.9815 -25.10529 7.572327 
1 1 1   28   10   19 o  252.003   4.3694  4016.61  122.892  3959.90  142.585  4180.40  242.338  249.123   4.5069  254.882   7.4869 -5.758392 8.738812 
1 1 1   28   10   20 o  155.328   7.2338  1578.26  142.226  1758.23  205.290  1412.15  197.229  164.002   9.8569  146.654   10.590 17.34845 14.46751 
1 1 1   28   10   21 f  104.143   10.934  755.804  143.205  781.913  192.382  723.360  214.456  106.876   14.175  101.409   16.653 5.466377 21.86836 
1 1 1   28   10   22 o  152.382   8.9211  1579.85  172.083  1489.51  232.279  1689.75  256.198  147.783   12.377  156.981   12.851 -9.197830 17.84222 
1 1 1   28   10   23 o   68.286   20.262  384.751  188.390   0.0000   0.0000  384.751  188.390  ?   ?    68.286   20.262      ?      ? 
1 1 1   28   12    0 f  127.335   5.3269  1023.47   73.305  1014.60   83.785  1052.39  151.370  126.294   5.2240  128.375   9.2850 -2.080925 10.65373 
1 1 1   28   12    1 o   91.680   6.5656  530.755   68.462  523.350   80.302  550.457  130.992   90.638   6.9765   92.722   11.125 -2.084045 13.13114 
1 1 1   28   12    2 o   50.775   10.803  130.984   67.196   92.675   76.503  260.326  140.571   39.129   13.091   62.421   17.188 -23.29199 21.60578 
1 1 1   28   12    3 o  123.502   5.1611  923.313   70.398  877.158   80.570  1072.26  144.738  117.412   5.4036  129.592   8.7948 -12.17976 10.32221 
1 1 1   28   12    4 o  471.361   4.9130 13957.55  251.254 13775.79  287.384 14547.15  517.598  465.373   4.8628  477.349   8.5384 -11.97592 9.826057 
1 1 1   28   12    5 o  222.459   4.0659  3251.55   97.622  3348.80  112.632  2957.92  195.721  229.518   3.8643  215.401   7.1550 14.11670 8.131855 
1 1 1   28   12    6 o  359.002   4.2264  8080.88  163.476  7970.58  186.361  8449.07  340.489  354.047   4.1449  363.958   7.3667 -9.911194 8.452750 
1 1 1   28   12    7 o  188.007   4.3388  2236.99   83.439  2226.79   93.416  2277.22  185.559  187.140   3.9308  188.874   7.7363 -1.733826 8.677621 
1 1 1   28   12    8 o   57.170   9.4240  167.439   59.241  119.612   66.708  345.901  128.861   42.511   11.891   71.830   14.624 -29.31849 18.84797 
1 1 1   28   12    9 o  128.734   5.6319  1087.55   71.869  1105.44   80.105  1013.73  162.734  131.789   4.7863  125.678   10.196 6.110321 11.26373 
1 1 1   28   12   10 o  193.907   4.4151  2343.56   87.282  2307.90   97.365  2489.49  196.959  190.478   4.0251  197.335   7.8595 -6.856445 8.830224 
1 1 1   28   12   11 f  133.120   6.2745  1126.87   82.121  1121.83   90.830  1149.41  192.187  132.695   5.3901  133.544   11.332 -0.8499451 12.54896 
1 1 1   28   12   12 o  262.699   4.4855  4603.52  124.051  4775.83  141.967  4047.17  255.101  273.960   4.0806  251.438   7.9892 22.52206 8.970985 
1 1 1   28   12   13 o  296.807   4.1474  5572.95  127.993  5538.42  144.091  5702.11  278.668  295.041   3.8457  298.574   7.3495 -3.533081 8.294859 
1 1 1   28   12   14 o  220.536   4.3299  3132.29   93.422  3147.76  103.407  3063.58  217.910  222.428   3.6609  218.645   7.8480 3.783325 8.659881 
1 1 1   28   12   15 o  155.582   5.1783  1540.97   71.050  1536.97   76.611  1565.60  189.946  155.379   3.8826  155.785   9.6012 -0.4062500 10.35655 
1 1 1   28   12   16 o  310.799   4.2835  6284.38  135.854  6358.76  152.652  6001.11  297.903  315.992   3.8041  305.606   7.6760 10.38577 8.566908 
1 1 1   28   12   17 o  187.692   4.3974  2319.16   74.861  2346.57   81.491  2171.00  189.475  191.974   3.3426  183.410   8.1349 8.563660 8.794853 
1 1 1   28   12   18 o  140.327   7.7387  1294.76  137.807  1253.23  190.481  1340.37  199.616  138.003   10.869  142.651   11.019 -4.647675 15.47747 
1 1 1   28   14    0 o  153.330   5.0096  1519.42   88.802  1548.18  106.172  1452.44  162.010  155.934   5.3616  150.727   8.4640 5.206940 10.01924 
1 1 1   28   14    1 o  174.078   4.9653  2061.70   95.100  2215.65  112.232  1669.75  179.083  186.595   4.7363  161.561   8.7285 25.03358 9.930696 
1 1 1   28   14    2 o  164.867   4.8592  1751.98   89.728  1772.65  104.963  1695.88  172.931  166.879   4.9529  162.855   8.3617 4.023941 9.718487 
1 1 1   28   14    3 o  279.826   4.1308  4936.22  128.542  4880.12  148.898  5100.36  254.680  276.973   4.2333  282.679   7.0946 -5.705872 8.261543 
1 1 1   28   14    4 o   64.777   10.522  290.132   75.813  304.189   86.678  244.368  156.397   68.852   9.9132   60.703   18.564 8.149128 21.04462 
1 1 1   28   14    5 o  235.785   4.5440  3437.29  112.148  3357.28  126.063  3740.89  245.561  229.704   4.3216  241.865   7.9948 -12.16130 9.088055 
1 1 1   28   14    6 o  107.257   7.9583  706.300   86.719  684.200   96.324  800.833  199.214  103.484   7.3296  111.031   14.129 -7.546860 15.91670 
1 1 1   28   14    7 o  315.686   4.9919  6371.61  185.628  6380.96  224.145  6351.20  331.185  316.411   5.5783  314.961   8.2801 1.450348 9.983870 
1 1 1   28   14    8 o  145.937   6.5784  1272.59   94.949  1220.38  104.348  1523.87  228.921  138.320   5.9405  153.555   11.739 -15.23477 13.15681 
1 1 1   28   14    9 o  183.717   4.8262  2252.30   91.732  2328.06  104.189  1991.06  193.467  191.243   4.2900  176.192   8.6466 15.05049 9.652311 
1 1 1   28   14   10 o  167.478   5.0456  1786.67  100.252  1773.40  121.547  1814.92  177.302  166.724   5.7408  168.231   8.2991 -1.506790 10.09114 
1 1 1   28   14   11 o  174.785   4.7878  1808.62   82.474  1730.51   90.489  2191.87  200.442  164.843   4.3226  184.727   8.5444 -19.88435 9.575569 
1 1 1   28   14   12 o  154.787   5.4071  1527.73   78.398  1523.10   85.646  1551.64  194.733  154.613   4.3620  154.961   9.8955 -0.3472443 10.81426 
1 1 1   28   14   13 o  153.511   5.1597  1525.90   73.721  1532.31   80.563  1492.90  182.805  155.080   4.0908  151.942   9.4740 3.138077 10.31943 
1 1 1   28   14   14 o  209.886   4.3259  2748.93   86.002  2712.83   93.973  2935.06  213.379  206.376   3.5856  213.396   7.8738 -7.019821 8.651824 
1 1 1   28   14   15 o   53.101   7.9609  182.358   53.684  182.358   53.684   0.0000   0.0000   53.101   7.9609  ?   ?       ?      ? 
1 1 1   28   16    0 o  191.080   5.3600  2307.14  118.669  2266.44  140.827  2406.82  220.394  188.497   5.8831  193.663   8.9614 -5.166687 10.71992 
1 1 1   28   16    1 o  146.376   5.9610  1330.29  100.501  1274.44  118.139  1476.58  191.191  141.261   6.5856  151.492   9.9380 -10.23071 11.92200 
1 1 1   28   16    2 o   31.688   10.144 -58.3502   86.019   0.9446  100.387 -222.1639  166.857   32.335   13.811   31.040   14.862 1.294819 20.28806 
1 1 1   28   16    3 o  205.862   4.7523  2607.28  111.037  2491.57  129.200  2934.20  217.176  197.721   5.1456  214.003   7.9912 -16.28267 9.504560 
1 1 1   28   16    4 o   50.216   11.530  169.279   86.221  213.872  101.760   55.793  162.337   56.141   14.249   44.292   18.132 11.84902 23.06086 
1 1 1   28   16    5 o  152.888   5.6645  1543.77   97.232  1599.70  114.704  1400.95  183.277  158.327   5.7049  147.449   9.7878 10.87790 11.32906 
1 1 1   28   16    6 o  386.141   4.6113  9445.07  193.896  9361.81  222.428  9708.60  395.711  383.316   4.5693  388.966   8.0111 -5.649231 9.222576 
1 1 1   28   16    7 o   77.969   10.309  402.029   81.324  397.815   91.283  418.241  179.051   78.563   9.1495   77.374   18.477 1.188499 20.61818 
1 1 1   28   16    8 f  320.123   4.3646  6513.28  150.103  6476.43  171.273  6635.33  311.681  318.811   4.2303  321.434   7.6356 -2.622375 8.729128 
1 1 1   28   16    9 o  186.214   4.9421  2175.38   96.332  2138.06  108.475  2314.63  209.540  183.065   4.6660  189.362   8.7136 -6.297180 9.884239 
1 1 1   28   16   10 o  205.532   4.4997  2654.45  104.671  2590.54  122.144  2831.11  203.081  201.417   4.7753  209.647   7.6278 -8.230820 8.999310 
1 1 1   28   16   11 o  161.513   5.0827  1668.63  104.250  1668.63  104.250   0.0000   0.0000  161.513   5.0827  ?   ?       ?      ? 
1 1 1   28   16   12 o  108.012   5.6666  748.716   77.727  748.716   77.727   0.0000   0.0000  108.012   5.6666  ?   ?       ?      ? 
1 1 1   28   18    0 o  200.890   5.3259  2685.69  117.992  2786.81  137.950  2410.08  227.744  208.853   5.2012  192.928   9.2955 15.92557 10.65173 
1 1 1   28   18    1 o  193.014   5.2574  2405.10  114.539  2415.71  134.400  2376.97  218.933  194.371   5.4449  191.656   8.9952 2.714767 10.51477 
1 1 1   28   18    2 o  189.221   5.3113  2293.24  111.349  2280.82  128.997  2329.55  220.544  188.854   5.3787  189.587   9.1603 -0.7332611 10.62266 
1 1 1   28   18    3 o  228.624   4.9630  3385.50  125.357  3411.03  145.483  3311.87  247.015  231.037   4.9585  226.212   8.5986 4.824814 9.925907 
1 1 1   28   18    4 o   86.327   10.599  492.196  108.637  451.729  133.541  571.385  186.807   82.498   12.747   90.156   16.938 -7.657471 21.19848 
1 1 1   28   18    5 o  140.232   7.5324  1270.00  134.139  1270.00  134.139   0.0000   0.0000  140.232   7.5324  ?   ?       ?      ? 
1 1 1   28   18    6 o  214.265   5.7720  2947.04  157.056  2947.04  157.056   0.0000   0.0000  214.265   5.7720  ?   ?       ?      ? 
1 1 1   28   18    7 o  211.255   5.4149  2863.96  145.270  2863.96  145.270   0.0000   0.0000  211.255   5.4149  ?   ?       ?      ? 
1 1 1   28   20    0 o   20.739   10.527 -500.2929  144.351 -500.2929  144.351   0.0000   0.0000   20.739   10.527  ?   ?       ?      ? 
1 1 1   28   20    1 o   35.398   15.738 -14.9272  141.990 -14.9272  141.990   0.0000   0.0000   35.398   15.738  ?   ?       ?      ? 
1 1 1   28   20    3 o   41.312   16.913   79.139  141.253   79.139  141.253   0.0000   0.0000   41.312   16.913  ?   ?       ?      ? 
1 1 1   28   20    4 o  102.164   11.335  713.056  147.055  713.056  147.055   0.0000   0.0000  102.164   11.335  ?   ?       ?      ? 
1 1 1   28   20    6 o   98.140   10.983  661.268  136.880  661.268  136.880   0.0000   0.0000   98.140   10.983  ?   ?       ?      ? 
1 1 1   29    1    0 o  387.042   3.8727  9511.72  190.319  9339.53  266.371  9691.29  272.020  383.465   5.4699  390.620   5.4836 -7.154175 7.745366 
1 1 1   29    1    1 o  764.162   6.2117 37077.16  602.456 37937.22  869.962 36284.64  835.110  772.665   8.8661  755.659   8.7024 17.00568 12.42334 
1 1 1   29    1    2 o  520.066   4.5328 17123.73  298.776 18086.10  439.804 16298.97  407.150  533.588   6.4905  506.545   6.3294 27.04279 9.065696 
1 1 1   29    1    3 o  1978.81   15.383 249860.09  3865.55 251258.30  5497.70 248493.00  5436.24  1984.25   21.818  1973.36   21.693 10.89319 30.76658 
1 1 1   29    1    5 o  621.728   5.1894 24542.83  409.529 25112.89  590.603 24014.91  568.359  628.673   7.3976  614.783   7.2799 13.89026 10.37890 
1 1 1   29    1    6 o  372.459   4.4465  8846.53  199.333  8711.31  340.237  8917.21  245.966  370.247   7.2362  374.671   5.1695 -4.424377 8.893058 
1 1 1   29    1    7 o  1062.06   8.3861 71814.88  1130.86 72697.25  1617.70 70971.59  1581.48  1068.42   11.923  1055.69   11.796 12.72412 16.77223 
1 1 1   29    1    8 f  527.263   5.5490 17662.04  349.883 17619.99  427.793 17746.99  608.076  526.471   6.3986  528.054   9.0678 -1.582520 11.09805 
1 1 1   29    1    9 o  420.996   3.8520 11266.52  205.943 11258.80  290.903 11274.26  291.592  420.852   5.4430  421.140   5.4522 -0.2880249 7.704093 
1 1 1   29    1   10 o  183.612   3.3012  2136.47   76.857  2024.22  105.244  2264.73  112.501  178.461   4.6439  188.764   4.6931 -10.30260 6.602326 
1 1 1   29    1   11 o  453.959   4.0640 13087.78  234.086 12665.80  322.931 13555.02  339.808  446.266   5.6982  461.652   5.7962 -15.38678 8.128043 
1 1 1   29    1   12 o  384.555   3.6761  9379.51  179.230  9821.15  262.807  8995.51  245.061  392.989   5.2660  376.122   5.1306 16.86710 7.352115 
1 1 1   29    1   13 o  595.299   4.9987 22564.56  377.829 22294.04  528.372 22847.63  540.497  591.658   7.0322  598.940   7.1061 -7.281860 9.997437 
1 1 1   29    1   14 o  265.370   3.2256  4472.32  108.633  4318.26  150.455  4640.11  157.017  260.603   4.5462  270.137   4.5770 -9.534637 6.451152 
1 1 1   29    1   15 o  289.845   3.2798  5338.11  120.665  5508.55  173.912  5179.90  167.558  294.300   4.6533  285.389   4.6233 8.911377 6.559577 
1 1 1   29    1   16 o  328.456   3.4631  6863.86  144.446  6798.85  203.305  6930.12  205.264  326.886   4.8975  330.027   4.8976 -3.140686 6.926194 
1 1 1   29    1   17 o  399.081   3.7936 10134.87  192.188  9900.97  267.293 10385.21  276.532  394.323   5.3377  403.839   5.3921 -9.516022 7.587253 
1 1 1   29    1   18 o  373.669   3.7919  8893.51  179.930  8825.07  252.977  8963.59  255.969  372.216   5.3519  375.121   5.3733 -2.904999 7.583843 
1 1 1   29    1   19 o  431.125   4.2175 11853.47  230.894 11915.18  328.646 11793.32  324.461  432.226   5.9874  430.024   5.9414 2.201233 8.435040 
1 1 1   29    1   20 o  227.111   3.6062  3286.76  104.006  3272.58  146.705  3301.08  147.470  226.619   5.0977  227.602   5.1021 -0.9837952 7.212328 
1 1 1   29    1   21 o   98.191   6.1523  620.246   76.599  580.498  108.241  660.120  108.413   94.999   8.9721  101.383   8.4205 -6.383492 12.30460 
1 1 1   29    1   22 o  339.521   3.6739  7354.20  158.352  7545.07  227.533  7174.92  220.518  343.785   5.2117  335.257   5.1795 8.527618 7.347740 
1 1 1   29    1   23 o  130.435   5.0616  1102.09   83.138  1247.26  116.541  951.648  118.638  139.373   6.5845  121.496   7.6892 17.87699 10.12322 
1 1 1   29    1   24 o  174.712   4.2072  1961.32   93.311  2037.80  132.984  1887.15  130.961  178.090   5.8801  171.333   6.0190 6.757538 8.414486 
1 1 1   29    1   25 o  249.156   5.7808  4000.54  182.908   0.0000   0.0000  4000.54  182.908  ?   ?   249.156   5.7808      ?      ? 
1 1 1   29    1   26 o   84.388   7.8507  484.913   83.791  537.627  119.445  433.838  117.574   89.183   10.546   79.593   11.632 9.590256 15.70139 
1 1 1   29    1   27 f  139.403   4.9700  1283.31   87.609  1339.02  120.322  1220.45  127.814  142.905   6.6301  135.900   7.4059 7.004578 9.940092 
1 1 1   29    3    0 o  469.419   4.2811 13955.65  254.684 13388.46  346.897 14618.85  375.110  459.106   5.9499  479.732   6.1572 -20.62598 8.562266 
1 1 1   29    3    1 o  825.252   6.6454 43280.93  696.419 43588.92  989.925 42979.13  979.921  828.157   9.4127  822.347   9.3834 5.810730 13.29080 
1 1 1   29    3    2 f  869.458   6.9651 48015.86  768.666 49111.58  1108.64 47001.49  1066.69  878.996   9.9318  859.920   9.7679 19.07538 13.93026 
1 1 1   29    3    3 o  1850.51   14.405 218474.09  3385.18 218293.09  4780.19 218656.20  4794.58  1849.75   20.350  1851.27   20.394 -1.518799 28.81008 
1 1 1   29    3    4 o  1532.90   11.961 149628.20  2326.83 153030.50  3363.86 146506.80  3222.00  1549.53   17.095  1516.26   16.733 33.26941 23.92111 
1 1 1   29    3    5 o  947.085   7.5353 57051.88  906.276 57373.44  1286.55 56735.15  1276.84  949.732   10.667  944.438   10.646 5.294434 15.07065 
1 1 1   29    3    6 o  480.410   4.2446 14665.22  258.952 14712.05  365.871 14618.22  366.555  481.180   5.9875  479.641   6.0179 1.538605 8.489106 
1 1 1   29    3    7 o  326.087   3.4075  6752.70  141.068  6968.87  201.862  6546.36  197.220  331.186   4.7996  320.988   4.8382 10.19824 6.815005 
1 1 1   29    3    8 o  385.859   3.6945  9461.03  180.990  9382.27  252.792  9543.86  259.248  384.215   5.1810  387.503   5.2682 -3.288330 7.388947 
1 1 1   29    3    9 o   74.385   6.2869  350.764   59.237  326.030   80.440  380.070   87.559   71.535   8.8547   77.234   8.9272 -5.699135 12.57381 
1 1 1   29    3   10 o  238.165   3.2004  3607.91   96.688  3671.83  134.306  3539.14  139.307  240.363   4.4000  235.967   4.6488 4.395691 6.400900 
1 1 1   29    3   11 o  357.468   3.5242  8123.98  159.980  8169.80  227.150  8078.90  225.352  358.467   4.9898  356.469   4.9781 1.998749 7.048387 
1 1 1   29    3   12 o  277.163   3.2663  4882.15  114.942  4808.65  160.616  4959.31  164.560  275.026   4.5987  279.299   4.6396 -4.272369 6.532522 
1 1 1   29    3   13 o  265.083   3.2452  4467.84  109.244  4463.85  154.716  4471.81  154.272  264.964   4.5980  265.202   4.5807 -0.2374878 6.490359 
1 1 1   29    3   14 o  464.468   4.1341 13729.37  243.818 13852.54  347.930 13610.51  341.773  466.509   5.8729  462.426   5.8199 4.083191 8.268167 
1 1 1   29    3   15 o  142.275   3.8602  1287.40   69.673  1268.31   96.070  1308.57  101.195  141.170   5.3588  143.380   5.5577 -2.210419 7.720417 
1 1 1   29    3   16 o  319.621   3.4902  6495.99  141.605  6319.74  196.854  6684.99  203.848  315.134   4.9189  324.108   4.9527 -8.973694 6.980309 
1 1 1   29    3   17 o  187.305   3.6816  2230.36   87.501  2129.07  121.015  2341.34  126.670  182.855   5.2114  191.755   5.2017 -8.900040 7.363226 
1 1 1   29    3   18 f  206.526   3.8232  2714.44  100.210  2804.27  144.831  2631.93  138.799  209.796   5.4361  203.255   5.3774 6.541397 7.646349 
1 1 1   29    3   19 o  232.588   3.8429  3445.55  113.329  3721.52  162.651  3185.16  157.994  241.655   5.3001  223.522   5.5660 18.13295 7.685782 
1 1 1   29    3   20 o  354.857   3.7294  8027.88  168.060  8013.06  238.327  8042.54  237.024  354.526   5.2936  355.188   5.2548 -0.6618958 7.458867 
1 1 1   29    3   21 o  347.078   3.7229  7685.04  164.084  7592.41  230.830  7779.65  233.290  344.963   5.2692  349.193   5.2608 -4.230255 7.445823 
1 1 1   29    3   22 o  135.840   4.7517  1182.66   81.952  1150.46  114.722  1216.21  117.110  133.948   6.7443  137.732   6.6955 -3.783890 9.503418 
1 1 1   29    3   23 o  174.051   4.1688  1942.25   92.136  1928.06  129.287  1956.89  131.338  173.413   5.8708  174.690   5.9203 -1.277222 8.337658 
1 1 1   29    3   24 o  204.449   3.9145  2684.72  101.625  2677.49  144.637  2691.78  142.818  204.159   5.5787  204.739   5.4930 -0.5803680 7.829085 
1 1 1   29    3   25 o  202.505   4.2490  2648.64  108.996  2656.68  159.959  2641.67  148.919  202.671   6.2150  202.339   5.7955 0.3319092 8.497906 
1 1 1   29    3   26 o  179.368   5.4892  2186.23  111.503  2280.07  132.740  1961.30  205.507  187.691   5.5690  171.046   9.4610 16.64520 10.97836 
1 1 1   29    3   27 o  108.084   9.4032  845.175  128.951  800.824  180.592  891.312  184.191  104.937   13.552  111.231   13.040 -6.294388 18.80634 
1 1 1   29    5    0 o  364.616   3.7997  8450.95  175.758  8879.16  248.248  8020.60  248.871  373.887   5.2284  355.344   5.5150 18.54233 7.599440 
1 1 1   29    5    1 o  652.034   7.6426 27015.72  632.836 27015.72  632.836   0.0000   0.0000  652.034   7.6426  ?   ?       ?      ? 
1 1 1   29    5    2 o  944.894   7.5309 56764.36  903.398 56054.45  1259.49 57516.61  1296.51  938.823   10.564  950.964   10.736 -12.14069 15.06178 
1 1 1   29    5    3 o  1175.65   9.2533 87991.59  1381.27 89094.78  1975.96 86937.38  1931.61  1182.84   13.155  1168.46   13.017 14.37390 18.50667 
1 1 1   29    5    4 o  508.167   4.4447 16410.60  286.822 16530.90  405.215 16289.81  406.041  510.035   6.2562  506.298   6.3152 3.736664 8.889377 
1 1 1   29    5    5 o  158.964   4.0919  1613.15   81.756  1660.85  109.045  1551.91  123.550  161.671   5.3112  156.258   6.2262 5.413452 8.183809 
1 1 1   29    5    6 f  341.388   3.5723  7407.73  154.754  7442.58  214.950  7370.23  222.982  342.227   4.9459  340.548   5.1560 1.679382 7.144663 
1 1 1   29    5    7 o  570.724   4.8497 20714.69  351.391 20462.12  490.039 20982.00  504.146  567.153   6.8038  574.295   6.9126 -7.142517 9.699303 
1 1 1   29    5    8 o  250.275   3.3403  3984.25  105.933  4028.94  145.541  3933.90  154.483  251.778   4.5519  248.772   4.8899 3.005539 6.680644 
1 1 1   29    5    9 o  187.617   5.0299  2237.85  119.841   0.0000   0.0000  2237.85  119.841  ?   ?   187.617   5.0299      ?      ? 
1 1 1   29    5   10 o  318.280   3.4453  6437.96  139.061  6395.05  191.363  6485.98  202.427  317.166   4.7511  319.393   4.9907 -2.227051 6.890593 
1 1 1   29    5   11 o  208.423   3.3785  2767.60   89.008  2825.93  120.940  2698.69  131.471  210.838   4.5169  206.008   5.0254 4.830246 6.757017 
1 1 1   29    5   12 o   43.964   9.7859  116.291   60.443   89.090   77.616  158.208   96.349   38.753   13.185   49.175   14.464 -10.42123 19.57176 
1 1 1   29    5   13 o   47.509   9.3297  152.432   59.382  184.078   77.891  108.514   91.759   52.550   11.943   42.468   14.337 10.08222 18.65947 
1 1 1   29    5   14 o  228.310   4.5953  3315.30  133.234  3315.30  133.234   0.0000   0.0000  228.310   4.5953  ?   ?       ?      ? 
1 1 1   29    5   15 o  157.350   3.7115  1575.16   74.119  1553.16  102.758  1599.03  107.012  156.210   5.1800  158.490   5.3168 -2.279770 7.422970 
1 1 1   29    5   16 o  164.736   3.7519  1725.18   78.328  1574.94  108.553  1888.38  113.134  157.254   5.4358  172.217   5.1730 -14.96353 7.503814 
1 1 1   29    5   17 o  133.417   4.6079  1131.56   76.775  1434.43  112.961  871.538  104.665  150.004   5.9299  116.829   7.0546 33.17531 9.215853 
1 1 1   29    5   18 o  488.901   6.2892 15253.50  390.477   0.0000   0.0000 15253.50  390.477  ?   ?   488.901   6.2892      ?      ? 
1 1 1   29    5   19 o   28.770   9.1474 -50.8679   71.202 -11.2440   95.829 -99.7029  106.386   30.644   13.294   26.896   12.569 3.748266 18.29482 
1 1 1   29    5   20 o  167.837   4.0960  1800.28   87.151  1834.38  120.454  1762.83  126.250  169.537   5.5947  166.137   5.9839 3.399948 8.191983 
1 1 1   29    5   21 o  191.785   3.8313  2348.45   93.298  2304.16  130.644  2394.54  133.282  189.941   5.4162  193.629   5.4203 -3.688370 7.662557 
1 1 1   29    5   22 o  123.192   5.1099  973.532   79.651  863.168  109.658  1096.79  115.886  115.770   7.4587  130.613   6.9866 -14.84254 10.21988 
1 1 1   29    5   23 o   91.417   6.7920  544.235   78.641  503.137  106.756  592.996  116.283   87.669   9.5890   95.166   9.6218 -7.497398 13.58409 
1 1 1   29    5   24 o  243.595   8.2617  3879.98  255.573   0.0000   0.0000  3879.98  255.573  ?   ?   243.595   8.2617      ?      ? 
1 1 1   29    5   25 o  112.920   8.6469  874.963  123.412  993.616  179.131  767.762  170.268  120.557   11.700  105.283   12.735 15.27365 17.29384 
1 1 1   29    5   26 o  248.706   5.5034  4100.24  172.955  4063.91  256.822  4130.39  233.964  247.154   8.1825  250.257   7.3618 -3.102463 11.00681 
1 1 1   29    7    0 o  739.849   6.0858 34818.18  571.694 34783.24  800.751 34854.50  816.474  739.483   8.5269  740.216   8.6857 -0.7326050 12.17169 
1 1 1   29    7    1 o  254.049   3.7255  4122.85  119.117  4285.34  160.037  3921.02  178.363  259.706   4.8525  248.393   5.6544 11.31293 7.451096 
1 1 1   29    7    2 o  599.346   5.1071 22842.75  388.519 22779.33  540.535 22910.53  558.819  598.500   7.1118  600.192   7.3317 -1.692200 10.21429 
1 1 1   29    7    3 o  141.363   4.6928  1247.22   82.855  1149.94  106.308  1397.75  132.242  134.485   6.2246  148.242   7.0246 -13.75661 9.385690 
1 1 1   29    7    4 o  160.249   4.2233  1629.16   84.144  1614.91  108.238  1650.94  133.773  159.388   5.3474  161.111   6.5383 -1.723160 8.446574 
1 1 1   29    7    5 o  491.500   4.3842 15365.78  273.546 15397.42  381.951 15332.46  391.948  492.031   6.1128  490.969   6.2863 1.062347 8.768335 
1 1 1   29    7    6 o  355.217   3.6995  8010.06  166.262  7887.17  224.820  8158.40  247.003  352.232   5.0261  358.202   5.4300 -5.969757 7.399050 
1 1 1   29    7    7 o  613.922   5.1728 23970.87  402.863 23484.45  554.985 24512.67  585.726  607.372   7.1953  620.472   7.4335 -13.09998 10.34552 
1 1 1   29    7    8 o  387.240   3.7928  9522.14  186.084  9340.06  253.614  9734.47  273.877  383.253   5.2109  391.228   5.5125 -7.974365 7.585564 
1 1 1   29    7    9 o  341.012   3.6199  7397.44  156.503  7437.44  215.533  7352.83  227.620  342.003   4.9626  340.021   5.2714 1.981934 7.239810 
1 1 1   29    7   10 o  456.013   4.1569 13235.46  240.669 13403.02  338.145 13063.43  342.614  458.952   5.8017  453.075   5.9547 5.877167 8.313733 
1 1 1   29    7   11 o  234.860   3.4117  3514.06  101.023  3560.92  135.500  3455.43  151.587  236.649   4.5088  233.070   5.1215 3.578522 6.823394 
1 1 1   29    7   12 o  331.592   3.5312  6973.83  148.152  6765.27  199.881  7228.09  220.699  326.128   4.8262  337.057   5.1561 -10.92935 7.062387 
1 1 1   29    7   13 o   74.157   7.2085  353.840   65.168  358.138   81.752  346.350  107.933   74.870   8.5983   73.444   11.572 1.426193 14.41704 
1 1 1   29    7   14 o  337.093   7.4058  7252.76  317.029  7252.76  317.029   0.0000   0.0000  337.093   7.4058  ?   ?       ?      ? 
1 1 1   29    7   15 o  295.163   3.4733  5550.95  129.997  5909.10  184.054  5194.42  183.635  304.695   4.7567  285.631   5.0626 19.06470 6.946622 
1 1 1   29    7   16 o  235.985   4.6421  3595.13  128.484  3664.87  155.316  3443.96  228.680  239.885   5.0984  232.085   7.7589 7.799728 9.284125 
1 1 1   29    7   17 f  208.624   3.9201  2778.59  103.596  2838.38  142.478  2711.52  150.898  211.042   5.3162  206.206   5.7624 4.835785 7.840121 
1 1 1   29    7   18 o  190.026   3.9207  2298.43   94.191  2258.13  126.831  2347.99  140.650  188.207   5.3066  191.845   5.7731 -3.638336 7.841454 
1 1 1   29    7   19 o  124.733   5.1286  1007.81   79.171  1052.00  102.493  942.433  124.666  128.296   6.2908  121.171   8.1016 7.124481 10.25719 
1 1 1   29    7   20 o  181.616   5.2856  2106.15  121.905  2106.15  121.905   0.0000   0.0000  181.616   5.2856  ?   ?       ?      ? 
1 1 1   29    7   21 o  218.557   3.7670  3085.07  102.628  3231.74  134.852  2883.21  158.204  224.961   4.7203  212.154   5.8720 12.80664 7.534087 
1 1 1   29    7   22 o   25.206   8.4066 -98.4861   64.482 -121.1690   78.857 -52.7135  112.019   20.526   9.9256   29.885   13.571 -9.359264 16.81329 
1 1 1   29    7   23 o   55.230   14.596  145.943  157.883  385.905  225.102 -86.4060  221.503   69.750   22.406   40.710   18.710 29.03972 29.19103 
1 1 1   29    7   24 o  253.195   5.4832  4200.60  176.179  4117.70  243.692  4291.37  255.003  250.683   7.6549  255.707   7.8528 -5.024582 10.96648 
1 1 1   29    7   25 o  208.967   6.2603  2935.54  165.089  2771.82  242.703  3076.52  225.219  202.807   9.4236  215.127   8.2439 -12.32036 12.52059 
1 1 1   29    9    0 o  268.017   3.8987  4592.58  130.726  4723.64  172.139  4414.01  200.931  272.594   4.9726  263.440   6.0060 9.154572 7.797405 
1 1 1   29    9    1 o  137.615   4.9865  1216.97   86.132  1302.85  116.025  1111.54  128.556  143.105   6.3844  132.125   7.6617 10.97984 9.973087 
1 1 1   29    9    2 o  301.830   3.7825  5783.02  143.282  5730.62  188.329  5855.02  220.781  300.240   4.9394  303.419   5.7298 -3.179047 7.564920 
1 1 1   29    9    3 o  339.715   3.8361  7294.72  163.493  7068.66  213.682  7613.92  253.916  333.439   5.0463  345.991   5.7789 -12.55240 7.672115 
1 1 1   29    9    4 o  303.114   3.7599  5827.16  142.580  5754.68  185.731  5931.17  222.488  300.862   4.8612  305.366   5.7373 -4.504120 7.519814 
1 1 1   29    9    5 o  476.388   4.4306 14424.48  266.865 14266.08  360.001 14617.69  397.602  473.533   5.9865  479.242   6.5330 -5.709808 8.861115 
1 1 1   29    9    6 o  485.137   4.4542 14982.55  273.872 15037.85  376.049 14920.10  399.655  486.126   6.0914  484.147   6.5002 1.979584 8.908340 
1 1 1   29    9    7 o  111.550   5.3108  780.276   73.725  733.728   94.073  854.375  118.693  107.337   6.9015  115.762   8.0738 -8.425697 10.62153 
1 1 1   29    9    8 o  283.945   3.6213  5125.67  128.628  5113.02  167.917  5143.65  200.102  283.564   4.6630  284.327   5.5419 -0.7633667 7.242648 
1 1 1   29    9    9 o  128.978   4.8921  1071.03   76.413  1098.41   95.405  1022.03  127.620  131.371   5.7187  126.584   7.9389 4.787262 9.784158 
1 1 1   29    9   10 o  447.027   4.2066 12722.43  238.291 12705.22  326.355 12742.08  348.746  446.743   5.7525  447.311   6.1393 -0.5676575 8.413233 
1 1 1   29    9   11 o  188.340   5.1975  2312.74  120.295  2039.60  189.457  2497.23  155.709  178.691   8.3489  197.989   6.1929 -19.29785 10.39503 
1 1 1   29    9   12 o  167.301   4.8173  1736.38   92.869  1672.92  109.301  1901.16  176.116  162.098   5.3097  172.503   8.0394 -10.40515 9.634552 
1 1 1   29    9   13 o  491.158   4.4511 15370.22  277.076 15207.25  379.140 15557.03  405.918  488.424   6.1126  493.892   6.4719 -5.467834 8.902172 
1 1 1   29    9   14 f  294.641   5.0263  5528.19  188.070  5528.19  188.070   0.0000   0.0000  294.641   5.0263  ?   ?       ?      ? 
1 1 1   29    9   15 o  290.703   3.9261  5410.61  144.251  5726.64  198.542  5057.27  209.937  299.800   5.2149  281.606   5.8704 18.19458 7.852181 
1 1 1   29    9   16 o  129.188   7.3479  1146.81   90.975  1189.23  101.081  965.936  208.723  136.538   5.8296  121.837   13.490 14.70168 14.69580 
1 1 1   29    9   17 o  147.725   4.8358  1421.49   86.927  1494.85  110.021  1299.62  141.808  153.058   5.6603  142.393   7.8421 10.66565 9.671546 
1 1 1   29    9   18 o   83.931   7.4652  441.059   72.442  420.425   85.340  494.268  137.042   80.858   8.3110   87.004   12.403 -6.145607 14.93034 
1 1 1   29    9   19 o  168.147   4.4180  1781.70   86.827  1737.72  103.551  1885.85  159.343  164.981   4.9425  171.312   7.3243 -6.331924 8.835914 
1 1 1   29    9   20 o   52.308   9.7203  208.688   68.375  256.699   79.809   76.223  132.566   62.697   10.024   41.920   16.657 20.77677 19.44058 
1 1 1   29    9   21 o  255.692   5.7684  4250.36  187.266  4329.71  268.193  4174.86  261.600  258.000   8.1856  253.385   8.1298 4.614532 11.53679 
1 1 1   29    9   22 o  195.399   7.3808  2522.73  179.123  1880.18  241.981  3301.59  266.414  167.206   11.396  223.591   9.3826 -56.38513 14.76151 
1 1 1   29    9   23 o   71.054   13.806  404.505  128.138  393.274  174.478  417.656  188.798   70.309   19.062   71.800   19.976 -1.491585 27.61197 
1 1 1   29    9   24 o  120.878   11.840  1021.47  181.748   0.0000   0.0000  1021.47  181.748  ?   ?   120.878   11.840      ?      ? 
1 1 1   29   11    0 o  184.870   4.1926  2133.32   86.618  2089.12  100.376  2262.22  171.416  181.283   4.3601  188.458   7.1624 -7.175583 8.385112 
1 1 1   29   11    1 o  123.348   5.1046  923.251   71.161  872.961   82.413  1070.63  141.083  117.141   5.5400  129.554   8.5752 -12.41352 10.20911 
1 1 1   29   11    2 o  294.973   3.9672  5345.58  125.618  5188.50  142.450  5894.95  266.393  285.715   3.9260  304.232   6.8951 -18.51761 7.934484 
1 1 1   29   11    3 o  176.033   4.0910  1860.58   79.151  1759.32   90.282  2196.94  164.547  166.355   4.2735  185.710   6.9771 -19.35500 8.181903 
1 1 1   29   11    4 o  333.977   4.1101  7060.74  148.993  7025.65  170.772  7172.62  304.896  332.449   4.0450  335.506   7.1561 -3.057007 8.220161 
1 1 1   29   11    5 o   94.454   6.2634  551.856   65.328  534.487   75.058  606.123  132.674   91.610   6.4518   97.298   10.738 -5.688026 12.52679 
1 1 1   29   11    6 o  313.233   4.2917  6234.08  160.024  6209.15  194.733  6285.93  280.826  312.422   4.9082  314.043   7.0416 -1.620178 8.583353 
1 1 1   29   11    7 o  405.861   4.7534 10513.05  230.941 10543.49  283.054 10452.44  399.408  406.992   5.4765  404.730   7.7709 2.262573 9.506826 
1 1 1   29   11    8 o   84.184   7.8038  417.253   79.192  342.656   95.358  583.052  142.163   73.121   10.269   95.246   11.753 -22.12516 15.60754 
1 1 1   29   11    9 o  193.743   4.4877  2456.07  101.744  2566.43  123.645  2224.65  179.053  200.817   4.8484  186.668   7.5532 14.14911 8.975426 
1 1 1   29   11   10 f  337.276   4.4318  7276.21  179.025  7324.54  219.755  7180.83  308.697  339.179   5.1019  335.374   7.2481 3.804779 8.863673 
1 1 1   29   11   11 o   89.076   8.0137  504.294   85.138  491.803  103.345  530.678  150.197   87.588   9.2912   90.564   13.060 -2.976006 16.02739 
1 1 1   29   11   12 o  277.940   4.7148  4917.37  155.404  4893.10  188.441  4968.97  274.764  277.129   5.3545  278.750   7.7619 -1.621063 9.429594 
1 1 1   29   11   13 o  285.332   4.3155  5253.56  128.955  5300.07  146.124  5089.80  274.188  288.614   3.9868  282.050   7.6550 6.564392 8.630978 
1 1 1   29   11   14 o  249.354   4.2649  4080.96  106.642  4155.80  119.334  3784.17  237.631  255.589   3.6766  243.119   7.6968 12.47083 8.529781 
1 1 1   29   11   15 f  177.916   4.9583  2016.49   78.714  2012.85   85.083  2038.14  207.337  177.847   3.7672  177.984   9.1731 -0.1372528 9.916581 
1 1 1   29   11   16 o  283.939   4.2136  5077.49  119.675  5031.13  132.885  5276.52  275.325  281.126   3.7222  286.752   7.5607 -5.626129 8.427258 
1 1 1   29   11   17 o  216.945   4.4081  3083.83   89.480  3118.71   98.078  2910.64  218.552  221.324   3.4895  212.566   8.0963 8.758820 8.816237 
1 1 1   29   11   18 f   86.022   9.8235  568.794   50.746  580.307   52.746  425.564  186.044   95.352   4.3560   76.693   19.158 18.65850 19.64695 
1 1 1   29   11   19 o   40.383   12.745 -35.4663  132.976 -63.1960  182.877  -4.3566  193.702   38.383   17.395   42.383   18.632 -3.999588 25.48962 
1 1 1   29   11   20 o   40.768   19.013 -134.4955  241.501   0.0000   0.0000 -134.4955  241.501  ?   ?    40.768   19.013      ?      ? 
1 1 1   29   13    0 o  286.393   4.1397  5310.70  131.778  5408.19  153.760  5040.98  255.755  291.632   4.1517  281.153   7.1631 10.47916 8.279341 
1 1 1   29   13    1 o  389.279   4.4843  9486.69  190.437  9330.05  218.202  9987.36  390.113  382.992   4.4863  395.566   7.7659 -12.57419 8.968675 
1 1 1   29   13    2 o   95.103   6.8820  553.867   75.627  521.091   88.790  640.486  144.343   90.349   7.7386   99.856   11.383 -9.507774 13.76407 
1 1 1   29   13    3 o  282.980   4.0612  5151.82  127.520  5207.71  148.362  4993.75  249.502  286.162   4.0826  279.797   7.0219 6.364868 8.122440 
1 1 1   29   13    4 o   82.815   9.2655  554.089   74.964  658.959   87.997  276.594  143.142  101.642   6.8174   63.987   17.231 37.65462 18.53095 
1 1 1   29   13    5 o  220.723   4.1500  2905.32  100.160  2731.07  113.845  3502.20  210.706  207.194   4.3267  234.253   7.0830 -27.05887 8.299932 
1 1 1   29   13    6 o   81.821   9.1573  433.325   75.487  428.492   84.991  451.383  164.283   81.855   8.1761   81.787   16.388 0.6836700E-01 18.31458 
1 1 1   29   13    7 o  283.710   4.4414  5190.85  149.557  5299.82  182.704  4969.55  260.371  288.504   4.9868  278.915   7.3509 9.588654 8.882786 
1 1 1   29   13    8 o  207.416   4.7528  2662.70  110.558  2573.24  128.026  2925.11  219.257  201.014   5.0152  213.818   8.0748 -12.80388 9.505513 
1 1 1   29   13    9 o  215.924   9.1143  2991.58  249.922   0.0000   0.0000  2991.58  249.922  ?   ?   215.924   9.1143      ?      ? 
1 1 1   29   13   10 o  186.078   4.8376  2155.04   90.357  2119.91  100.268  2306.84  208.440  182.493   4.3265  189.663   8.6540 -7.170853 9.675286 
1 1 1   29   13   11 o  212.580   4.7010  2891.39  117.408  2897.92  141.494  2876.96  210.370  213.219   5.2256  211.940   7.8162 1.279297 9.402081 
1 1 1   29   13   12 o  163.882   5.0065  1673.78   77.591  1651.89   84.744  1787.30  192.963  161.076   4.1428  166.687   9.1158 -5.611359 10.01299 
1 1 1   29   13   13 o   70.935   9.6305  316.288   62.543  307.241   67.857  367.356  161.224   69.190   7.7227   72.680   17.645 -3.489471 19.26101 
1 1 1   29   13   14 o  209.200   4.6194  2861.64   90.318  2890.55   98.938  2717.11  221.236  213.066   3.6566  205.333   8.4844 7.732986 9.238773 
1 1 1   29   13   15 o  142.348   5.5377  1389.26   65.453  1418.75   70.291  1196.86  179.537  149.224   3.7092  135.471   10.436 13.75244 11.07546 
1 1 1   29   13   16 o   36.997   9.3858   87.569   50.114  108.157   52.990 -86.7891  154.207   39.893   10.366   34.101   15.650 5.791527 18.77164 
1 1 1   29   15    0 o  184.121   5.4823  2090.47  115.494  1996.10  135.059  2347.25  222.791  176.925   6.0111  191.317   9.1699 -14.39183 10.96454 
1 1 1   29   15    1 o  339.771   4.5980  6980.48  168.389  6661.24  190.668  8112.04  358.974  323.471   4.6416  356.070   7.9387 -32.59808 9.196044 
1 1 1   29   15    2 o  301.665   4.9149  6093.51  178.075  6956.33  228.892  4770.49  283.434  330.374   5.4556  272.956   8.1768 57.41858 9.829734 
1 1 1   29   15    3 o   91.178   10.223  566.773  102.639  589.400  122.141  512.396  189.345   95.723   10.048   86.632   17.806 9.091766 20.44521 
1 1 1   29   15    4 o  158.055   5.8443  1534.31  104.228  1461.58  120.791  1746.30  206.222  151.324   6.2857  164.786   9.8546 -13.46185 11.68854 
1 1 1   29   15    5 o  137.011   6.6009  1285.28   95.670  1360.04  110.431  1060.35  191.548  146.001   5.9560  128.021   11.782 17.97919 13.20183 
1 1 1   29   15    6 f  149.226   5.6057  1353.91   93.310  1280.74  107.294  1580.99  189.025  141.663   5.9640  156.789   9.4935 -15.12553 11.21141 
1 1 1   29   15    7 o  138.355   6.0381  1295.86   90.812  1368.09  105.982  1096.33  176.148  146.425   5.6995  130.284   10.647 16.14105 12.07615 
1 1 1   29   15    8 o  166.503   5.5549  1857.69   94.595  1917.60  106.991  1643.18  202.461  173.445   4.8575  159.560   9.9917 13.88516 11.10986 
1 1 1   29   15    9 o  139.216   5.7026  1104.04   80.745  1020.78   88.955  1493.64  192.428  126.437   5.5401  151.995   9.9692 -25.55849 11.40515 
1 1 1   29   15   10 o  129.793   6.3364  1165.55   78.872  1212.84   87.752  966.719  179.929  137.856   5.0125  121.730   11.639 16.12586 12.67271 
1 1 1   29   15   11 o   60.637   11.183  176.271   74.518  117.272   82.464  438.929  173.994   42.366   13.557   78.909   17.788 -36.54354 22.36534 
1 1 1   29   15   12 o  124.878   5.2218  997.495   82.810  997.495   82.810   0.0000   0.0000  124.878   5.2218  ?   ?       ?      ? 
1 1 1   29   15   13 o   71.676   7.3650  331.853   67.038  331.853   67.038   0.0000   0.0000   71.676   7.3650  ?   ?       ?      ? 
1 1 1   29   17    0 o   91.484   8.9641  494.085   96.955  412.611  114.454  701.110  182.446   79.690   11.310  103.278   13.911 -23.58812 17.92814 
1 1 1   29   17    1 o  449.610   5.0187 13048.46  253.729 13157.36  297.299 12756.44  486.838  454.080   5.1556  445.140   8.6121 8.940643 10.03740 
1 1 1   29   17    2 o  176.452   5.4731  1982.14  107.835  1962.76  125.296  2037.52  211.764  175.280   5.6290  177.625   9.3879 -2.345444 10.94616 
1 1 1   29   17    3 o  163.456   5.6271  1759.05  101.448  1803.72  118.202  1634.14  197.669  168.022   5.5396  158.890   9.7964 9.132553 11.25418 
1 1 1   29   17    4 o  141.683   6.4635  1348.86   97.023  1395.20  111.322  1202.43  197.886  147.672   5.9361  135.694   11.484 11.97816 12.92709 
1 1 1   29   17    5 o  237.288   4.7255  3610.92  120.729  3609.64  138.097  3615.09  248.663  237.850   4.5720  236.728   8.2715 1.121902 9.450978 
1 1 1   29   17    6 o  231.104   4.9525  3422.80  132.868  3407.05  158.438  3460.12  243.918  230.786   5.4059  231.422   8.2997 -0.6359253 9.905011 
1 1 1   29   17    7 o   26.412   12.368 -94.8570  103.913 -94.8570  103.913   0.0000   0.0000   26.412   12.368  ?   ?       ?      ? 
1 1 1   29   17    8 o  103.740   8.1212  697.481  106.990  697.481  106.990   0.0000   0.0000  103.740   8.1212  ?   ?       ?      ? 
1 1 1   29   17    9 o  125.255   6.9248  1013.11  110.148  1013.11  110.148   0.0000   0.0000  125.255   6.9248  ?   ?       ?      ? 
1 1 1   29   19    0 o   92.100   10.899  527.546  117.059  417.802  138.465  802.470  219.158   76.975   14.701  107.224   16.095 -30.24945 21.79827 
1 1 1   29   19    1 o  100.743   11.401  677.610  145.857  677.610  145.857   0.0000   0.0000  100.743   11.401  ?   ?       ?      ? 
1 1 1   29   19    3 o   72.238   15.299  375.451  135.983  375.451  135.983   0.0000   0.0000   72.238   15.299  ?   ?       ?      ? 
1 1 1   29   19    4 o  234.382   5.9635  3544.51  177.501  3544.51  177.501   0.0000   0.0000  234.382   5.9635  ?   ?       ?      ? 
1 1 1   29   19    6 f  138.368   8.2035  1258.79  144.149  1258.79  144.149   0.0000   0.0000  138.368   8.2035  ?   ?       ?      ? 
1 1 1   29   19    7 o  126.590   8.1555  1056.33  131.107  1056.33  131.107   0.0000   0.0000  126.590   8.1555  ?   ?       ?      ? 
1 1 1   29   21    0 o   57.409   18.256  273.725  149.729  273.725  149.729   0.0000   0.0000   57.409   18.256  ?   ?       ?      ? 
1 1 1   29   21    1 o  150.514   8.5649  1523.04  163.711  1523.04  163.711   0.0000   0.0000  150.514   8.5649  ?   ?       ?      ? 
1 1 1   29   21    2 o   43.469   17.872  117.349  158.546  117.349  158.546   0.0000   0.0000   43.469   17.872  ?   ?       ?      ? 
1 1 1   30    0    0 o  175.037   4.4527  1953.33  139.563  1953.33  139.563  1953.33  139.563  175.037   6.2971  175.037   6.2971 -0.000000 0.000000 
1 1 1   30    0    1 o  566.963   4.8423 20424.64  492.898 20424.64  492.898 20424.64  492.898  566.963   6.8481  566.963   6.8481 -0.000000 0.000000 
1 1 1   30    0    2 o  2365.99   18.335 356896.50  7788.95 356896.50  7788.95 356896.50  7788.95  2365.99   25.930  2365.99   25.930 -0.000000 0.000000 
1 1 1   30    0    3 o  2050.18   15.906 267794.50  5855.13 267794.50  5855.13 267794.50  5855.13  2050.18   22.495  2050.18   22.495 -0.000000 0.000000 
1 1 1   30    0    4 o  1082.79   8.5385 74546.12  1659.95 74546.12  1659.95 74546.12  1659.95  1082.79   12.075  1082.79   12.075 -0.000000 0.000000 
1 1 1   30    0    5 o  934.085   7.4295 55473.49  1245.98 55473.49  1245.98 55473.49  1245.98  934.085   10.507  934.085   10.507 -0.000000 0.000000 
1 1 1   30    0    6 f  646.946   5.3499 26603.30  621.405 26603.30  621.405 26603.30  621.405  646.946   7.5659  646.946   7.5659 -0.000000 0.000000 
1 1 1   30    0    7 o   16.922   8.2414 -62.1523   82.843 -62.1523   82.843 -62.1523   82.843   16.922   11.655   16.922   11.655 -0.000000 0.000000 
1 1 1   30    0    8 o  161.134   3.4880  1654.01  100.724  1654.01  100.724  1654.01  100.724  161.134   4.9328  161.134   4.9328 -0.000000 0.000000 
1 1 1   30    0    9 o  164.504   3.4457  1723.74  101.599  1723.74  101.599  1723.74  101.599  164.504   4.8730  164.504   4.8730 -0.000000 0.000000 
1 1 1   30    0   10 o   41.880   11.427  152.511   81.528  152.511   81.528  152.511   81.528   41.880   16.161   41.880   16.161 -0.000000 0.000000 
1 1 1   30    0   11 o  137.081   3.9220  1200.00   96.198  1200.00   96.198  1200.00   96.198  137.081   5.5466  137.081   5.5466 -0.000000 0.000000 
1 1 1   30    0   12 o   84.746   5.6344  468.820   84.013  468.820   84.013  468.820   84.013   84.746   7.9683   84.746   7.9683 -0.000000 0.000000 
1 1 1   30    0   13 o  504.629   4.3961 16197.09  398.273 16197.09  398.273 16197.09  398.273  504.629   6.2170  504.629   6.2170 -0.000000 0.000000 
1 1 1   30    0   14 o  190.022   3.3569  2298.91  114.400  2298.91  114.400  2298.91  114.400  190.022   4.7474  190.022   4.7474 -0.000000 0.000000 
1 1 1   30    0   15 o  125.794   4.2605  1013.16   95.750  1013.16   95.750  1013.16   95.750  125.794   6.0253  125.794   6.0253 -0.000000 0.000000 
1 1 1   30    0   16 o  330.183   3.4944  6935.00  207.111  6935.00  207.111  6935.00  207.111  330.183   4.9418  330.183   4.9418 -0.000000 0.000000 
1 1 1   30    0   17 o  247.480   3.3301  3897.73  147.890  3897.73  147.890  3897.73  147.890  247.480   4.7095  247.480   4.7095 -0.000000 0.000000 
1 1 1   30    0   18 o  637.154   5.4138 25876.70  619.291 25876.70  619.291 25876.70  619.291  637.154   7.6562  637.154   7.6562 -0.000000 0.000000 
1 1 1   30    0   19 o   14.258   7.3727 -289.1994  117.326 -289.1994  117.326 -289.1994  117.326   14.258   10.427   14.258   10.427 -0.000000 0.000000 
1 1 1   30    0   20 o  305.316   3.6353  5935.60  199.210  5935.60  199.210  5935.60  199.210  305.316   5.1412  305.316   5.1412 -0.000000 0.000000 
1 1 1   30    0   21 o   67.830   10.143  332.616  108.704  332.616  108.704  332.616  108.704   67.830   14.345   67.830   14.345 -0.000000 0.000000 
1 1 1   30    0   22 o  291.442   3.5983  5413.99  188.210  5413.99  188.210  5413.99  188.210  291.442   5.0888  291.442   5.0888 -0.000000 0.000000 
1 1 1   30    0   23 o  247.992   3.5987  3924.92  160.126  3924.92  160.126  3924.92  160.126  247.992   5.0893  247.992   5.0893 -0.000000 0.000000 
1 1 1   30    0   24 o   76.768   9.7302  419.745  121.323  419.745  121.323  419.745  121.323   76.768   13.761   76.768   13.761 -0.000000 0.000000 
1 1 1   30    0   25 o   19.184   9.4679 -102.8449  119.035 -102.8449  119.035 -102.8449  119.035   19.184   13.390   19.184   13.390 -0.000000 0.000000 
1 1 1   30    0   26 o   49.290   13.584  228.060  114.746  228.060  114.746  228.060  114.746   49.290   19.211   49.290   19.211 -0.000000 0.000000 
1 1 1   30    0   27 o   23.830   11.584 -75.0273  161.828 -75.0273  161.828 -75.0273  161.828   23.830   16.382   23.830   16.382 -0.000000 0.000000 
1 1 1   30    2    0 o  229.204   3.6860  3336.56  107.213  3333.21  148.822  3340.19  154.585  229.085   5.1156  229.322   5.3082 -0.2371674 7.371945 
1 1 1   30    2    1 o  817.310   6.5920 42444.73  684.066 41931.37  955.938 42983.50  979.315  812.250   9.2675  822.369   9.3773 -10.11798 13.18409 
1 1 1   30    2    2 o  2360.72   18.374 356632.69  5507.92 359043.81  7846.20 354290.31  7733.76  2368.52   26.086  2352.93   25.882 15.58643 36.74737 
1 1 1   30    2    3 o  1459.34   11.401 135678.70  2112.83 135962.70  2993.29 135396.70  2982.72  1460.85   16.135  1457.82   16.111 3.036621 22.80148 
1 1 1   30    2    4 o  1128.14   10.903 81044.07  1470.83 80931.38  1798.91 81271.35  2554.60  1127.63   12.562  1128.64   17.823 -1.008301 21.80548 
1 1 1   30    2    5 o  409.398   3.8326 10647.58  199.227 10609.42  279.109 10687.21  284.468  408.652   5.3783  410.144   5.4616 -1.492065 7.665170 
1 1 1   30    2    6 o  300.536   3.3834  5739.48  129.100  5804.47  181.316  5672.66  183.859  302.264   4.7236  298.808   4.8452 3.455963 6.766731 
1 1 1   30    2    7 o  102.760   4.8613  670.940   63.371  659.477   87.316  683.699   92.117  101.837   6.7517  103.684   6.9960 -1.847694 9.722602 
1 1 1   30    2    8 o  197.350   3.3579  2473.93   84.133  2542.83  120.588  2408.57  117.438  200.026   4.7472  194.674   4.7503 5.352112 6.715770 
1 1 1   30    2    9 o  402.766   3.7935 10273.54  193.559  9755.68  262.757 10887.98  286.211  391.720   5.2820  413.812   5.4463 -22.09195 7.587002 
1 1 1   30    2   10 o   63.890   7.5427  272.274   57.663  364.668   81.766  180.863   81.330   75.646   8.5116   52.134   12.455 23.51226 15.08549 
1 1 1   30    2   11 o  253.394   3.2543  4082.19  104.670  4246.43  148.553  3920.26  147.505  258.461   4.5259  248.327   4.6774 10.13402 6.508636 
1 1 1   30    2   12 o  111.919   4.3775  797.453   62.182  765.666   87.858  829.357   88.019  109.679   6.3078  114.159   6.0714 -4.480690 8.755044 
1 1 1   30    2   13 o   58.460   7.9811  224.071   57.621  160.462   79.638  293.953   83.473   49.092   12.684   67.827   9.6909 -18.73495 15.96211 
1 1 1   30    2   14 o  163.157   3.5986  1697.85   74.369  1605.44  107.067  1784.00  103.378  158.843   5.3078  167.471   4.8608 -8.628677 7.197214 
1 1 1   30    2   15 o  350.514   3.5403  7815.73  157.565  7988.74  224.737  7648.48  220.972  354.330   4.9945  346.699   5.0189 7.631470 7.080531 
1 1 1   30    2   16 o  236.369   3.3186  3554.18   99.601  3481.56  139.611  3629.45  142.137  233.910   4.7000  238.828   4.6864 -4.917908 6.637191 
1 1 1   30    2   17 o   70.612   8.0847  325.556   70.740  357.961  101.286  294.697   98.841   74.621   10.688   66.603   12.133 8.017410 16.16946 
1 1 1   30    2   19 f  132.411   5.3020  1127.91   88.401  961.257  125.094  1294.16  124.944  122.511   8.0405  142.310   6.9135 -19.79881 10.60406 
1 1 1   30    2   20 o   72.517   8.9093  361.693   76.686  543.214  110.105  190.686  106.869   91.870   9.4375   53.163   15.114 38.70783 17.81864 
1 1 1   30    2   21 o  227.800   5.2278  3311.86  151.235   0.0000   0.0000  3311.86  151.235  ?   ?   227.800   5.2278      ?      ? 
1 1 1   30    2   22 o  171.412   4.2687  1876.64   92.793  1780.25  127.280  1986.00  135.571  166.733   6.0112  176.091   6.0625 -9.358536 8.537468 
1 1 1   30    2   23 o  160.453   4.2918  1656.56   87.271  1751.79  122.283  1557.70  124.589  165.232   5.8276  155.673   6.3021 9.559372 8.583599 
1 1 1   30    2   24 o   24.383   8.4954 -264.5973   94.053 -210.6819  130.007 -323.8018  136.234   25.520   12.433   23.246   11.580 2.273367 16.99085 
1 1 1   30    2   25 o   90.857   7.4065  554.953   85.286  539.107  123.335  569.472  118.063   89.428   10.860   92.287   10.074 -2.858742 14.81306 
1 1 1   30    2   26 o   75.280   9.0539  401.749   84.695  374.827  115.791  432.727  124.206   71.988   13.151   78.572   12.448 -6.583427 18.10772 
1 1 1   30    4    0 o  673.427   7.8704 28818.24  673.078 28818.24  673.078   0.0000   0.0000  673.427   7.8704  ?   ?       ?      ? 
1 1 1   30    4    1 o  967.581   7.6977 59540.55  945.837 59362.23  1332.46 59721.66  1342.83  966.124   10.860  969.037   10.912 -2.913025 15.39539 
1 1 1   30    4    2 o  1077.59   8.5167 73880.85  1165.29 73172.51  1630.54 74620.30  1665.95  1072.32   11.974  1082.85   12.115 -10.52844 17.03345 
1 1 1   30    4    3 o  1018.67   8.0784 66030.79  1044.87 65366.93  1461.12 66725.59  1494.78  1013.45   11.353  1023.90   11.496 -10.44824 16.15687 
1 1 1   30    4    4 o  604.069   5.0804 23195.84  389.721 23377.38  552.690 23016.31  549.622  606.420   7.1768  601.717   7.1927 4.703003 10.16079 
1 1 1   30    4    5 o  616.731   5.1603 24186.72  404.125 24152.92  568.049 24221.37  575.054  616.299   7.2580  617.162   7.3372 -0.8626709 10.32053 
1 1 1   30    4    6 o  484.802   4.2957 14934.38  264.392 15331.64  379.353 14559.14  368.687  491.066   6.0831  478.537   6.0669 12.52969 8.591345 
1 1 1   30    4    7 o  345.292   3.5311  7571.12  154.693  7421.99  213.379  7736.33  224.588  341.717   4.9171  348.867   5.0693 -7.150238 7.062265 
1 1 1   30    4    8 o  330.237   3.4613  6919.01  144.922  6712.01  198.307  7156.28  212.310  324.953   4.8055  335.521   4.9828 -10.56863 6.922521 
1 1 1   30    4    9 f  300.785   3.3782  5740.43  128.764  5596.62  175.567  5907.85  189.422  296.724   4.6592  304.846   4.8930 -8.121826 6.756437 
1 1 1   30    4   10 o  181.655   3.4296  2089.80   78.911  1990.19  107.004  2208.56  116.839  176.932   4.7623  186.377   4.9365 -9.445740 6.859148 
1 1 1   30    4   11 o  283.688   3.3035  5106.75  118.873  4913.80  163.370  5323.87  173.293  278.008   4.6274  289.369   4.7158 -11.36066 6.606915 
1 1 1   30    4   12 o  280.125   3.3104  4990.60  117.744  5073.65  165.994  4906.51  167.041  282.476   4.6274  277.775   4.7354 4.701019 6.620893 
1 1 1   30    4   13 o  170.301   3.6168  1843.54   78.123  1816.38  107.511  1873.92  113.716  168.980   5.0100  171.622   5.2176 -2.642090 7.233531 
1 1 1   30    4   14 o  221.061   3.3129  3109.53   92.960  3150.28  130.046  3066.95  132.932  222.550   4.6014  219.573   4.7673 2.977173 6.625736 
1 1 1   30    4   15 o  159.610   3.7161  1625.77   75.074  1770.70  105.888  1479.27  106.456  166.800   4.9989  152.420   5.4998 14.37976 7.432145 
1 1 1   30    4   16 o  178.122   3.7024  2017.49   83.623  2180.26  120.552  1866.54  116.096  185.047   5.1300  171.197   5.3400 13.85002 7.404884 
1 1 1   30    4   17 o  148.699   4.6364  1408.51   87.047  1625.72  126.179  1211.26  120.242  159.655   6.2234  137.742   6.8740 21.91267 9.272706 
1 1 1   30    4   18 o  122.082   5.7451  965.205   87.619  1026.39  116.320  884.956  133.215  126.712   7.2287  117.451   8.9314 9.261246 11.49011 
1 1 1   30    4   19 o  130.628   4.9631  1090.89   82.317  1062.38  115.610  1120.20  117.236  128.892   7.0630  132.365   6.9744 -3.472855 9.926187 
1 1 1   30    4   20 o  238.017   3.6705  3614.42  110.898  3646.74  155.015  3580.54  158.719  239.125   5.1047  236.909   5.2756 2.215622 7.340961 
1 1 1   30    4   21 o  266.133   3.5435  4520.42  119.745  4621.10  170.071  4421.45  168.627  269.081   4.9770  263.185   5.0453 5.895447 7.087024 
1 1 1   30    4   22 o  160.573   4.2661  1654.10   86.936  1714.61  122.567  1592.83  123.329  163.564   5.9007  157.582   6.1628 5.981979 8.532261 
1 1 1   30    4   23 o   28.969   9.3390 -55.0821   75.821 -52.8563  103.730 -57.6356  111.103   28.533   12.996   29.404   13.415 -0.8713932 18.67801 
1 1 1   30    4   24 o  323.751   5.5967  6749.54  230.101   0.0000   0.0000  6749.54  230.101  ?   ?   323.751   5.5967      ?      ? 
1 1 1   30    4   25 o  132.663   7.4874  1185.89  125.614  1241.44  187.906  1141.00  168.900  135.182   10.946  130.144   10.219 5.037338 14.97490 
1 1 1   30    4   26 o  120.261   8.7243  1021.91  133.230  1034.22  188.358  1009.59  188.474  121.072   12.251  119.451   12.425 1.621490 17.44862 
1 1 1   30    6    0 o  644.541   5.4193 26400.60  443.468 27106.70  635.520 25730.48  619.118  652.936   7.6645  636.146   7.6637 16.79077 10.83864 
1 1 1   30    6    1 o  262.960   3.6535  4380.98  121.069  4295.53  160.805  4492.79  183.956  260.018   4.8699  265.901   5.4477 -5.883026 7.307087 
1 1 1   30    6    2 o  329.856   5.3526  6914.40  224.216   0.0000   0.0000  6914.40  224.216  ?   ?   329.856   5.3526      ?      ? 
1 1 1   30    6    3 o  378.339   3.8265  9083.09  183.198  8931.40  247.897  9265.62  271.930  374.878   5.2072  381.800   5.6085 -6.922119 7.653078 
1 1 1   30    6    4 o  123.567   4.8058  960.260   74.297  911.342   96.073  1033.04  117.187  119.711   6.3196  127.424   7.2419 -7.712196 9.611591 
1 1 1   30    6    5 o  701.299   5.7740 31318.35  514.199 31270.49  722.938 31367.35  731.512  700.767   8.1236  701.831   8.2075 -1.063660 11.54801 
1 1 1   30    6    6 o  120.944   4.9513  931.569   74.854  934.683   97.694  927.140  116.489  121.214   6.3466  120.674   7.6013 0.5391922 9.902500 
1 1 1   30    6    7 o  663.154   5.5067 28005.50  463.728 28347.03  659.272 27671.06  652.405  667.157   7.7814  659.151   7.7939 8.005798 11.01340 
1 1 1   30    6    8 o  413.077   3.8971 10845.01  204.204 10712.20  281.419 10992.69  296.767  410.421   5.3994  415.732   5.6211 -5.311523 7.794289 
1 1 1   30    6    9 o  273.024   3.4479  4745.00  119.070  4803.44  161.887  4676.12  175.745  274.875   4.6377  271.172   5.1034 3.702820 6.895852 
1 1 1   30    6   10 o   79.429   6.7958  397.728   66.700  381.493   84.279  424.944  109.119   77.334   8.5817   81.524   10.540 -4.190224 13.59169 
1 1 1   30    6   11 o  126.130   4.5190  1006.54   70.849  982.672   90.790  1043.72  113.298  124.263   5.7533  127.997   6.9702 -3.734352 9.037937 
1 1 1   30    6   12 o  499.244   4.4051 15868.40  279.182 15742.07  388.881 16002.75  401.047  497.211   6.1588  501.278   6.3000 -4.066833 8.810280 
1 1 1   30    6   13 o  391.203   3.7916  9741.11  188.233  9748.22  261.394  9733.46  271.285  391.370   5.2593  391.038   5.4630 0.3320923 7.583188 
1 1 1   30    6   14 o  299.024   3.4527  5682.37  130.800  5580.39  178.245  5801.36  192.540  296.140   4.7396  301.907   5.0219 -5.767059 6.905320 
1 1 1   30    6   15 o  184.240   3.7228  2141.85   86.438  2011.72  114.115  2317.02  132.397  177.755   5.0552  190.724   5.4663 -12.96844 7.445543 
1 1 1   30    6   16 o  278.681   3.5416  4940.65  125.037  5432.94  179.954  4481.12  173.862  292.115   4.8510  265.248   5.1615 26.86707 7.083292 
1 1 1   30    6   17 o  382.393   3.9564  9306.27  191.959  9817.33  277.929  8840.08  265.444  392.420   5.5771  372.367   5.6134 20.05286 7.912872 
1 1 1   30    6   18 o  216.712   3.6902  3000.58  100.865  3058.05  135.723  2929.68  150.747  219.087   4.8782  214.336   5.5383 4.751602 7.380345 
1 1 1   30    6   19 o  257.130   3.6047  4207.86  117.344  4115.49  159.068  4318.15  173.809  254.076   4.9299  260.184   5.2603 -6.108551 7.209392 
1 1 1   30    6   20 o  183.924   3.9977  2162.74   92.862  2171.09  125.092  2152.48  138.596  184.383   5.3423  183.466   5.9486 0.9174957 7.995423 
1 1 1   30    6   21 o  157.529   4.3228  1584.97   86.273  1509.25  117.195  1674.56  127.470  153.461   6.0136  161.597   6.2115 -8.136032 8.645565 
1 1 1   30    6   22 o  216.643   3.7662  2989.41  102.982  2847.28  136.992  3174.09  156.161  210.838   5.1165  222.448   5.5280 -11.60997 7.532381 
1 1 1   30    6   23 o  236.416   8.8261  3668.10  264.985   0.0000   0.0000  3668.10  264.985  ?   ?   236.416   8.8261      ?      ? 
1 1 1   30    6   24 o  151.128   6.8597  1518.73  131.359  1395.59  179.751  1659.86  192.438  144.508   9.7949  157.747   9.6062 -13.23956 13.71931 
1 1 1   30    6   25 o  113.476   9.3952  914.522  134.568  947.705  202.821  888.427  179.859  114.700   13.924  112.252   12.617 2.448196 18.79033 
1 1 1   30    8    0 o  144.900   4.8047  1334.94   87.530  1329.28  115.777  1342.48  133.726  144.562   6.3065  145.237   7.2504 -0.6749573 9.609386 
1 1 1   30    8    1 o  284.797   3.7556  5131.73  134.431  4990.13  176.732  5326.14  207.082  280.181   4.9671  289.414   5.6344 -9.233002 7.511180 
1 1 1   30    8    2 o  216.399   3.9246  2999.10  105.497  3086.80  136.841  2870.59  165.642  220.362   4.8899  212.436   6.1400 7.925949 7.849219 
1 1 1   30    8    3 o  281.956   3.7350  5078.10  132.204  5221.59  175.642  4890.55  200.805  286.604   4.8258  277.308   5.7021 9.296021 7.470080 
1 1 1   30    8    4 o  291.091   3.7082  5401.81  135.741  5493.19  180.666  5283.35  205.695  293.955   4.8397  288.226   5.6197 5.728790 7.416428 
1 1 1   30    8    5 o  363.286   3.8087  8390.17  174.822  8365.21  235.500  8420.79  260.919  362.713   5.1127  363.860   5.6467 -1.147491 7.617403 
1 1 1   30    8    6 o   52.755   9.6229  154.392   69.322   59.023   87.122  318.966  114.448   36.144   13.739   69.367   13.478 -33.22255 19.24585 
1 1 1   30    8    7 o  588.454   5.0353 22056.73  376.237 22225.80  529.102 21883.81  535.107  590.752   7.0527  586.156   7.1887 4.596680 10.07066 
1 1 1   30    8    8 o  295.951   3.5816  5564.92  133.541  5525.79  177.707  5615.68  202.405  294.787   4.7470  297.115   5.3644 -2.328339 7.163122 
1 1 1   30    8    9 o  291.239   3.5803  5416.23  131.340  5576.06  176.418  5217.49  196.724  296.114   4.6914  286.363   5.4096 9.751099 7.160520 
1 1 1   30    8   10 o  252.287   3.5112  4011.83  110.483  3861.77  142.172  4240.61  175.546  246.423   4.5431  258.150   5.3548 -11.72655 7.022355 
1 1 1   30    8   11 o  259.170   3.4892  4258.94  113.945  4161.23  151.183  4387.42  173.370  255.769   4.6546  262.570   5.1994 -6.801239 6.978414 
1 1 1   30    8   12 o   53.091   9.7375  166.091   66.090  103.700   81.594  285.103  112.692   40.968   13.513   65.214   14.024 -24.24516 19.47495 
1 1 1   30    8   13 o  222.952   3.6418  3091.86  100.617  2855.25  127.015  3490.49  164.862  211.813   4.7220  234.091   5.5457 -22.27832 7.283696 
1 1 1   30    8   14 o  356.088   4.7305  7958.87  200.197  8466.40  356.815  7725.70  241.851  363.943   7.7203  348.233   5.4689 15.70978 9.461046 
1 1 1   30    8   15 o  481.479   5.3603 15101.17  315.633 15977.17  402.920 13709.74  507.806  500.396   6.3406  462.562   8.6447 37.83362 10.72069 
1 1 1   30    8   16 o  143.750   4.6436  1327.90   83.600  1374.38  110.613  1265.97  127.669  146.778   5.9343  140.722   7.1441 6.055756 9.287254 
1 1 1   30    8   17 o  103.817   6.1154  663.247   78.114  584.305   96.990  808.979  131.781   95.473   7.9996  112.160   9.2520 -16.68676 12.23084 
1 1 1   30    8   18 o  203.551   3.8924  2627.21   99.405  2536.14  129.858  2756.10  154.487  199.391   5.1285  207.712   5.8567 -8.320709 7.784727 
1 1 1   30    8   19 o  191.081   4.0506  2339.87   96.554  2363.23  125.682  2306.23  150.827  192.376   5.1445  189.786   6.2580 2.590591 8.101170 
1 1 1   30    8   20 o   86.340   7.9754  547.341   71.943  616.206   85.920  385.811  131.590   97.880   6.9123   74.800   14.375 23.07958 15.95071 
1 1 1   30    8   21 o   26.413   9.3104 -181.4988   74.668 -183.1105   81.553 -173.1447  185.677   18.614   9.2190   34.213   16.178 -15.59896 18.62077 
1 1 1   30    8   22 o  289.239   6.1010  5333.92  220.809  6750.71  345.104  4351.87  287.321  321.029   8.4650  257.449   8.7882 63.58047 12.20198 
1 1 1   30    8   23 o  249.357   5.5835  4085.93  176.691  4102.46  245.800  4068.26  254.167  250.042   7.7409  248.672   8.0485 1.369720 11.16692 
1 1 1   30    8   24 o  122.002   8.9136  1051.45  137.444  1033.05  202.893  1067.06  186.847  120.349   13.275  123.656   11.899 -3.306953 17.82730 
1 1 1   30   10    0 o  331.000   4.0168  6962.03  165.942  6929.65  215.380  7009.32  260.306  330.109   5.1377  331.891   6.1761 -1.781952 8.033673 
1 1 1   30   10    1 o  174.794   4.2629  1911.36   93.052  1776.82  119.463  2118.92  148.378  167.128   5.6287  182.460   6.4036 -15.33189 8.525747 
1 1 1   30   10    2 o  143.210   4.9594  1314.89   88.014  1348.41  113.543  1264.42  139.314  145.561   6.1424  140.858   7.7882 4.703354 9.918871 
1 1 1   30   10    3 o  380.720   4.0848  9224.04  195.170  9231.07  257.124  9214.48  299.785  380.952   5.3149  380.488   6.2043 0.4637146 8.169536 
1 1 1   30   10    4 o  156.582   4.5472  1548.56   89.164  1490.25  115.829  1633.38  139.690  153.023   5.9605  160.142   6.8688 -7.119644 9.094409 
1 1 1   30   10    5 o  304.759   3.7933  5900.44  144.952  5856.02  190.121  5962.12  224.010  303.437   4.9338  306.081   5.7631 -2.644226 7.586528 
1 1 1   30   10    6 o  154.555   4.5586  1520.67   88.391  1517.31  116.258  1525.26  136.076  154.389   5.9296  154.722   6.9255 -0.3333893 9.117197 
1 1 1   30   10    7 o  367.665   3.8971  8579.24  180.337  8429.32  238.625  8778.89  275.373  363.982   5.1625  371.347   5.8393 -7.365173 7.794168 
1 1 1   30   10    8 o  493.599   4.5015 15467.24  280.731 15011.16  376.069 16041.25  421.899  485.477   6.0999  501.721   6.6217 -16.24417 9.003076 
1 1 1   30   10    9 o  185.137   4.0784  2147.42   93.609  2029.30  118.651  2342.14  152.342  178.553   5.2327  191.722   6.2571 -13.16917 8.156741 
1 1 1   30   10   10 o  105.164   6.3948  669.820   81.735  586.672   99.660  840.657  142.851   95.807   8.1911  114.521   9.8224 -18.71454 12.78966 
1 1 1   30   10   11 o  288.509   4.8765  5298.69  178.666  5298.69  178.666   0.0000   0.0000  288.509   4.8765  ?   ?       ?      ? 
1 1 1   30   10   12 o  243.956   5.1240  3790.29  158.744  3790.29  158.744   0.0000   0.0000  243.956   5.1240  ?   ?       ?      ? 
1 1 1   30   10   13 o  505.258   4.6819 16303.42  300.288 16523.73  420.529 16074.20  428.937  508.789   6.5085  501.728   6.7321 7.060577 9.363821 
1 1 1   30   10   14 o  120.423   5.8695  927.662   85.347  924.021  105.415  934.591  145.409  120.250   6.9030  120.595   9.4948 -0.3450851 11.73893 
1 1 1   30   10   15 o  243.236   4.9047  3770.04  151.501  3770.04  151.501   0.0000   0.0000  243.236   4.9047  ?   ?       ?      ? 
1 1 1   30   10   16 o  377.022   4.7083  9118.09  222.487  8941.45  341.608  9248.21  293.199  373.602   7.2002  380.442   6.0687 -6.840149 9.416545 
1 1 1   30   10   17 o  212.174   4.0789  2832.43  104.736  2733.43  128.755  3026.09  180.074  206.978   4.8985  217.370   6.5234 -10.39172 8.157799 
1 1 1   30   10   18 o  199.035   4.2199  2572.41  100.534  2646.34  124.107  2431.31  171.456  203.562   4.8009  194.508   6.9413 9.054413 8.439771 
1 1 1   30   10   19 o  125.643   6.6467  1034.30   84.147  1037.12   94.049  1023.00  188.407  127.123   5.8257  124.162   11.949 2.961678 13.29350 
1 1 1   30   10   20 o  235.844   6.5558  3653.26  195.411  3653.29  263.971  3653.23  290.658  236.235   8.7990  235.454   9.7207 0.7803955 13.11165 
1 1 1   30   10   21 o   43.197   12.504 -41.3520  140.901  234.045  179.597 -482.2093  227.232   56.231   19.999   30.162   15.014 26.06883 25.00755 
1 1 1   30   12    0 o  157.614   4.8967  1627.22   83.807  1670.80   96.886  1497.71  167.028  162.077   4.7072  153.150   8.5880 8.926254 9.793452 
1 1 1   30   12    1 o   46.090   10.312  141.727   71.132  187.717   84.141   26.525  133.171   52.995   12.674   39.185   16.269 13.81020 20.62307 
1 1 1   30   12    2 o  219.570   4.2006  3012.42  100.151  2960.61  114.479  3181.39  206.750  215.780   4.1777  223.359   7.2889 -7.579422 8.401278 
1 1 1   30   12    3 o   46.765   10.809  134.533   68.151  136.943   79.141  127.617  134.059   45.566   13.025   47.965   17.255 -2.399818 21.61867 
1 1 1   30   12    4 o  186.166   4.2102  2129.42   87.879  2046.72  101.623  2374.63  174.992  179.380   4.4611  192.952   7.1415 -13.57196 8.420366 
1 1 1   30   12    5 o  240.410   4.0775  3700.53  106.899  3719.13  123.108  3643.52  215.535  241.837   4.0085  238.983   7.1019 2.853195 8.155070 
1 1 1   30   12    6 o  214.994   4.0015  3011.74   95.357  3086.64  111.299  2805.00  184.910  220.308   3.9782  209.681   6.9442 10.62665 8.002992 
1 1 1   30   12    7 o  207.809   4.2475  2602.50   92.335  2496.33  103.371  3021.58  205.378  198.104   4.1089  217.514   7.4352 -19.40984 8.495008 
1 1 1   30   12    8 o  163.820   4.7225  1549.77   80.586  1441.90   89.588  2007.02  184.448  150.510   4.6871  177.130   8.1998 -26.61954 9.444919 
1 1 1   30   12    9 o  355.325   4.4759  7743.50  165.514  7523.94  185.437  8603.76  367.061  343.869   4.2464  366.780   7.8805 -22.91104 8.951805 
1 1 1   30   12   10 o  393.964   5.0048 10209.30  241.644 11356.45  315.166  8573.06  376.403  421.991   5.8811  365.938   8.0997 56.05365 10.00961 
1 1 1   30   12   11 o  226.079   4.5323  3345.05  118.879  3475.61  143.303  3056.90  212.889  233.598   4.8307  218.561   7.6701 15.03664 9.064570 
1 1 1   30   12   12 o  303.466   4.2203  6070.19  137.926  6254.36  159.028  5511.05  277.089  313.488   3.9946  293.444   7.4356 20.04352 8.440686 
1 1 1   30   12   13 o  133.463   5.5444  1071.15   69.748  1038.34   75.824  1251.62  177.822  127.654   4.6773  139.273   10.054 -11.61907 11.08882 
1 1 1   30   12   14 o  113.770   6.8715  803.624   67.057  792.249   71.760  881.971  188.335  111.434   5.0709  116.105   12.773 -4.670616 13.74302 
1 1 1   30   12   15 o  190.235   4.4841  2356.58   81.500  2377.31   89.738  2259.02  194.724  193.213   3.6573  187.257   8.1885 5.956039 8.968103 
1 1 1   30   12   16 o   92.911   7.6013  533.516   55.059  525.344   58.066  606.320  173.324   90.655   5.0437   95.167   14.342 -4.511307 15.20261 
1 1 1   30   12   17 o   55.703   19.568  210.043  171.473   0.0000   0.0000  210.043  171.473  ?   ?    55.703   19.568      ?      ? 
1 1 1   30   14    0 o   91.582   8.2224  564.322   83.972  594.230   99.213  488.785  157.673   96.393   8.1048   86.770   14.309 9.623032 16.44482 
1 1 1   30   14    1 o   66.938   11.039  268.560   82.016  232.450   93.950  384.228  168.148   58.852   12.924   75.024   17.899 -16.17191 22.07722 
1 1 1   30   14    2 o   41.473   11.379 -50.7373   82.630 -129.3597   93.585  227.326  175.997   23.236   11.127   59.710   19.853 -36.47403 22.75855 
1 1 1   30   14    3 o  146.551   6.1449  1307.52  106.684  1198.73  127.221  1565.28  195.826  136.976   7.3137  156.126   9.8768 -19.15071 12.28990 
1 1 1   30   14    4 f  214.843   5.9331  2920.00  152.233  2853.14  185.050  3060.01  267.765  211.376   6.8938  218.311   9.6583 -6.935196 11.86622 
1 1 1   30   14    5 o  236.982   9.4686  3606.49  284.957   0.0000   0.0000  3606.49  284.957  ?   ?   236.982   9.4686      ?      ? 
1 1 1   30   14    6 o  179.836   5.4664  2006.03  100.087  1964.72  111.479  2177.71  227.268  175.617   4.9986  184.056   9.7232 -8.439377 10.93284 
1 1 1   30   14    7 o  229.962   4.3710  3344.49  106.564  3319.55  120.845  3431.69  225.975  228.377   4.1668  231.547   7.6850 -3.169785 8.741935 
1 1 1   30   14    8 o   48.471   11.395  146.814   73.792  152.939   83.566  125.132  157.235   47.757   13.291   49.186   18.513 -1.428951 22.79003 
1 1 1   30   14    9 o  139.175   6.2426  1296.74   83.691  1326.72   92.729  1165.03  194.350  144.260   5.0616  134.091   11.413 10.16872 12.48526 
1 1 1   30   14   10 o   36.623   10.540   49.295   70.320   80.800   77.187 -104.4872  170.532   37.258   13.126   35.987   16.494 1.271233 21.07950 
1 1 1   30   14   11 o  155.980   5.3320  1597.85   80.452  1618.30   88.984  1506.31  188.288  159.344   4.3975  152.617   9.7150 6.726440 10.66390 
1 1 1   30   14   12 o  213.503   4.5769  2848.02   95.314  2807.52  104.938  3038.94  227.842  209.907   3.9366  217.099   8.2642 -7.191422 9.153881 
1 1 1   30   14   13 o  251.882   4.3347  4111.51  118.407  4152.35  136.242  3985.42  239.377  255.126   4.2051  248.639   7.5812 6.486984 8.669320 
1 1 1   30   14   14 o  153.894   4.3775  1512.94   85.551  1512.94   85.551   0.0000   0.0000  153.894   4.3775  ?   ?       ?      ? 
1 1 1   30   16    0 o  257.848   4.6715  4248.69  135.596  4248.02  158.607  4250.50  261.383  258.200   4.8371  257.495   7.9934 0.7052917 9.343033 
1 1 1   30   16    1 o  326.025   4.5561  6720.29  164.196  6646.99  189.654  6939.67  328.102  323.016   4.6234  329.033   7.8522 -6.017517 9.112222 
1 1 1   30   16    2 o   35.762   10.958  -2.0620   88.129   34.363  103.871 -95.6579  166.505   35.573   14.527   35.950   16.410 -0.3772545 21.91588 
1 1 1   30   16    3 o  181.809   5.2293  2160.40  105.605  2208.17  123.355  2029.32  204.343  186.061   5.2207  177.558   9.0624 8.503067 10.45858 
1 1 1   30   16    4 o  157.014   5.5539  1554.76   97.530  1524.64  113.160  1641.75  192.320  154.501   5.7675  159.528   9.4931 -5.026672 11.10781 
1 1 1   30   16    5 o   49.497   12.093  136.407   83.956  112.690   97.874  202.468  163.345   42.934   14.801   56.060   19.127 -13.12579 24.18516 
1 1 1   30   16    6 o   85.165   9.7771  526.823   84.588  565.578   97.656  410.388  169.270   93.741   8.2034   76.589   17.750 17.15156 19.55422 
1 1 1   30   16    7 o   98.117   8.2809  610.521   85.304  595.659   96.112  665.674  185.149   96.192   7.8680  100.041   14.574 -3.849312 16.56178 
1 1 1   30   16    8 o  129.161   6.9833  1153.47   97.721  1229.50  114.347  947.550  188.184  138.424   6.5048  119.898   12.359 18.52619 13.96650 
1 1 1   30   16    9 o  137.146   6.3899  1208.04  111.290  1208.04  111.290   0.0000   0.0000  137.146   6.3899  ?   ?       ?      ? 
1 1 1   30   16   10 o   55.808   12.784  215.689   88.660  215.689   88.660   0.0000   0.0000   55.808   12.784  ?   ?       ?      ? 
1 1 1   30   16   11 o  173.984   4.9312  1939.44  108.954  1939.44  108.954   0.0000   0.0000  173.984   4.9312  ?   ?       ?      ? 
1 1 1   30   18    0 o  149.363   6.6205  1471.31  106.999  1489.70  123.197  1414.83  215.877  152.280   6.3706  146.446   11.608 5.833817 13.24106 
1 1 1   30   18    1 o   79.631   11.540  519.123   99.298  596.018  114.767  290.148  198.044   95.611   9.4521   63.650   21.055 31.96141 23.07945 
1 1 1   30   18    2 o   67.490   13.572  311.783  116.496  262.482  142.053  413.044  203.582   60.547   17.492   74.433   20.756 -13.88556 27.14407 
1 1 1   30   18    3 o  102.479   10.791  692.734  140.433  692.734  140.433   0.0000   0.0000  102.479   10.791  ?   ?       ?      ? 
1 1 1   30   18    4 o  177.453   6.6582  2031.14  150.043  2031.14  150.043   0.0000   0.0000  177.453   6.6582  ?   ?       ?      ? 
1 1 1   30   18    5 o  160.416   6.5666  1661.15  133.772  1661.15  133.772   0.0000   0.0000  160.416   6.5666  ?   ?       ?      ? 
1 1 1   30   18    7 o  252.230   5.4853  4094.47  175.700  4094.47  175.700   0.0000   0.0000  252.230   5.4853  ?   ?       ?      ? 
1 1 1   30   18    8 o   92.727   9.9450  572.901  117.109  572.901  117.109   0.0000   0.0000   92.727   9.9450  ?   ?       ?      ? 
1 1 1   30   20    0 o   89.257   13.380  561.011  151.665  561.011  151.665   0.0000   0.0000   89.257   13.380  ?   ?       ?      ? 
1 1 1   30   20    2 o   86.238   13.929  531.844  152.549  531.844  152.549   0.0000   0.0000   86.238   13.929  ?   ?       ?      ? 
1 1 1   30   20    3 o   95.803   11.895  638.895  144.721  638.895  144.721   0.0000   0.0000   95.803   11.895  ?   ?       ?      ? 
1 1 1   30   20    4 o   60.109   16.865  286.303  133.971  286.303  133.971   0.0000   0.0000   60.109   16.865  ?   ?       ?      ? 
1 1 1   30   20    5 o   34.372   15.035   16.529  124.736   16.529  124.736   0.0000   0.0000   34.372   15.035  ?   ?       ?      ? 
1 1 1   31    1    0 o  875.553   7.0187 48726.61  780.334 49164.61  1112.68 48302.68  1094.66  879.421   9.9631  871.685   9.8887 7.735413 14.03749 
1 1 1   31    1    1 o  1547.93   12.080 152682.50  2374.35 151439.09  3329.70 153968.91  3386.70  1541.54   17.009  1554.31   17.158 -12.77295 24.15958 
1 1 1   31    1    2 o  655.262   5.4397 27284.46  452.646 27477.16  643.010 27095.16  637.305  657.555   7.7003  652.969   7.6856 4.585876 10.87949 
1 1 1   31    1    3 o  1518.93   11.866 147149.50  2288.52 148407.59  3265.35 145934.91  3208.33  1525.28   16.858  1512.58   16.703 12.69580 23.73111 
1 1 1   31    1    4 o  326.259   3.4608  6762.00  143.379  6863.20  203.219  6661.69  202.320  328.690   4.8686  323.827   4.9198 4.863098 6.921513 
1 1 1   31    1    5 o  742.309   6.0379 35030.75  568.919 35770.68  819.659 34342.90  790.290  749.857   8.6075  734.761   8.4696 15.09540 12.07572 
1 1 1   31    1    6 o  411.899   3.8402 10780.06  200.838 10623.33  280.841 10944.10  287.325  408.837   5.4092  414.961   5.4524 -6.123444 7.680363 
1 1 1   31    1    7 o  389.068   4.5521  9536.78  210.989  9888.47  372.252  9370.32  256.098  394.195   7.4361  383.941   5.2525 10.25476 9.104106 
1 1 1   31    1    8 o   79.234   5.9563  399.013   59.611  459.391   86.565  344.559   82.208   84.934   8.0257   73.535   8.8033 11.39919 11.91255 
1 1 1   31    1    9 o  344.471   3.4966  7540.53  152.926  7698.15  218.995  7390.52  213.645  347.982   4.9556  340.960   4.9341 7.022003 6.993147 
1 1 1   31    1   10 o  161.621   3.6656  1661.08   75.212  1715.84  106.707  1607.02  106.027  164.271   5.1151  158.970   5.2520 5.300858 7.331262 
1 1 1   31    1   11 o  680.209   5.6006 29486.38  483.788 29558.27  685.559 29415.06  682.809  681.033   7.9268  679.385   7.9142 1.647827 11.20128 
1 1 1   31    1   12 o  385.435   3.7100  9449.85  181.590  9377.46  256.669  9522.40  256.945  383.955   5.2640  386.915   5.2293 -2.960358 7.419950 
1 1 1   31    1   13 o  232.601   3.2922  3440.36   97.236  3510.67  138.163  3371.37  136.871  234.957   4.6305  230.245   4.6811 4.712402 6.584344 
1 1 1   31    1   14 o  350.955   3.5520  7820.79  158.125  7516.29  217.287  8163.57  230.545  343.715   4.9780  358.196   5.0683 -14.48132 7.104088 
1 1 1   31    1   15 o  370.896   3.6672  8753.65  172.693  8878.96  247.217  8634.23  241.338  373.483   5.2123  368.309   5.1598 5.174011 7.334314 
1 1 1   31    1   16 o  329.168   3.5220  6889.47  147.120  6690.09  203.403  7108.20  213.049  324.186   4.9407  334.149   5.0207 -9.962982 7.043958 
1 1 1   31    1   17 o  402.743   3.9711 10335.26  203.090 10423.27  289.201 10249.63  285.266  404.430   5.6309  401.055   5.6010 3.375244 7.942206 
1 1 1   31    1   18 o  363.439   3.9648  8420.41  182.966  8220.92  257.654  8623.33  259.866  359.086   5.6502  367.792   5.5638 -8.706482 7.929689 
1 1 1   31    1   19 o  177.958   4.0338  2020.75   91.118  1950.61  128.919  2090.77  128.802  174.856   5.8058  181.059   5.6018 -6.202560 8.067641 
1 1 1   31    1   20 o  197.265   3.8936  2483.14   97.536  2457.57  137.251  2509.22  138.635  196.239   5.5075  198.291   5.5054 -2.051468 7.787285 
1 1 1   31    1   21 o  125.486   5.3306  1009.61   84.835  976.605  116.404  1047.00  123.897  123.323   7.4327  127.649   7.6430 -4.326538 10.66114 
1 1 1   31    1   22 o  177.854   4.1845  2031.47   94.282  2170.81  132.428  1888.26  134.260  184.121   5.6637  171.588   6.1614 12.53242 8.369053 
1 1 1   31    1   23 o   46.924   11.296  144.587   80.646  124.829  110.340  167.247  118.163   44.384   15.687   49.463   16.259 -5.079651 22.59283 
1 1 1   31    1   24 o  284.664   4.1434  5215.93  149.632  5407.51  217.719  5044.43  205.990  289.565   5.9207  279.763   5.7980 9.801605 8.286810 
1 1 1   31    1   25 o  130.764   5.3911  1131.38   88.696  1261.07  122.966  990.713  128.061  138.992   6.9665  122.536   8.2295 16.45586 10.78225 
1 1 1   31    1   26 o   91.679   7.4351  573.360   84.307  419.629  114.413  755.995  124.706   77.540   11.619  105.819   9.2799 -28.27949 14.87014 
1 1 1   31    3    0 o  1217.26   9.5672 94282.59  1478.38 92839.42  2057.62 95822.62  2125.54  1207.66   13.417  1226.85   13.643 -19.19678 19.13447 
1 1 1   31    3    1 o  1452.13   11.356 134397.09  2093.85 135917.30  2994.15 132942.09  2929.21  1460.13   16.147  1444.13   15.972 16.00684 22.71242 
1 1 1   31    3    2 o  561.643   4.8329 20043.77  344.667 19901.78  483.373 20190.64  491.597  559.621   6.8016  563.664   6.8677 -4.042114 9.665766 
1 1 1   31    3    3 o  820.295   8.1194 42661.18  793.215 43374.28  1393.56 42319.41  964.749  824.954   13.302  815.637   9.3141 9.316162 16.23871 
1 1 1   31    3    4 o  385.163   3.7547  9428.78  183.571  9505.85  256.464  9347.80  262.871  386.782   5.2213  383.544   5.3970 3.238037 7.509303 
1 1 1   31    3    5 o  537.880   4.6216 18377.89  315.464 17950.20  436.323 18846.33  456.636  531.337   6.4664  544.423   6.6047 -13.08575 9.243186 
1 1 1   31    3    6 o  195.507   3.4524  2411.62   85.403  2185.91  115.352  2685.45  127.051  185.456   4.8979  205.558   4.8670 -20.10255 6.904860 
1 1 1   31    3    7 o  530.260   4.5747 17868.90  307.809 17460.70  425.195 18318.39  446.178  523.916   6.3907  536.605   6.5475 -12.68909 9.149381 
1 1 1   31    3    8 o  329.581   3.4520  6905.05  144.377  6903.83  200.435  6906.37  208.145  329.558   4.7892  329.604   4.9727 -0.4626465E-01 6.903946 
1 1 1   31    3    9 o  450.933   4.9604 13029.40  270.877 12657.86  454.691 13233.80  337.257  445.738   8.0327  456.128   5.8223 -10.38980 9.920843 
1 1 1   31    3   10 o  180.844   3.5780  2077.92   82.131  1990.82  114.470  2170.31  117.907  176.940   5.0943  184.747   5.0255 -7.807693 7.155997 
1 1 1   31    3   11 o  141.154   3.8998  1262.53   69.764  1185.65   95.099  1352.11  102.656  136.520   5.4853  145.787   5.5448 -9.266296 7.799578 
1 1 1   31    3   12 o  139.303   4.0178  1234.02   71.017  1215.13   98.149  1254.77  102.885  138.190   5.5929  140.416   5.7698 -2.226044 8.035556 
1 1 1   31    3   13 o  328.353   3.4594  6857.22  144.235  6793.56  202.135  6923.26  205.874  326.803   4.8705  329.903   4.9140 -3.099548 6.918800 
1 1 1   31    3   14 o  364.997   3.6330  8474.23  168.352  8316.08  234.748  8641.72  241.568  361.496   5.1135  368.498   5.1621 -7.001984 7.266050 
1 1 1   31    3   15 o  183.726   3.6174  2149.54   84.368  2187.64  118.376  2110.21  120.276  185.389   5.0281  182.063   5.2021 3.326126 7.234875 
1 1 1   31    3   16 o  186.644   3.7149  2214.14   87.964  2106.08  121.306  2333.98  127.743  181.851   5.2528  191.438   5.2545 -9.586517 7.429769 
1 1 1   31    3   17 o  256.128   3.7792  4180.32  122.881  4142.63  175.632  4216.47  171.985  254.984   5.4239  257.272   5.2641 -2.288254 7.558374 
1 1 1   31    3   18 o  230.553   3.6478  3386.25  106.777  3282.90  149.894  3492.73  152.143  226.976   5.2003  234.131   5.1170 -7.154526 7.295644 
1 1 1   31    3   19 o  183.005   3.9554  2134.33   91.552  2113.61  123.754  2159.37  136.069  182.061   5.3526  183.949   5.8248 -1.888123 7.910704 
1 1 1   31    3   20 o  288.596   3.6104  5313.39  132.310  5336.98  186.398  5289.43  187.840  289.250   5.0745  287.942   5.1370 1.307953 7.220717 
1 1 1   31    3   21 o  479.876   4.3673 14733.03  266.014 15168.93  383.645 14329.40  369.173  486.686   6.2073  473.066   6.1451 13.61942 8.734595 
1 1 1   31    3   22 o  174.901   4.2231  1965.18   93.506  2001.79  128.005  1923.29  136.919  176.728   5.7035  173.073   6.2295 3.655167 8.446137 
1 1 1   31    3   23 f  136.942   5.2515  1211.62   91.158  1315.40  133.069  1119.85  125.131  142.477   7.3545  131.408   7.4983 11.06880 10.50306 
1 1 1   31    3   24 o   76.769   9.4857  411.483   90.445  409.220  130.872  413.552  125.137   75.796   14.116   77.741   12.675 -1.945160 18.97143 
1 1 1   31    3   25 o   48.674   12.402  135.707   93.942   71.277  112.402  284.974  171.085   37.922   15.246   59.427   19.565 -21.50497 24.80443 
1 1 1   31    3   26 o  201.511   6.0410  2724.33  154.357  2530.73  215.716  2927.47  220.965  193.897   8.7606  209.124   8.3203 -15.22731 12.08205 
1 1 1   31    5    0 o  257.199   3.7139  4185.29  120.580  4049.93  160.828  4359.06  182.220  252.477   5.0161  261.921   5.4783 -9.443512 7.427847 
1 1 1   31    5    1 o  420.294   4.0116 11228.53  214.041 11345.34  299.654 11106.84  305.840  422.532   5.5845  418.056   5.7608 4.475616 8.023284 
1 1 1   31    5    2 o  278.415   3.5449  4944.23  124.862  5283.61  173.542  4580.00  179.785  288.369   4.7389  268.461   5.2734 19.90765 7.089899 
1 1 1   31    5    3 o  747.353   6.1023 35543.71  578.982 35138.43  807.267 35973.02  830.852  742.984   8.5558  751.723   8.7034 -8.739441 12.20453 
1 1 1   31    5    4 o  697.020   5.7326 30922.31  507.325 30661.21  709.266 31195.85  725.956  694.021   8.0475  700.019   8.1663 -5.998413 11.46514 
1 1 1   31    5    5 o  240.658   3.5043  3698.25  106.556  3905.11  146.270  3464.32  155.544  247.878   4.6467  233.439   5.2469 14.43874 7.008648 
1 1 1   31    5    6 o  296.996   3.4874  5603.89  131.354  5546.51  180.690  5668.20  191.287  295.393   4.8168  298.600   5.0445 -3.207031 6.974851 
1 1 1   31    5    7 o  113.962   4.9850  804.758   71.154  690.657   91.959  974.982  112.321  104.168   6.9516  123.757   7.1468 -19.58948 9.970017 
1 1 1   31    5    8 o  335.935   3.5584  7171.14  151.531  7106.97  207.689  7244.19  221.580  334.341   4.8915  337.528   5.1694 -3.187012 7.116895 
1 1 1   31    5    9 o  305.160   3.4378  5912.90  132.983  5793.91  181.896  6049.53  194.909  301.877   4.7448  308.444   4.9760 -6.567139 6.875569 
1 1 1   31    5   10 o  461.093   4.1659 13530.56  243.892 13597.78  342.161 13461.12  347.738  462.268   5.8285  459.918   5.9538 2.350281 8.331831 
1 1 1   31    5   11 o  249.634   3.9869  3991.12  122.725  3855.91  197.141  4076.68  156.818  246.091   6.3082  253.177   4.8775 -7.085983 7.973860 
1 1 1   31    5   12 o  315.955   3.4662  6353.56  138.998  6480.02  194.559  6221.72  198.650  319.180   4.8000  312.730   5.0020 6.449432 6.932499 
1 1 1   31    5   13 o  271.112   3.4155  4682.64  117.429  4906.49  164.782  4451.65  167.388  277.722   4.6722  264.503   4.9833 13.21942 6.831011 
1 1 1   31    5   14 o   54.135   9.3964  204.518   64.921  248.889   84.407  140.249  101.586   61.303   11.257   46.968   15.048 14.33512 18.79287 
1 1 1   31    5   15 o  365.863   3.7099  8513.36  172.189  8296.82  237.107  8755.00  250.464  360.962   5.1726  370.764   5.3195 -9.802277 7.419736 
1 1 1   31    5   16 o  407.544   3.9765 10579.95  205.747 10904.24  294.469 10270.63  287.594  413.647   5.6057  401.440   5.6413 12.20691 7.952901 
1 1 1   31    5   17 o  247.684   3.6428  3908.34  114.574  3863.80  160.982  3954.07  163.104  246.255   5.1477  249.114   5.1557 -2.858597 7.285626 
1 1 1   31    5   18 o  188.647   3.9017  2269.20   93.455  2208.88  131.320  2331.10  133.026  186.102   5.5565  191.193   5.4788 -5.091003 7.803367 
1 1 1   31    5   19 o  208.195   3.7966  2766.93  100.253  2792.51  138.733  2738.97  145.036  209.230   5.2213  207.160   5.5131 2.069962 7.593126 
1 1 1   31    5   20 o  305.457   3.6439  5933.73  141.026  5621.17  191.694  6302.47  208.210  296.744   5.0869  314.169   5.2187 -17.42496 7.287699 
1 1 1   31    5   21 o  124.106   5.2212  991.924   82.149  989.507  112.887  994.645  119.772  123.996   7.1690  124.217   7.5927 -0.2203064 10.44237 
1 1 1   31    5   22 o  235.470   5.5070  3557.32  164.675   0.0000   0.0000  3557.32  164.675  ?   ?   235.470   5.5070      ?      ? 
1 1 1   31    5   23 o  258.913   5.6387  4316.08  185.399   0.0000   0.0000  4316.08  185.399  ?   ?   258.913   5.6387      ?      ? 
1 1 1   31    5   24 o  100.384   9.3663  701.005  118.474  818.466  171.991  594.945  163.431  108.902   12.436   91.867   14.009 17.03560 18.73251 
1 1 1   31    5   25 o  122.516   8.5138  1064.14  130.241  920.976  191.868  1186.48  177.363  113.502   13.311  131.530   10.618 -18.02784 17.02762 
1 1 1   31    7    0 f  535.000   4.7410 18214.62  321.929 18414.20  449.352 18004.15  461.441  538.031   6.5766  531.968   6.8305 6.062378 9.481961 
1 1 1   31    7    1 o  328.410   3.8006  6823.71  157.193  6611.75  207.880  7106.74  240.217  322.506   5.0757  334.315   5.6581 -11.80841 7.601125 
1 1 1   31    7    2 o  394.789   3.9871  9891.77  198.666  9744.48  265.692 10078.54  299.196  391.491   5.3441  398.086   5.9184 -6.595062 7.974133 
1 1 1   31    7    3 o  382.879   3.9062  9332.84  189.420  9485.40  259.785  9159.66  276.784  386.247   5.2963  379.512   5.7430 6.734558 7.812330 
1 1 1   31    7    4 o  485.944   4.3883 14997.53  270.253 14652.02  368.805 15398.20  397.158  479.933   6.0512  491.955   6.3571 -12.02280 8.776641 
1 1 1   31    7    5 o  120.373   5.1893  933.194   75.827  960.331   95.028  885.632  125.806  122.862   6.0905  117.884   8.4037 4.977959 10.37863 
1 1 1   31    7    6 o  138.823   4.6142  1224.82   78.843  1219.52   99.786  1233.62  128.626  138.463   5.6749  139.183   7.2773 -0.7193146 9.228368 
1 1 1   31    7    7 o   83.432   8.7524  443.987   92.733  443.987   92.733   0.0000   0.0000   83.432   8.7524  ?   ?       ?      ? 
1 1 1   31    7    8 o   49.160   9.5045  139.829   65.623   55.726   85.146  262.872  102.989   35.492   13.560   62.828   13.321 -27.33555 19.00892 
1 1 1   31    7    9 o  309.346   3.5398  6090.22  138.713  6139.34  190.013  6034.18  202.966  310.702   4.8157  307.990   5.1893 2.711609 7.079539 
1 1 1   31    7   10 o  180.695   3.7581  2049.49   85.397  1889.01  111.721  2275.03  132.445  172.316   5.1054  189.074   5.5160 -16.75792 7.516129 
1 1 1   31    7   11 o  314.124   3.5687  6285.54  142.107  6416.40  196.428  6141.84  205.841  317.580   4.8705  310.667   5.2174 6.912933 7.137456 
1 1 1   31    7   12 o  357.655   3.6838  8142.39  167.099  8145.40  230.548  8139.07  242.534  357.747   5.0747  357.564   5.3412 0.1837158 7.367574 
1 1 1   31    7   13 o  183.360   4.4918  2159.95  103.780  1919.91  150.197  2379.24  143.563  173.480   6.8177  193.239   5.8502 -19.75931 8.983593 
1 1 1   31    7   14 o  295.671   3.5004  5575.85  131.157  5759.98  181.646  5375.28  189.575  300.811   4.7550  290.531   5.1382 10.27982 7.000812 
1 1 1   31    7   15 o  256.511   5.3291  4192.14  173.596  4192.14  173.596   0.0000   0.0000  256.511   5.3291  ?   ?       ?      ? 
1 1 1   31    7   16 o  160.465   4.3862  1679.51   87.101  1854.54  115.060  1444.57  133.302  170.583   5.3115  150.348   6.9817 20.23447 8.772437 
1 1 1   31    7   17 o   70.870   8.9911  343.214   76.800  399.927  102.280  269.904  116.287   78.758   10.226   62.981   14.791 15.77744 17.98230 
1 1 1   31    7   18 o  201.257   3.9224  2570.06   99.580  2459.43  132.223  2715.03  151.364  196.329   5.3033  206.185   5.7808 -9.855484 7.844887 
1 1 1   31    7   19 o  284.124   3.6918  5129.15  132.377  4935.14  176.248  5380.26  200.510  278.061   4.9912  290.187   5.4410 -12.12653 7.383555 
1 1 1   31    7   20 o  185.366   4.1866  2220.82   96.938  2318.81  127.843  2088.26  148.690  190.391   5.2875  180.340   6.4925 10.05110 8.373198 
1 1 1   31    7   21 o  117.822   12.757  930.704  190.873  930.704  190.873   0.0000   0.0000  117.822   12.757  ?   ?       ?      ? 
1 1 1   31    7   22 o  363.579   6.1950  8579.11  284.309  9588.17  431.927  7807.66  377.663  382.044   8.9027  345.115   8.6171 36.92838 12.39001 
1 1 1   31    7   23 o  170.432   6.3308  1923.07  136.523  1894.20  184.832  1957.72  202.522  169.307   8.5966  171.556   9.2959 -2.248596 12.66151 
1 1 1   31    7   24 o  195.958   6.0907  2555.61  151.006  2874.41  219.539  2269.34  208.034  207.845   8.3175  184.070   8.8997 23.77550 12.18137 
1 1 1   31    9    0 o  370.015   3.9955  8701.97  186.398  8656.06  248.822  8760.69  281.385  368.940   5.3107  371.089   5.9710 -2.148590 7.991020 
1 1 1   31    9    1 o  371.480   3.9941  8779.01  186.530  8786.72  246.982  8768.77  284.581  371.717   5.2321  371.244   6.0363 0.4725037 7.988207 
1 1 1   31    9    2 o  102.818   6.2887  665.881   81.306  618.355  106.392  732.607  126.063   98.482   8.5070  107.154   9.2641 -8.671997 12.57745 
1 1 1   31    9    3 f  259.074   3.7731  4293.83  122.485  4435.20  162.140  4105.93  186.934  264.109   4.8343  254.039   5.7944 10.06937 7.546206 
1 1 1   31    9    4 o  292.011   3.7001  5437.42  135.466  5513.88  178.619  5333.90  207.838  294.474   4.7764  289.547   5.6523 4.927734 7.400219 
1 1 1   31    9    5 o  323.294   3.7925  6626.50  153.808  6509.04  201.515  6790.43  238.057  319.917   4.9601  326.671   5.7384 -6.753601 7.585011 
1 1 1   31    9    6 o  370.969   3.9121  8713.86  182.445  8469.02  240.012  9048.98  280.795  364.875   5.1798  377.064   5.8640 -12.18915 7.824135 
1 1 1   31    9    7 f  132.417   5.3080  1166.02   84.078  1290.83  106.276  957.214  137.459  142.402   5.8769  122.432   8.8410 19.96933 10.61603 
1 1 1   31    9    8 o  259.426   3.7129  4285.21  120.648  4298.33  158.219  4266.99  186.491  259.947   4.7929  258.905   5.6721 1.042542 7.425896 
1 1 1   31    9    9 o  215.266   3.9357  2942.30  105.432  2911.41  135.816  2989.15  167.249  213.902   4.9999  216.629   6.0795 -2.726700 7.871429 
1 1 1   31    9   10 o  217.490   3.8982  2984.99  104.502  2903.43  131.857  3122.74  171.366  213.600   4.8610  221.380   6.0955 -7.780441 7.796407 
1 1 1   31    9   11 o  330.396   3.7643  6948.66  156.607  6929.70  208.254  6973.34  237.586  329.939   4.9703  330.853   5.6547 -0.9139709 7.528569 
1 1 1   31    9   12 o  134.098   5.0579  1127.61   85.277  1003.60  111.449  1302.75  132.451  125.381   6.9995  142.816   7.3030 -17.43518 10.11570 
1 1 1   31    9   13 o  309.248   5.4480  6093.81  213.956  6093.81  213.956   0.0000   0.0000  309.248   5.4480  ?   ?       ?      ? 
1 1 1   31    9   14 o  501.044   9.2393 16118.50  587.886 16118.50  587.886   0.0000   0.0000  501.044   9.2393  ?   ?       ?      ? 
1 1 1   31    9   15 o   96.770   7.9480  552.722   87.678  494.014  101.260  728.586  175.260   87.692   9.0929  105.848   13.038 -18.15589 15.89591 
1 1 1   31    9   16 o  154.919   5.0299  1572.20   91.960  1639.82  112.507  1436.08  159.621  160.306   5.5265  149.533   8.4058 10.77312 10.05980 
1 1 1   31    9   17 o   82.643   8.3112  459.081   77.881  473.257   94.311  428.688  138.090   85.714   8.6643   79.572   14.186 6.142105 16.62232 
1 1 1   31    9   18 o  194.364   4.1807  2391.42   98.475  2330.08  121.504  2508.82  168.107  190.998   5.0094  197.730   6.6947 -6.732727 8.361431 
1 1 1   31    9   19 o   66.470   9.2226  415.699   75.522  556.140   88.399   36.214  145.310   92.816   7.4997   40.123   16.852 52.69308 18.44516 
1 1 1   31    9   20 o  146.463   8.0690  1428.95  149.159  1427.71  200.359  1430.49  223.403  146.779   10.749  146.147   12.037 0.6318359 16.13790 
1 1 1   31    9   21 o   56.081   15.605  205.087  163.969  155.123  228.335  258.286  235.609   52.655   21.524   59.508   22.600 -6.853020 31.20946 
1 1 1   31    9   22 o   40.313   12.569   16.710  125.273   29.120  183.385   5.8527  171.534   41.445   18.177   39.181   17.364 2.263973 25.13776 
1 1 1   31   11    0 o  298.391   4.0319  5679.18  133.109  5692.43  154.285  5640.60  263.255  299.242   4.0600  297.540   6.9671 1.702057 8.063760 
1 1 1   31   11    1 o   67.658   9.2291  335.332   65.067  367.832   74.828  234.567  131.759   75.946   7.7586   59.371   16.748 16.57587 18.45822 
1 1 1   31   11    2 o  153.158   5.0131  1458.91   93.253  1378.12  114.652  1616.82  160.294  147.117   6.1368  159.199   7.9286 -12.08287 10.02615 
1 1 1   31   11    3 o  253.297   4.1175  4060.69  126.694  4003.95  157.149  4166.04  214.142  250.877   4.9325  255.716   6.5943 -4.838791 8.234936 
1 1 1   31   11    4 o   79.633   8.5357  397.479   82.956  320.782  106.481  515.913  132.319   69.616   12.504   89.650   11.622 -20.03380 17.07142 
1 1 1   31   11    5 o   42.296   11.093   82.580   78.783   50.030  101.719  131.378  124.547   37.017   14.628   47.576   16.679 -10.55845 22.18521 
1 1 1   31   11    6 o  226.900   4.1320  3310.48  115.988  3427.89  149.627  3133.70  183.602  232.075   5.0770  221.724   6.5206 10.35118 8.263994 
1 1 1   31   11    7 f  585.082   5.1667 21813.57  382.432 21451.58  516.813 22251.69  568.566  579.844   7.0185  590.321   7.5843 -10.47705 10.33348 
1 1 1   31   11    8 o  325.848   3.9711  6791.37  161.905  6931.71  212.793  6598.43  249.498  329.960   5.0783  321.737   6.1065 8.223022 7.942173 
1 1 1   31   11    9 o  115.539   6.3657  875.760   89.703  940.452  114.695  773.858  143.949  121.328   7.4440  109.749   10.328 11.57955 12.73138 
1 1 1   31   11   10 o  252.746   5.4573  4070.31  175.162  4070.31  175.162   0.0000   0.0000  252.746   5.4573  ?   ?       ?      ? 
1 1 1   31   11   12 o  181.964   4.6458  2128.29  100.774  2154.94  123.337  2074.76  174.788  183.876   5.2819  180.052   7.6443 3.824112 9.291571 
1 1 1   31   11   13 o  136.688   5.4663  1222.37   90.216  1287.21  113.204  1109.52  149.349  141.966   6.2791  131.410   8.9495 10.55603 10.93254 
1 1 1   31   11   14 o  275.116   4.0004  4754.45  134.003  4570.29  165.804  5101.29  227.546  267.748   4.8763  282.483   6.3430 -14.73544 8.000793 
1 1 1   31   11   15 o  129.693   6.3764  1074.03   91.773  1062.37  106.280  1108.20  181.963  128.815   6.4969  130.571   10.974 -1.756195 12.75283 
1 1 1   31   11   16 o   38.612   11.231   30.875   75.926   11.113   86.264   98.819  159.950   30.674   12.939   46.549   18.360 -15.87495 22.46099 
1 1 1   31   11   17 o   34.242   9.6380   58.466   52.301   81.356   54.569 -199.8186  183.305   35.218   10.998   33.266   15.831 1.951942 19.27601 
1 1 1   31   11   18 o   42.986   12.794   7.1468  130.371  152.999  175.685 -171.6018  194.491   50.779   19.460   35.193   16.616 15.58570 25.58886 
1 1 1   31   13    0 o  204.470   4.6146  2821.40  104.933  3017.60  124.321  2335.35  195.673  217.780   4.4952  191.159   8.0605 26.62123 9.229172 
1 1 1   31   13    1 o  333.661   4.2451  7050.51  156.684  7004.73  181.208  7186.16  311.901  331.827   4.3002  335.496   7.3207 -3.668915 8.490251 
1 1 1   31   13    2 o  303.377   4.1625  5937.43  140.490  6017.37  163.798  5714.96  273.249  307.559   4.1937  299.195   7.1916 8.363403 8.325069 
1 1 1   31   13    3 f  239.019   4.3989  3773.41  114.506  3907.56  132.888  3386.64  225.643  247.834   4.2223  230.205   7.7185 17.62891 8.797857 
1 1 1   31   13    4 o  107.477   7.2580  654.144   82.271  593.399   91.577  908.297  187.317   96.371   7.4828  118.583   12.439 -22.21172 14.51604 
1 1 1   31   13    5 o  230.971   4.8786  3239.30  130.467  3022.22  153.156  3813.49  249.090  217.782   5.5378  244.161   8.0335 -26.37877 9.757241 
1 1 1   31   13    6 o  244.627   5.2177  3702.58  145.620  3555.91  170.161  4103.96  281.481  236.190   5.6731  253.065   8.7587 -16.87460 10.43546 
1 1 1   31   13    7 o  125.355   9.6756  1390.60  104.638  1798.98  125.727  470.211  188.748  167.947   5.8949   82.762   18.431 85.18444 19.35120 
1 1 1   31   13    8 o  141.840   5.4770  1121.59   82.709  1002.81   92.232  1609.30  186.892  125.391   5.7921  158.290   9.2974 -32.89899 10.95399 
1 1 1   31   13    9 o  259.675   4.3098  4186.69  116.421  4102.46  130.659  4511.19  256.458  253.889   4.0525  265.460   7.6075 -11.57097 8.619502 
1 1 1   31   13   10 o  234.381   4.3625  3439.12  104.971  3391.68  117.427  3627.85  234.199  230.833   4.0058  237.930   7.7510 -7.097351 8.724972 
1 1 1   31   13   11 o  183.993   4.7367  2137.67   88.047  2119.30   98.095  2213.83  199.713  182.411   4.2347  185.576   8.4743 -3.165298 9.473477 
1 1 1   31   13   12 o  170.338   5.1232  1800.06   81.989  1771.15   89.352  1954.14  206.260  166.724   4.2202  173.952   9.3370 -7.228302 10.24641 
1 1 1   31   13   13 o  166.614   5.0747  1783.59   79.064  1783.72   86.410  1782.93  195.952  167.290   4.0674  165.937   9.2988 1.352631 10.14946 
1 1 1   31   13   14 o  151.466   5.3386  1544.26   76.951  1580.43   85.015  1380.26  181.020  157.380   4.2537  145.553   9.7933 11.82709 10.67720 
1 1 1   31   13   15 o  174.649   4.1439  1947.69   91.908  1947.69   91.908   0.0000   0.0000  174.649   4.1439  ?   ?       ?      ? 
1 1 1   31   15    0 o  159.516   5.4851  1564.95  102.110  1474.73  120.796  1790.80  191.120  152.001   6.2579  167.032   9.0101 -15.03120 10.97010 
1 1 1   31   15    1 o   62.919   11.778  261.891   89.649  251.397  106.773  286.965  165.045   60.935   14.081   64.902   18.885 -3.966732 23.55675 
1 1 1   31   15    2 o  211.094   4.9305  2798.69  127.231  2672.93  158.058  3030.18  214.437  204.645   6.0819  217.542   7.7621 -12.89651 9.861001 
1 1 1   31   15    3 o  158.576   5.6930  1660.69   99.345  1714.15  115.811  1511.74  193.296  163.940   5.5627  153.213   9.9346 10.72668 11.38594 
1 1 1   31   15    4 o  100.883   9.4906  781.541   91.175  876.427  105.092  492.755  183.339  117.046   7.0703   84.720   17.615 32.32577 18.98128 
1 1 1   31   15    5 o  314.737   4.4299  6434.93  154.519  6550.82  180.037  6110.82  301.079  320.699   4.4207  308.776   7.6782 11.92380 8.859856 
1 1 1   31   15    6 f  279.424   4.2918  4854.09  130.349  4733.11  148.833  5252.42  270.067  272.591   4.2994  286.258   7.4291 -13.66690 8.583504 
1 1 1   31   15    7 f  223.417   4.4323  3091.99  108.807  2996.57  124.728  3395.83  222.573  216.823   4.5298  230.011   7.6198 -13.18820 8.864600 
1 1 1   31   15    8 o  222.831   4.6684  3238.48  107.802  3282.38  121.857  3080.44  231.213  226.949   4.2281  218.714   8.3245 8.235107 9.336704 
1 1 1   31   15    9 o  288.389   4.4888  5339.75  149.976  5354.22  178.874  5305.49  275.195  289.596   4.8638  287.182   7.5458 2.414795 8.977523 
1 1 1   31   15   10 o   67.663   10.806  299.623   92.855  299.623   92.855   0.0000   0.0000   67.663   10.806  ?   ?       ?      ? 
1 1 1   31   15   11 o   39.071   13.574   94.485   82.402   94.485   82.402   0.0000   0.0000   39.071   13.574  ?   ?       ?      ? 
1 1 1   31   15   12 o  100.112   7.3177  648.496   93.033  648.496   93.033   0.0000   0.0000  100.112   7.3177  ?   ?       ?      ? 
1 1 1   31   17    0 o   88.294   10.274  513.422   99.732  498.472  116.530  554.358  192.825   87.528   10.484   89.059   17.673 -1.530472 20.54858 
1 1 1   31   17    1 f  227.862   4.9255  3330.31  125.642  3326.12  146.501  3341.96  244.302  228.194   5.0554  227.529   8.4550 0.6652222 9.851079 
1 1 1   31   17    2 o  163.379   6.0566  1796.83  107.670  1872.72  125.271  1582.26  210.645  171.043   5.7672  155.715   10.652 15.32822 12.11329 
1 1 1   31   17    3 o  107.072   7.9956  758.700   96.004  766.910  112.562  736.788  183.888  108.972   8.1340  105.173   13.768 3.799026 15.99125 
1 1 1   31   17    4 o   57.112   12.970  207.205  105.086  147.386  131.809  311.554  174.089   48.433   17.143   65.790   19.468 -17.35719 25.93976 
1 1 1   31   17    5 o  272.404   5.4120  4753.17  187.218  4753.17  187.218   0.0000   0.0000  272.404   5.4120  ?   ?       ?      ? 
1 1 1   31   17    6 o  172.106   6.1215  1904.02  133.792  1904.02  133.792   0.0000   0.0000  172.106   6.1215  ?   ?       ?      ? 
1 1 1   31   17    7 o   62.776   14.204  277.845  110.593  277.845  110.593   0.0000   0.0000   62.776   14.204  ?   ?       ?      ? 
1 1 1   31   17    8 o   21.021   10.413 -228.8098  104.184 -228.8098  104.184   0.0000   0.0000   21.021   10.413  ?   ?       ?      ? 
1 1 1   31   17    9 o  252.423   5.1053  4092.94  163.655  4092.94  163.655   0.0000   0.0000  252.423   5.1053  ?   ?       ?      ? 
1 1 1   31   19    0 o  127.993   9.4245  1083.77  153.186  1083.77  153.186   0.0000   0.0000  127.993   9.4245  ?   ?       ?      ? 
1 1 1   31   19    1 o   42.519   17.621   73.184  155.815   73.184  155.815   0.0000   0.0000   42.519   17.621  ?   ?       ?      ? 
1 1 1   31   19    2 o   23.737   11.795 -304.4398  137.699 -304.4398  137.699   0.0000   0.0000   23.737   11.795  ?   ?       ?      ? 
1 1 1   31   19    3 o   82.377   13.340  471.897  139.557  471.897  139.557   0.0000   0.0000   82.377   13.340  ?   ?       ?      ? 
1 1 1   31   19    4 o   36.721   15.769   27.580  132.168   27.580  132.168   0.0000   0.0000   36.721   15.769  ?   ?       ?      ? 
1 1 1   31   19    5 o  150.838   7.8798  1499.06  150.939  1499.06  150.939   0.0000   0.0000  150.838   7.8798  ?   ?       ?      ? 
1 1 1   31   19    6 o   76.541   13.816  426.458  129.350  426.458  129.350   0.0000   0.0000   76.541   13.816  ?   ?       ?      ? 
1 1 1   32    0    0 o  988.841   7.8560 62168.46  1394.74 62168.46  1394.74 62168.46  1394.74  988.841   11.110  988.841   11.110 -0.000000 0.000000 
1 1 1   32    0    2 o  963.321   7.6667 59013.39  1326.01 59013.39  1326.01 59013.39  1326.01  963.321   10.842  963.321   10.842 -0.000000 0.000000 
1 1 1   32    0    3 o  440.132   4.0515 12311.31  320.130 12311.31  320.130 12311.31  320.130  440.132   5.7297  440.132   5.7297 -0.000000 0.000000 
1 1 1   32    0    4 o  524.552   4.5357 17489.38  427.147 17489.38  427.147 17489.38  427.147  524.552   6.4144  524.552   6.4144 -0.000000 0.000000 
1 1 1   32    0    5 o  177.891   3.7168  2015.57  118.509  2015.57  118.509  2015.57  118.509  177.891   5.2563  177.891   5.2563 -0.000000 0.000000 
1 1 1   32    0    6 o  355.396   5.1300  8038.71  327.128  8038.71  327.128  8038.71  327.128  355.396   7.2550  355.396   7.2550 -0.000000 0.000000 
1 1 1   32    0    7 o   48.554   11.094  190.650   85.476  190.650   85.476  190.650   85.476   48.554   15.689   48.554   15.689 -0.000000 0.000000 
1 1 1   32    0    8 o  393.559   3.7264  9846.87  263.281  9846.87  263.281  9846.87  263.281  393.559   5.2700  393.559   5.2700 -0.000000 0.000000 
1 1 1   32    0    9 o  380.376   3.7001  9198.90  252.656  9198.90  252.656  9198.90  252.656  380.376   5.2327  380.376   5.2327 -0.000000 0.000000 
1 1 1   32    0   10 o   57.022   9.5127  238.634   84.607  238.634   84.607  238.634   84.607   57.022   13.453   57.022   13.453 -0.000000 0.000000 
1 1 1   32    0   11 o  152.355   3.7078  1480.39  101.181  1480.39  101.181  1480.39  101.181  152.355   5.2436  152.355   5.2436 -0.000000 0.000000 
1 1 1   32    0   12 o  155.956   3.7016  1551.05  103.414  1551.05  103.414  1551.05  103.414  155.956   5.2349  155.956   5.2349 -0.000000 0.000000 
1 1 1   32    0   13 o  138.340   4.1350  1223.29  102.317  1223.29  102.317  1223.29  102.317  138.340   5.8478  138.340   5.8478 -0.000000 0.000000 
1 1 1   32    0   14 o  208.033   3.4119  2755.22  127.320  2755.22  127.320  2755.22  127.320  208.033   4.8252  208.033   4.8252 -0.000000 0.000000 
1 1 1   32    0   15 o   36.033   12.072  122.386   88.697  122.386   88.697  122.386   88.697   36.033   17.072   36.033   17.072 -0.000000 0.000000 
1 1 1   32    0   16 o  344.937   3.7019  7571.52  229.208  7571.52  229.208  7571.52  229.208  344.937   5.2352  344.937   5.2352 -0.000000 0.000000 
1 1 1   32    0   18 o  274.264   3.6253  4789.68  178.430  4789.68  178.430  4789.68  178.430  274.264   5.1270  274.264   5.1270 -0.000000 0.000000 
1 1 1   32    0   19 o   31.679   12.622   87.766  109.452   87.766  109.452   87.766  109.452   31.679   17.851   31.679   17.851 -0.000000 0.000000 
1 1 1   32    0   20 o   85.070   7.7341  486.525  112.800  486.525  112.800  486.525  112.800   85.070   10.938   85.070   10.938 -0.000000 0.000000 
1 1 1   32    0   21 o  161.340   4.3866  1667.59  126.679  1667.59  126.679  1667.59  126.679  161.340   6.2036  161.340   6.2036 -0.000000 0.000000 
1 1 1   32    0   22 o  277.136   3.6472  4901.58  181.386  4901.58  181.386  4901.58  181.386  277.136   5.1579  277.136   5.1579 -0.000000 0.000000 
1 1 1   32    0   23 o  311.972   3.8605  6222.31  216.150  6222.31  216.150  6222.31  216.150  311.972   5.4596  311.972   5.4596 -0.000000 0.000000 
1 1 1   32    0   24 o   29.444   12.511   68.672  119.303   68.672  119.303   68.672  119.303   29.444   17.693   29.444   17.693 -0.000000 0.000000 
1 1 1   32    0   25 o   21.566   10.275 -35.2025  114.588 -35.2025  114.588 -35.2025  114.588   21.566   14.530   21.566   14.530 -0.000000 0.000000 
1 1 1   32    0   26 o   97.200   10.633  689.220  172.385  689.220  172.385  689.220  172.385   97.200   15.037   97.200   15.037 -0.000000 0.000000 
1 1 1   32    2    0 o  1180.71   9.3015 88742.91  1394.20 87396.27  1941.18 90177.68  2003.70  1171.49   13.048  1189.93   13.260 -18.43884 18.60307 
1 1 1   32    2    1 o  238.622   3.6273  3615.53  109.882  3549.74  153.051  3685.51  157.854  236.383   5.0985  240.860   5.1607 -4.476685 7.254508 
1 1 1   32    2    2 o  1062.50   8.4133 71907.25  1135.17 72247.14  1611.81 71572.73  1599.02  1064.98   11.918  1060.01   11.879 4.971191 16.82657 
1 1 1   32    2    3 o  206.618   3.6436  2712.21   95.559  2600.52  134.194  2827.11  136.108  202.301   5.2235  210.934   5.0811 -8.633682 7.287127 
1 1 1   32    2    4 o  603.398   5.0719 23152.27  388.604 23446.52  554.324 22867.91  544.933  607.166   7.1892  599.631   7.1562 7.534058 10.14372 
1 1 1   32    2    5 o  519.378   4.4929 17146.64  296.268 17529.79  424.730 16783.54  413.470  525.025   6.3702  513.732   6.3377 11.29285 8.985882 
1 1 1   32    2    6 o  301.999   3.4099  5797.31  130.690  5807.03  181.653  5786.88  188.167  302.267   4.7323  301.730   4.9107 0.5363464 6.819838 
1 1 1   32    2    7 o  444.227   4.0354 12546.50  227.624 12789.16  324.697 12312.00  319.191  448.450   5.7015  440.004   5.7124 8.446564 8.070802 
1 1 1   32    2    8 o  398.936   3.8218 10118.56  193.559 10051.09  269.992 10189.91  277.636  397.574   5.3475  400.298   5.4615 -2.723541 7.643599 
1 1 1   32    2    9 o  390.961   3.7459  9716.38  185.924  9571.23  259.051  9870.58  267.002  387.956   5.2581  393.967   5.3368 -6.011139 7.491883 
1 1 1   32    2   10 o  255.379   3.2278  4141.70  104.622  3989.27  145.194  4306.32  150.886  250.497   4.5642  260.261   4.5652 -9.763748 6.455509 
1 1 1   32    2   11 o   93.028   5.3236  550.671   62.760  538.807   85.633  564.438   92.246   91.956   7.3330   94.100   7.7194 -2.143967 10.64717 
1 1 1   32    2   12 o  470.285   4.1904 14078.68  250.260 14064.70  353.227 14092.76  354.619  470.052   5.9174  470.518   5.9348 -0.4653320 8.380788 
1 1 1   32    2   13 o   74.127   6.7631  349.759   62.611  269.471   85.168  444.173   92.358   64.869   10.339   83.385   8.7219 -18.51595 13.52625 
1 1 1   32    2   14 o  315.580   3.4775  6335.70  139.322  6269.59  194.289  6405.68  199.893  313.892   4.8741  317.268   4.9613 -3.376099 6.954901 
1 1 1   32    2   15 o   91.327   6.4239  544.714   72.654  669.363  101.509  413.788  104.033  102.354   7.8095   80.300   10.202 22.05443 12.84777 
1 1 1   32    2   16 o  186.887   4.1151  2225.15   97.562  2248.00  141.579  2204.49  134.630  187.786   5.9369  185.989   5.7001 1.797485 8.230267 
1 1 1   32    2   17 o  280.771   3.8651  5023.59  137.603  5038.04  200.327  5010.68  189.338  281.125   5.6113  280.417   5.3169 0.7079773 7.730185 
1 1 1   32    2   18 o  325.235   3.6520  6739.10  150.807  6638.83  210.783  6844.25  215.853  322.763   5.1425  327.708   5.1867 -4.945313 7.303938 
1 1 1   32    2   19 o  239.787   3.5851  3665.41  109.162  3726.64  155.221  3605.50  153.549  241.771   5.0556  237.804   5.0845 3.967514 7.170153 
1 1 1   32    2   20 o  149.136   4.5919  1423.00   86.942  1382.63  121.390  1465.53  124.582  146.963   6.5042  151.309   6.4835 -4.345795 9.183751 
1 1 1   32    2   21 o  223.926   3.7779  3207.93  107.368  3284.30  150.531  3128.84  153.186  226.673   5.2294  221.179   5.4538 5.494064 7.555787 
1 1 1   32    2   22 o  185.182   3.9886  2196.78   93.666  2151.29  128.551  2248.26  136.758  183.178   5.5262  187.186   5.7531 -4.007339 7.977261 
1 1 1   32    2   23 o  133.435   8.1622  1161.92  138.310   0.0000   0.0000  1161.92  138.310  ?   ?   133.435   8.1622      ?      ? 
1 1 1   32    2   24 o  150.365   4.7637  1470.09   90.906  1403.59  127.964  1537.84  129.167  146.866   6.8610  153.863   6.6105 -6.996887 9.527459 
1 1 1   32    2   25 o  148.668   4.8938  1439.26   92.028  1278.94  125.076  1628.51  135.889  139.608   7.0548  157.729   6.7842 -18.12039 9.787528 
1 1 1   32    4    0 o  447.293   4.1437 12715.64  235.351 12924.53  332.903 12506.91  332.771  450.969   5.8129  443.617   5.9069 7.351898 8.287424 
1 1 1   32    4    1 o  240.280   4.2382  3724.08  122.522  3848.29  152.174  3495.16  206.587  246.102   4.8691  234.458   6.9384 11.64384 8.476411 
1 1 1   32    4    2 o  542.882   4.7000 18739.26  323.973 18697.93  453.701 18782.25  462.767  542.278   6.5882  543.486   6.7050 -1.207825 9.400076 
1 1 1   32    4    3 o  361.516   3.7126  8292.67  170.044  8110.69  231.614  8505.45  250.447  357.230   5.1055  365.801   5.3913 -8.570374 7.425107 
1 1 1   32    4    4 o   95.934   6.1032  585.622   74.251  576.109  101.999  596.346  108.299   95.113   8.4446   96.756   8.8139 -1.643417 12.20639 
1 1 1   32    4    5 o  261.511   4.7335  4346.79  157.198  4346.79  157.198   0.0000   0.0000  261.511   4.7335  ?   ?       ?      ? 
1 1 1   32    4    6 o   95.802   5.7839  580.872   70.139  533.577   94.813  638.040  104.239   91.523   8.1575  100.080   8.2017 -8.557213 11.56774 
1 1 1   32    4    7 o  211.813   3.4658  2860.35   92.938  2992.52  128.487  2715.33  134.593  216.972   4.6631  206.654   5.1286 10.31732 6.931632 
1 1 1   32    4    8 o  160.536   3.9506  1650.72   79.849  1749.74  108.194  1532.28  118.333  165.882   5.1360  155.191   6.0043 10.69070 7.901272 
1 1 1   32    4    9 o  379.904   3.7126  9183.07  179.037  9375.12  251.395  8985.42  255.036  383.947   5.1560  375.860   5.3432 8.086395 7.425172 
1 1 1   32    4   10 o  413.131   3.8800 10859.45  203.530 10919.93  285.842 10797.25  289.871  414.306   5.4328  411.956   5.5408 2.349670 7.759945 
1 1 1   32    4   11 o  253.084   3.3314  4054.71  106.715  3857.05  143.974  4295.70  158.975  246.280   4.6034  259.889   4.8169 -13.60909 6.662829 
1 1 1   32    4   12 o  160.026   3.8120  1639.11   76.999  1751.20  105.737  1512.57  112.349  165.908   5.0186  154.144   5.7394 11.76453 7.624072 
1 1 1   32    4   13 o  330.519   3.5143  6951.99  147.443  6969.74  205.620  6933.21  211.539  330.964   4.8922  330.073   5.0466 0.8905945 7.028679 
1 1 1   32    4   14 o  187.361   3.7546  2233.57   89.167  2209.81  122.113  2260.70  130.506  186.309   5.1612  188.413   5.4544 -2.104034 7.509195 
1 1 1   32    4   15 o   42.471   10.436  105.883   68.986  115.290   97.428   96.424   97.695   43.575   14.773   41.367   14.746 2.207809 20.87273 
1 1 1   32    4   17 o  133.569   5.2986  1141.13   89.399  1140.28  120.385  1142.18  133.486  133.564   7.0975  133.574   7.8693 -0.9445190E-02 10.59721 
1 1 1   32    4   18 f  178.604   4.1091  2034.21   92.958  2016.58  126.726  2054.75  136.773  177.796   5.6126  179.411   6.0031 -1.614777 8.218170 
1 1 1   32    4   19 o  170.961   4.2016  1870.85   91.028  1936.21  126.164  1799.89  131.464  174.122   5.7056  167.800   6.1693 6.322342 8.403277 
1 1 1   32    4   20 o   31.726   9.8503 -22.5686   77.087   6.5330  105.271 -56.2163  113.196   33.250   14.170   30.202   13.686 3.048252 19.70059 
1 1 1   32    4   21 o  306.142   3.6788  5994.10  142.977  5928.66  199.227  6063.58  205.311  304.442   5.1531  307.842   5.2518 -3.400970 7.357663 
1 1 1   32    4   22 o   42.873   10.114   93.400   77.282  217.587  106.894 -42.6016  111.863   55.367   14.882   30.378   13.700 24.98902 20.22818 
1 1 1   32    4   23 o  132.068   8.8362  1147.26  148.197  1147.26  148.197   0.0000   0.0000  132.068   8.8362  ?   ?       ?      ? 
1 1 1   32    4   24 o  105.026   7.2490  724.937   92.139  683.518  112.985  807.173  159.202  101.483   8.7670  108.568   11.547 -7.085434 14.49804 
1 1 1   32    4   25 o   56.370   13.941  261.676  122.919  315.276  184.279  218.712  164.985   60.439   20.318   52.301   19.093 8.137653 27.88120 
1 1 1   32    6    0 o  420.752   4.0574 11261.47  216.430 11351.16  298.215 11161.66  314.597  422.541   5.5575  418.964   5.9129 3.577179 8.114723 
1 1 1   32    6    1 o  202.363   3.9075  2590.15   99.714  2496.14  132.366  2713.50  151.620  198.152   5.2602  206.574   5.7797 -8.421692 7.814987 
1 1 1   32    6    2 o  382.524   3.8325  9306.06  185.833  9347.11  255.488  9259.94  270.793  383.436   5.2469  381.612   5.5878 1.824097 7.665027 
1 1 1   32    6    3 o  441.487   4.1233 12393.03  231.046 12311.24  320.977 12480.98  332.844  439.986   5.7446  442.988   5.9166 -3.001862 8.246575 
1 1 1   32    6    4 o  310.738   3.5812  6140.30  140.930  6158.55  192.471  6119.21  206.925  311.251   4.8694  310.226   5.2524 1.025269 7.162308 
1 1 1   32    6    5 o  389.595   3.8651  9655.73  191.080  9736.77  265.704  9568.91  274.992  391.301   5.3470  387.888   5.5826 3.413574 7.730169 
1 1 1   32    6    6 o  199.030   3.7589  2523.56   93.871  2548.30  123.891  2490.22  143.839  200.202   4.8730  197.859   5.7246 2.343414 7.517766 
1 1 1   32    6    7 o  389.533   3.8293  9656.00  189.267  9783.86  263.392  9519.50  272.151  392.216   5.2881  386.850   5.5397 5.365997 7.658506 
1 1 1   32    6    8 o  289.984   3.4883  5346.42  128.260  5325.58  176.404  5369.80  186.820  289.397   4.7999  290.572   5.0628 -1.175110 6.976500 
1 1 1   32    6    9 o  275.205   3.4553  4813.59  120.207  4783.28  162.167  4850.57  179.085  274.264   4.6560  276.145   5.1068 -1.881195 6.910677 
1 1 1   32    6   10 o  147.994   4.2866  1394.23   79.056  1393.21  102.375  1395.75  124.427  147.965   5.4483  148.023   6.6193 -0.5780029E-01 8.573124 
1 1 1   32    6   11 o  271.672   3.4967  4712.59  119.976  4883.56  163.188  4511.46  176.995  277.086   4.6376  266.257   5.2346 10.82919 6.993440 
1 1 1   32    6   12 o  209.396   3.7027  2751.01   97.080  2568.26  125.518  3023.09  153.152  200.895   4.9199  217.896   5.5347 -17.00079 7.405316 
1 1 1   32    6   13 o  492.293   4.3961 15438.71  274.641 15198.70  380.181 15700.67  397.180  488.321   6.1307  496.266   6.3022 -7.945160 8.792227 
1 1 1   32    6   14 o   66.929   8.5084  284.370   69.763  221.264   90.622  376.171  109.301   57.424   12.758   76.434   11.260 -19.01029 17.01687 
1 1 1   32    6   15 o  454.113   6.0305 13151.41  347.775 13151.41  347.775   0.0000   0.0000  454.113   6.0305  ?   ?       ?      ? 
1 1 1   32    6   16 o   49.363   9.8012  151.120   79.280  288.701  104.726 -33.5733  121.338   65.604   13.030   33.121   14.645 32.48280 19.60239 
1 1 1   32    6   17 o  504.079   4.5186 16223.03  289.072 16007.29  400.638 16457.30  417.502  500.627   6.3017  507.531   6.4777 -6.904419 9.037249 
1 1 1   32    6   18 o  286.934   3.7011  5248.52  134.492  5197.32  183.122  5308.49  198.170  285.463   5.0514  288.406   5.4107 -2.942749 7.402213 
1 1 1   32    6   19 o  331.033   3.6997  7001.01  155.396  7063.72  215.860  6933.54  223.886  332.616   5.1104  329.450   5.3513 3.166748 7.399467 
1 1 1   32    6   20 o  155.393   4.5678  1528.22   88.964  1421.81  115.297  1684.80  139.858  148.898   6.0975  161.888   6.8029 -12.99049 9.135608 
1 1 1   32    6   21 o  177.753   4.1443  2027.27   93.150  2000.11  125.675  2060.38  138.762  176.523   5.6063  178.983   6.1050 -2.460403 8.288575 
1 1 1   32    6   22 o  244.513   9.1892  3937.14  285.337   0.0000   0.0000  3937.14  285.337  ?   ?   244.513   9.1892      ?      ? 
1 1 1   32    6   23 o  232.538   5.7802  3562.41  170.559  3598.31  237.371  3524.08  245.233  233.936   7.9901  231.141   8.3546 2.795395 11.56033 
1 1 1   32    6   24 o  170.573   6.8987  1980.65  148.485  1809.58  215.097  2136.38  205.229  162.766   10.406  178.380   9.0597 -15.61386 13.79739 
1 1 1   32    8    0 o  196.382   4.1896  2455.30  102.826  2464.83  134.150  2441.73  160.104  196.877   5.3656  195.887   6.4360 0.9893951 8.379257 
1 1 1   32    8    1 o  190.849   4.2322  2280.54  100.313  2152.95  127.544  2487.46  162.424  183.992   5.4586  197.706   6.4692 -13.71440 8.464491 
1 1 1   32    8    2 o  334.167   3.8196  7094.85  160.974  7043.40  215.003  7160.49  242.831  332.819   5.0870  335.514   5.6992 -2.694183 7.639273 
1 1 1   32    8    3 o  412.784   4.0877 10809.47  213.178 10555.47  285.818 11127.91  320.032  407.369   5.5249  418.200   6.0260 -10.83148 8.175423 
1 1 1   32    8    4 o  216.032   3.8069  2980.78  102.894  3043.74  135.216  2894.17  158.591  218.787   4.8666  213.276   5.8554 5.511154 7.613816 
1 1 1   32    8    5 o  267.715   3.6773  4586.08  124.038  4826.88  168.063  4297.98  183.828  275.514   4.8034  259.916   5.5693 15.59747 7.354599 
1 1 1   32    8    6 o   96.146   5.9799  587.435   72.451  571.902   96.100  607.889  110.279   94.703   7.9906   97.588   8.8986 -2.884521 11.95971 
1 1 1   32    8    7 o  292.156   3.6210  5437.05  133.055  5483.35  176.767  5376.52  202.104  293.632   4.7405  290.681   5.4750 2.951691 7.242036 
1 1 1   32    8    8 o  269.793   3.6756  4640.54  124.605  4697.40  165.240  4565.58  189.722  271.754   4.7881  267.831   5.5780 3.923401 7.351181 
1 1 1   32    8    9 o  450.891   4.2330 12953.37  242.261 13298.04  340.723 12600.95  344.526  456.986   5.8711  444.797   6.0993 12.18896 8.465937 
1 1 1   32    8   10 o  202.641   3.8549  2582.66   97.710  2442.68  126.216  2792.03  154.361  195.908   5.0732  209.374   5.8055 -13.46571 7.709804 
1 1 1   32    8   11 f  217.928   3.8027  3040.45  104.032  3141.49  138.428  2909.33  157.694  222.163   4.9065  213.693   5.8109 8.469681 7.605340 
1 1 1   32    8   12 o   87.817   7.4037  504.234   79.835  534.298  102.586  458.065  127.128   91.343   8.8437   84.291   11.876 7.052361 14.80738 
1 1 1   32    8   13 f  351.776   5.4077  7884.22  241.578  7884.22  241.578   0.0000   0.0000  351.776   5.4077  ?   ?       ?      ? 
1 1 1   32    8   14 o  249.980   9.4970  4014.10  301.487   0.0000   0.0000  4014.10  301.487  ?   ?   249.980   9.4970      ?      ? 
1 1 1   32    8   15 o  177.872   4.0848  1996.94   91.551  1857.88  120.707  2185.29  140.477  170.687   5.5687  185.056   5.9776 -14.36935 8.169548 
1 1 1   32    8   16 o  104.678   6.3106  694.515   81.821  661.539  103.696  748.912  133.184  101.555   8.0406  107.801   9.7286 -6.246277 12.62127 
1 1 1   32    8   17 o  280.303   3.7564  4988.70  132.651  4815.72  175.519  5219.10  202.568  274.743   5.0306  285.863   5.5800 -11.11951 7.512873 
1 1 1   32    8   18 o  270.766   4.7365  4773.02  156.539  4433.15  254.685  4979.37  198.449  262.491   7.6403  279.041   5.6002 -16.55014 9.472967 
1 1 1   32    8   19 o  167.353   4.7784  1805.01   97.781  1814.57  122.953  1788.57  161.286  168.253   5.7543  166.452   7.6301 1.800980 9.556706 
1 1 1   32    8   20 o   54.418   10.094  195.459   77.734   76.413  104.723  341.544  116.007   38.792   14.983   70.044   13.532 -31.25183 20.18894 
1 1 1   32    8   21 o  347.929   6.3076  7943.64  278.341  7478.60  383.030  8463.99  405.171  337.130   8.9466  358.727   8.8940 -21.59671 12.61524 
1 1 1   32    8   22 o   71.053   13.851  405.770  128.770  395.828  193.076  413.735  172.819   69.586   20.477   72.521   18.658 -2.934929 27.70249 
1 1 1   32    8   23 o  290.815   5.5942  5610.69  206.348  5561.49  298.395  5655.77  285.662  289.257   8.1232  292.372   7.6938 -3.115295 11.18842 
1 1 1   32   10    0 o  171.859   4.5377  1878.67   96.676  1871.95  123.841  1889.16  154.689  171.516   5.6857  172.202   7.0737 -0.6854706 9.075448 
1 1 1   32   10    1 o   99.042   6.8901  617.839   84.870  584.854  108.269  670.414  136.689   95.715   8.9073  102.369   10.514 -6.654152 13.78020 
1 1 1   32   10    2 o  154.178   4.7114  1519.91   90.284  1543.43  116.791  1484.97  142.323  155.718   5.9060  152.639   7.3423 3.079132 9.422841 
1 1 1   32   10    3 o  177.836   4.4020  2027.77   97.630  2093.67  127.792  1935.39  151.305  181.382   5.5479  174.290   6.8360 7.091919 8.804039 
1 1 1   32   10    4 o  250.816   3.7987  3995.28  119.335  3955.77  155.988  4051.04  185.305  249.368   4.9258  252.265   5.7843 -2.896820 7.597458 
1 1 1   32   10    5 o  238.959   3.8988  3618.50  116.403  3547.49  150.924  3722.75  182.877  236.127   5.0331  241.791   5.9558 -5.664413 7.797698 
1 1 1   32   10    6 o  255.702   3.8310  4147.88  122.988  4070.96  161.489  4254.11  189.777  252.933   5.0276  258.470   5.7817 -5.537170 7.661911 
1 1 1   32   10    7 o  276.416   3.7913  4807.02  130.929  4564.70  168.746  5173.55  207.538  267.819   4.9615  285.013   5.7340 -17.19409 7.582558 
1 1 1   32   10    8 o  333.738   3.8934  7095.68  163.586  7109.94  217.651  7077.15  248.001  334.190   5.1285  333.286   5.8595 0.9040222 7.786841 
1 1 1   32   10    9 o  233.233   3.9932  3420.72  116.147  3242.08  149.036  3697.03  185.354  225.639   5.2011  240.827   6.0607 -15.18839 7.986451 
1 1 1   32   10   10 o  115.590   7.8894  854.351  115.809  854.351  115.809   0.0000   0.0000  115.590   7.8894  ?   ?       ?      ? 
1 1 1   32   10   12 o  155.059   6.3690  1534.78  125.415  1534.78  125.415   0.0000   0.0000  155.059   6.3690  ?   ?       ?      ? 
1 1 1   32   10   13 o  208.442   4.3358  2790.36  110.614  2839.00  139.663  2708.51  181.182  211.047   5.2110  205.838   6.9313 5.208832 8.671643 
1 1 1   32   10   14 o  216.770   5.2230  3035.90  142.128  2798.25  212.627  3227.84  191.092  208.868   8.0162  224.671   6.6976 -15.80205 10.44593 
1 1 1   32   10   15 o  258.912   4.0802  4249.57  128.172  4172.41  158.615  4394.77  217.575  255.777   4.8832  262.047   6.5381 -6.270340 8.160430 
1 1 1   32   10   16 o  232.901   4.0776  3395.61  115.128  3233.43  141.449  3713.92  198.163  225.059   4.9491  240.742   6.4818 -15.68369 8.155171 
1 1 1   32   10   17 o   99.374   7.5456  657.649   81.850  669.562   94.806  622.780  162.201  101.955   7.3223   96.792   13.196 5.162659 15.09120 
1 1 1   32   10   18 o   73.914   10.737  364.654   81.464  353.697   91.151  408.139  181.589   73.465   9.7702   74.364   19.122 -0.8989182 21.47324 
1 1 1   32   10   19 o  241.000   7.3518  3849.86  224.727  3595.81  311.980  4123.83  323.984  232.580   10.563  249.419   10.229 -16.83987 14.70359 
1 1 1   32   10   20 o   53.401   21.745  174.451  231.926   0.0000   0.0000  174.451  231.926  ?   ?    53.401   21.745      ?      ? 
1 1 1   32   12    0 o  109.138   6.6628  803.098   79.140  846.933   92.357  681.976  153.521  115.283   6.3085  102.992   11.738 12.29082 13.32561 
1 1 1   32   12    1 o   97.429   6.5161  579.063   75.186  533.626   89.701  686.388  137.860   91.419   7.7265  103.439   10.495 -12.02045 13.03228 
1 1 1   32   12    2 o   31.131   9.9413 -45.9509   72.109 -49.7780   83.154 -34.3469  144.794   25.678   11.673   36.584   16.095 -10.90612 19.88253 
1 1 1   32   12    3 o  121.380   5.8415  986.669   75.703  1028.91   87.282  858.385  152.101  127.110   5.4072  115.649   10.356 11.46061 11.68307 
1 1 1   32   12    4 o   35.538   10.542   22.030   71.167   24.748   81.934   13.679  143.612   31.617   12.905   39.459   16.672 -7.842012 21.08338 
1 1 1   32   12    5 o  230.367   4.2659  3254.71  104.269  3155.19  117.643  3619.30  225.168  222.705   4.1597  238.029   7.4490 -15.32422 8.531741 
1 1 1   32   12    6 o   54.411   11.394  155.893   74.149  116.000   83.983  296.934  157.914   42.723   13.682   66.098   18.224 -23.37580 22.78864 
1 1 1   32   12    7 o  295.290   4.7647  5339.53  157.935  5099.29  182.544  6054.70  314.960  282.958   5.0801  307.622   8.0623 -24.66348 9.529326 
1 1 1   32   12    8 o  230.607   6.2849  4183.99  145.725  5892.88  187.721  1592.51  231.170  304.185   4.8596  157.030   11.592 147.1551 12.56972 
1 1 1   32   12    9 o  153.051   5.5210  1473.48   84.880  1457.27   94.340  1542.36  194.478  151.252   4.9115  154.851   9.8896 -3.599228 11.04205 
1 1 1   32   12   10 o  110.664   6.4024  705.900   72.314  657.088   79.844  928.692  170.580  101.452   6.1973  119.876   11.205 -18.42415 12.80478 
1 1 1   32   12   11 o  311.393   4.2624  6357.62  141.655  6506.41  162.383  5883.84  289.756  319.711   3.9995  303.075   7.5285 16.63599 8.524884 
1 1 1   32   12   12 o  163.490   5.4111  1743.70   82.193  1757.76   89.871  1671.84  203.234  166.116   4.2602  160.865   9.9485 5.250763 10.82226 
1 1 1   32   12   13 o   46.422   11.334  110.142   62.420   97.920   67.567  181.320  163.054   38.852   12.254   53.992   19.071 -15.14006 22.66867 
1 1 1   32   12   14 o  127.792   5.9975  979.290   69.773  948.475   75.257  1167.91  186.190  121.874   4.8624  133.710   10.965 -11.83572 11.99492 
1 1 1   32   12   15 o  179.640   4.6116  2069.14   77.016  2066.78   84.032  2081.54  192.531  180.064   3.6748  179.216   8.4595 0.8483124 9.223246 
1 1 1   32   12   16 o   69.064   10.629  353.033   59.773  359.779   63.240  296.526  183.021   74.690   6.6674   63.438   20.185 11.25218 21.25794 
1 1 1   32   14    0 o  326.386   7.8793  6816.05  326.584   0.0000   0.0000  6816.05  326.584  ?   ?   326.386   7.8793      ?      ? 
1 1 1   32   14    1 o  121.697   13.568  962.398  209.686   0.0000   0.0000  962.398  209.686  ?   ?   121.697   13.568      ?      ? 
1 1 1   32   14    2 o   74.190   11.555  342.111   96.358  302.228  112.070  455.189  188.706   67.041   13.628   81.339   18.665 -14.29765 23.11023 
1 1 1   32   14    3 f  122.262   7.0268  875.402   95.310  795.264  108.578  1144.50  198.965  111.481   7.6694  133.043   11.776 -21.56182 14.05351 
1 1 1   32   14    4 o  166.052   5.3418  1786.36   96.192  1807.37  110.717  1721.68  194.274  168.407   5.1770  163.697   9.3454 4.710236 10.68351 
1 1 1   32   14    5 o  291.233   4.4023  5523.99  138.765  5628.15  159.851  5205.46  279.536  297.344   4.2333  285.122   7.7202 12.22186 8.804688 
1 1 1   32   14    6 f   79.123   9.5348  407.331   82.044  398.697   95.276  432.099  161.372   78.707   9.5322   79.540   16.516 -0.8327866 19.06958 
1 1 1   32   14    7 o  160.626   5.1528  1653.69   88.076  1654.91  100.257  1649.55  184.356  161.129   4.8996  160.122   9.0663 1.007645 10.30554 
1 1 1   32   14    8 o   47.887   11.304  153.791   76.408  181.704   84.738   32.378  176.727   51.741   12.932   44.033   18.544 7.707878 22.60767 
1 1 1   32   14    9 o   95.110   8.6199  545.394   78.560  522.953   85.648  664.383  197.221   90.261   7.4720   99.959   15.536 -9.698082 17.23989 
1 1 1   32   14   10 o  226.889   4.4625  3271.40  103.125  3253.86  115.302  3341.52  230.557  225.970   4.0180  227.808   7.9695 -1.837387 8.925097 
1 1 1   32   14   11 o   40.706   11.147   83.559   72.561   95.828   81.088   34.254  162.553   39.311   13.476   42.101   17.760 -2.790096 22.29430 
1 1 1   32   14   12 o  149.258   4.9977  1425.11   94.730  1425.11   94.730   0.0000   0.0000  149.258   4.9977  ?   ?       ?      ? 
1 1 1   32   14   13 o   66.731   10.330  293.412   87.542  293.412   87.542   0.0000   0.0000   66.731   10.330  ?   ?       ?      ? 
1 1 1   32   16    0 f  221.972   5.0972  3296.34  124.425  3451.29  145.626  2877.33  239.468  232.619   4.9297  211.325   8.9232 21.29369 10.19432 
1 1 1   32   16    1 o  286.768   4.5821  5219.03  145.355  5173.55  168.059  5354.06  289.590  284.861   4.6457  288.675   7.8995 -3.814484 9.164283 
1 1 1   32   16    2 o   32.944   10.472 -44.9458   89.045   4.4295  105.210 -169.6232  167.184   33.147   14.147   32.741   15.443 0.4055405 20.94332 
1 1 1   32   16    3 o  164.946   5.4643  1724.70   99.470  1700.28  114.748  1798.53  199.520  163.121   5.5393  166.772   9.4208 -3.651169 10.92864 
1 1 1   32   16    4 o  248.780   4.6043  3951.16  126.062  3935.39  145.554  3998.52  252.178  248.368   4.6148  249.192   7.9688 -0.8245544 9.208620 
1 1 1   32   16    5 o  128.969   7.1455  1112.43  108.464  1171.17  132.949  995.508  187.562  134.837   7.7642  123.100   11.998 11.73754 14.29109 
1 1 1   32   16    6 o  169.442   6.0953  1840.84  131.157  1840.84  131.157   0.0000   0.0000  169.442   6.0953  ?   ?       ?      ? 
1 1 1   32   16    7 o  100.699   9.2156  659.826  117.849  659.826  117.849   0.0000   0.0000  100.699   9.2156  ?   ?       ?      ? 
1 1 1   32   16    8 o   88.348   9.7517  511.032  109.410  511.032  109.410   0.0000   0.0000   88.348   9.7517  ?   ?       ?      ? 
1 1 1   32   16    9 o   41.984   15.167  107.972  103.718  107.972  103.718   0.0000   0.0000   41.984   15.167  ?   ?       ?      ? 
1 1 1   32   16   10 o   22.049   10.869 -218.4678  108.784 -218.4678  108.784   0.0000   0.0000   22.049   10.869  ?   ?       ?      ? 
1 1 1   32   18    0 o   28.071   13.552 -201.7733  145.500 -201.7733  145.500   0.0000   0.0000   28.071   13.552  ?   ?       ?      ? 
1 1 1   32   18    1 f  106.176   9.8181  742.529  132.382  742.529  132.382   0.0000   0.0000  106.176   9.8181  ?   ?       ?      ? 
1 1 1   32   18    2 o   23.857   11.669 -206.6785  117.858 -206.6785  117.858   0.0000   0.0000   23.857   11.669  ?   ?       ?      ? 
1 1 1   32   18    3 o   20.619   10.379 -363.3889  123.790 -363.3889  123.790   0.0000   0.0000   20.619   10.379  ?   ?       ?      ? 
1 1 1   32   18    4 o  259.667   5.4679  4338.81  180.308  4338.81  180.308   0.0000   0.0000  259.667   5.4679  ?   ?       ?      ? 
1 1 1   32   18    5 o   43.112   16.722  105.450  130.862  105.450  130.862   0.0000   0.0000   43.112   16.722  ?   ?       ?      ? 
1 1 1   32   18    6 o   29.637   13.897 -102.6743  131.991 -102.6743  131.991   0.0000   0.0000   29.637   13.897  ?   ?       ?      ? 
1 1 1   32   18    7 o   41.402   16.122   98.935  122.016   98.935  122.016   0.0000   0.0000   41.402   16.122  ?   ?       ?      ? 
1 1 1   32   18    8 o   66.828   12.865  320.533  105.222  320.533  105.222   0.0000   0.0000   66.828   12.865  ?   ?       ?      ? 
1 1 1   32   20    0 o   78.312   16.733  480.423  161.357  480.423  161.357   0.0000   0.0000   78.312   16.733  ?   ?       ?      ? 
1 1 1   32   20    1 o   29.028   13.906 -145.3942  146.505 -145.3942  146.505   0.0000   0.0000   29.028   13.906  ?   ?       ?      ? 
1 1 1   32   20    2 o  120.934   9.9358  1001.15  152.590  1001.15  152.590   0.0000   0.0000  120.934   9.9358  ?   ?       ?      ? 
1 1 1   32   20    3 o   53.635   18.495  240.613  152.835  240.613  152.835   0.0000   0.0000   53.635   18.495  ?   ?       ?      ? 
1 1 1   33    1    0 o  294.093   3.5851  5496.25  133.859  5552.47  187.758  5438.14  190.890  295.625   5.0013  292.561   5.1379 3.064056 7.170152 
1 1 1   33    1    1 o  569.751   4.8571 20635.16  351.411 20845.28  500.431 20430.75  493.582  572.611   6.8819  566.892   6.8562 5.719360 9.714278 
1 1 1   33    1    2 o  629.339   5.2548 25190.28  419.968 25212.48  594.031 25168.10  593.819  629.616   7.4294  629.061   7.4333 0.5549316 10.50956 
1 1 1   33    1    3 o  427.396   3.9650 11597.59  215.068 12015.69  310.872 11213.79  297.849  434.773   5.6304  420.018   5.5841 14.75455 7.929918 
1 1 1   33    1    4 o  194.735   4.2082  2433.88   98.248  2481.75  121.121  2341.79  167.995  197.608   4.8266  191.862   6.8949 5.745544 8.416410 
1 1 1   33    1    5 o   35.823   9.6888   48.814   61.813   20.117   81.291   88.151   95.176   31.209   12.810   40.437   14.540 -9.227703 19.37763 
1 1 1   33    1    6 o  179.830   3.6052  2055.56   82.314  1994.10  115.633  2118.70  117.200  177.104   5.1414  182.557   5.0554 -5.453094 7.210425 
1 1 1   33    1    7 o   45.830   9.5304  134.674   63.390  197.444   86.285   61.068   93.437   54.463   12.708   37.198   14.207 17.26533 19.06088 
1 1 1   33    1    8 o  279.403   3.3670  4958.08  119.398  4824.62  165.404  5103.28  172.531  275.483   4.7280  283.322   4.7952 -7.838989 6.734063 
1 1 1   33    1    9 o   51.469   9.3743  178.193   61.979  202.318   83.639  148.811   92.303   55.139   12.262   47.799   14.183 7.339237 18.74858 
1 1 1   33    1   10 o  185.308   3.5069  2184.30   82.506  2210.26  115.845  2157.58  117.535  186.430   4.8931  184.187   5.0249 2.242767 7.013757 
1 1 1   33    1   11 o  196.999   3.4253  2468.08   85.684  2425.55  120.706  2511.28  121.651  195.286   4.8672  198.711   4.8208 -3.424408 6.850527 
1 1 1   33    1   12 o   52.597   9.0858  185.877   61.122  233.647   85.863  136.803   87.027   59.323   11.813   45.871   13.808 13.45232 18.17157 
1 1 1   33    1   13 o  156.154   3.8317  1554.45   75.741  1582.55  103.604  1522.18  111.007  157.690   5.1737  154.618   5.6534 3.071564 7.663407 
1 1 1   33    1   14 o   81.878   6.5786  429.002   68.230  425.368   93.048  433.229  100.349   81.527   8.9873   82.230   9.6095 -0.7036667 13.15729 
1 1 1   33    1   15 o  287.097   3.5436  5247.05  129.173  5291.87  184.729  5204.17  180.696  288.291   5.0458  285.903   4.9768 2.388062 7.087198 
1 1 1   33    1   16 o  363.229   3.9205  8410.35  180.781  8196.00  256.439  8622.11  254.894  358.606   5.6310  367.852   5.4564 -9.245697 7.841001 
1 1 1   33    1   17 o   23.371   8.0886 -219.7803   80.250 -175.7562  115.451 -260.9362  111.627   25.087   12.101   21.654   10.736 3.433313 16.17714 
1 1 1   33    1   18 o  401.049   3.9112 10253.73  199.130 10441.51  286.201 10077.53  277.239  404.594   5.5702  397.504   5.4921 7.089233 7.822419 
1 1 1   33    1   19 o  154.876   4.5943  1535.47   90.224  1511.31  130.648  1557.50  124.747  153.675   6.6946  156.076   6.2938 -2.401276 9.188574 
1 1 1   33    1   20 o   79.879   7.9774  429.123   76.552  537.097  107.740  319.036  108.789   91.125   9.3102   68.633   12.957 22.49223 15.95474 
1 1 1   33    1   21 o  170.692   4.3857  1872.18   94.904  1987.62  133.780  1755.23  134.652  176.058   5.9835  165.326   6.4135 10.73244 8.771302 
1 1 1   33    1   22 o   94.682   7.0564  583.943   84.238  496.030  113.651  691.121  125.487   86.736   10.318  102.628   9.6285 -15.89116 14.11273 
1 1 1   33    1   24 o  112.676   6.1441  835.725   87.489  782.562  116.922  903.360  131.880  108.755   8.4658  116.597   8.9066 -7.841919 12.28815 
1 1 1   33    1   25 o   75.030   9.1801  395.577   84.683  336.576  109.896  481.820  132.867   67.728   13.252   82.332   12.708 -14.60418 18.36013 
1 1 1   33    3    0 o  376.822   3.8045  9013.51  181.901  8787.79  251.023  9263.08  263.957  371.864   5.3156  381.780   5.4443 -9.915894 7.608942 
1 1 1   33    3    1 o  559.241   4.8093 19882.78  341.502 20250.15  488.002 19530.22  478.064  564.301   6.8098  554.181   6.7929 10.11975 9.618575 
1 1 1   33    3    2 o  327.225   3.5938  6806.82  149.272  6859.54  208.454  6751.34  213.855  328.531   4.9964  325.919   5.1669 2.611755 7.187562 
1 1 1   33    3    3 o  307.751   3.5109  6023.54  137.124  6225.56  192.971  5817.49  194.889  312.973   4.8552  302.528   5.0728 10.44446 7.021822 
1 1 1   33    3    4 o  363.255   3.6769  8388.85  169.614  8422.59  239.453  8354.87  240.289  363.990   5.1803  362.520   5.2194 1.469543 7.353765 
1 1 1   33    3    5 o  193.723   3.6598  2403.95   89.336  2597.42  122.401  2183.41  130.684  202.146   4.7681  185.301   5.5535 16.84424 7.319572 
1 1 1   33    3    6 o  156.184   3.9027  1555.78   76.838  1591.56  103.287  1511.43  114.980  158.216   5.1407  154.151   5.8735 4.065033 7.805420 
1 1 1   33    3    7 o  171.038   3.6668  1853.89   79.424  1780.85  107.617  1941.25  117.704  167.357   5.0636  174.720   5.3048 -7.362671 7.333583 
1 1 1   33    3    8 f  209.662   3.4154  2793.53   90.786  2771.83  124.641  2818.05  132.501  208.802   4.7005  210.521   4.9562 -1.719009 6.830716 
1 1 1   33    3    9 o  118.632   4.6602  887.442   69.856  808.037   93.336  988.569  105.331  112.659   6.5239  124.604   6.6565 -11.94448 9.320421 
1 1 1   33    3   10 o   63.852   8.3104  268.814   65.034  344.069   93.133  197.198   90.853   73.365   9.9962   54.339   13.279 19.02674 16.62074 
1 1 1   33    3   11 o  325.373   3.4870  6717.79  143.880  6428.17  197.200  7047.46  210.395  317.898   4.8847  332.848   4.9775 -14.94998 6.973963 
1 1 1   33    3   12 o  327.334   3.4938  6816.81  145.226  6921.75  205.993  6713.10  204.774  329.841   4.9178  324.826   4.9642 5.015350 6.987671 
1 1 1   33    3   13 o  105.239   5.1853  713.286   68.639  796.500   94.959  622.234   99.329  111.771   6.6900   98.708   7.9241 13.06243 10.37050 
1 1 1   33    3   14 o  236.695   3.4677  3566.55  104.214  3587.29  146.197  3545.13  148.593  237.402   4.8493  235.990   4.9582 1.412079 6.935385 
1 1 1   33    3   15 o  248.523   3.5566  3906.79  111.836  4247.10  167.136  3630.89  150.491  258.248   5.0963  238.798   4.9625 19.45035 7.113299 
1 1 1   33    3   16 o  399.194   5.7933 10161.02  293.688 10161.02  293.688   0.0000   0.0000  399.194   5.7933  ?   ?       ?      ? 
1 1 1   33    3   17 o  310.979   3.6259  6165.23  143.132  6297.03  201.016  6029.69  203.852  314.372   5.0351  307.587   5.2188 6.784943 7.251765 
1 1 1   33    3   18 o   43.891   10.863  114.407   75.124  132.486  101.662   92.660  111.500   45.723   15.083   42.058   15.637 3.665497 21.72589 
1 1 1   33    3   19 o  326.776   3.6388  6813.51  150.994  6721.48  212.410  6907.52  214.682  324.543   5.1538  329.009   5.1382 -4.465698 7.277523 
1 1 1   33    3   20 o  281.826   3.6397  5067.17  130.121  4925.87  179.001  5225.50  189.485  277.689   5.0760  285.962   5.2178 -8.272491 7.279491 
1 1 1   33    3   21 o  190.314   4.0719  2320.46   98.275  2280.39  134.987  2365.66  143.353  188.608   5.6358  192.021   5.8787 -3.413895 8.143764 
1 1 1   33    3   22 o  103.936   7.6286  717.556   97.341  970.490  143.118  499.833  132.783  121.599   9.2681   86.274   12.120 35.32471 15.25716 
1 1 1   33    3   23 o   33.417   10.317 -40.2029   87.892   76.206  129.336 -140.0892  119.806   40.442   16.321   26.392   12.625 14.04991 20.63427 
1 1 1   33    3   24 o   36.755   10.259  -3.8725   83.016 -145.7371  110.796  177.713  125.351   24.543   11.843   48.967   16.756 -24.42364 20.51847 
1 1 1   33    3   25 o  208.086   6.1040  2910.53  161.288  2859.25  226.759  2963.05  229.456  206.195   8.6598  209.978   8.6049 -3.783600 12.20809 
1 1 1   33    5    0 o  139.607   5.6416  1232.12   99.151  1304.79  152.232  1178.58  130.666  143.138   8.3748  136.076   7.5614 7.061768 11.28329 
1 1 1   33    5    1 o  191.422   3.8779  2347.67   93.440  2507.00  126.895  2158.95  138.105  198.591   5.0316  184.252   5.9022 14.33904 7.755863 
1 1 1   33    5    2 o   89.181   6.5246  497.406   72.968  449.876   94.519  567.513  114.794   84.022   8.8583   94.341   9.5817 -10.31931 13.04910 
1 1 1   33    5    3 o   80.867   7.0145  418.757   71.297  428.981   94.965  405.551  107.933   82.032   9.1160   79.703   10.664 2.329651 14.02899 
1 1 1   33    5    4 o  158.798   3.9769  1596.14   79.341  1554.12  104.211  1654.09  122.377  156.340   5.2489  161.257   5.9759 -4.917435 7.953715 
1 1 1   33    5    5 o   71.934   8.1364  338.986   71.768  366.005   97.378  306.859  106.184   75.719   10.127   68.150   12.738 7.568810 16.27274 
1 1 1   33    5    6 o  261.827   3.5640  4338.83  117.541  4208.68  155.562  4512.01  179.439  257.292   4.7610  266.362   5.3048 -9.070129 7.127980 
1 1 1   33    5    7 o  127.034   4.8096  1040.81   76.126  1108.78  100.493  949.280  116.614  132.003   5.9948  122.065   7.5228 9.937576 9.619267 
1 1 1   33    5    8 o  160.461   4.0785  1617.01   82.283  1496.60  107.603  1786.57  127.691  153.375   5.5245  167.546   6.0013 -14.17123 8.156932 
1 1 1   33    5    9 o  183.863   3.6414  2137.83   84.209  2064.13  110.810  2238.57  129.555  180.154   4.8435  187.573   5.4388 -7.418854 7.282871 
1 1 1   33    5   10 o  195.860   3.5836  2444.16   88.469  2471.54  118.468  2409.62  133.020  197.127   4.7323  194.594   5.3828 2.532898 7.167289 
1 1 1   33    5   11 f  370.881   3.7356  8753.74  175.758  8744.12  242.964  8764.30  254.559  370.686   5.1613  371.075   5.4019 -0.3885803 7.471254 
1 1 1   33    5   12 o  282.525   3.4454  5069.61  123.172  4969.67  166.529  5190.31  183.018  279.479   4.6920  285.570   5.0467 -6.091370 6.890869 
1 1 1   33    5   13 o  520.059   4.5590 17231.70  300.850 16894.71  415.707 17602.29  435.945  514.755   6.3593  525.363   6.5342 -10.60828 9.117947 
1 1 1   33    5   14 o  256.335   3.5484  4184.60  115.491  4257.58  162.965  4110.98  163.695  258.588   4.9626  254.081   5.0732 4.506699 7.096817 
1 1 1   33    5   15 o  355.734   5.4095  8064.12  244.377  8064.12  244.377   0.0000   0.0000  355.734   5.4095  ?   ?       ?      ? 
1 1 1   33    5   16 o  190.705   4.0267  2311.06   96.717  2257.53  128.135  2381.96  147.448  188.194   5.3615  193.216   6.0092 -5.021790 8.053326 
1 1 1   33    5   17 o  221.011   3.8045  3117.97  106.610  3173.31  147.465  3057.37  154.307  223.099   5.2049  218.924   5.5503 4.174622 7.609010 
1 1 1   33    5   18 o  331.217   3.6769  6976.90  154.177  6728.55  208.538  7276.30  228.969  324.781   5.0561  337.653   5.3398 -12.87198 7.353793 
1 1 1   33    5   19 o   50.470   11.239  166.831   80.573  135.839  108.181  205.442  120.747   46.179   15.567   54.761   16.215 -8.582481 22.47830 
1 1 1   33    5   20 o   39.672   10.735   74.469   78.869  122.350  101.764   2.4530  124.803   43.924   15.095   35.419   15.268 8.505043 21.47030 
1 1 1   33    5   21 o  120.560   5.8096  960.220   84.982  1000.86  107.002  890.798  139.857  124.529   6.7662  116.591   9.4459 7.937927 11.61918 
1 1 1   33    5   22 o  255.808   5.8224  4218.63  189.145  4218.63  189.145   0.0000   0.0000  255.808   5.8224  ?   ?       ?      ? 
1 1 1   33    5   23 o   80.150   11.300  478.039  110.827  476.513  152.515  479.745  161.321   80.347   15.509   79.952   16.438 0.3952332 22.59926 
1 1 1   33    5   24 o   48.069   12.487  123.814  117.419 -66.5097  164.937  319.388  167.197   34.357   15.917   61.781   19.244 -27.42425 24.97331 
1 1 1   33    7    0 o  269.765   3.8224  4604.06  129.447  4478.08  169.602  4779.86  200.346  265.394   5.0323  274.136   5.7549 -8.742096 7.644774 
1 1 1   33    7    1 o  231.042   3.8784  3377.43  112.028  3299.40  145.356  3491.59  175.819  227.801   5.0246  234.283   5.9094 -6.481644 7.756802 
1 1 1   33    7    2 o  269.540   4.8962  4619.10  167.593  4619.10  167.593   0.0000   0.0000  269.540   4.8962  ?   ?       ?      ? 
1 1 1   33    7    3 o  374.333   3.8832  8923.94  184.246  9129.47  254.618  8698.02  266.946  378.886   5.2918  369.780   5.6846 9.105865 7.766480 
1 1 1   33    7    4 o   50.200   8.6784  154.300   70.557  310.299   95.431 -33.7950  104.789   69.668   10.786   30.732   13.598 38.93627 17.35678 
1 1 1   33    7    5 o  197.658   3.7563  2471.74   92.334  2421.18  118.515  2549.83  147.282  195.133   4.7826  200.184   5.7935 -5.051025 7.512554 
1 1 1   33    7    6 o  199.918   3.8069  2557.70   95.489  2650.56  126.983  2436.85  144.859  204.152   4.8979  195.685   5.8292 8.467087 7.613775 
1 1 1   33    7    7 o  247.488   3.5720  3888.51  111.473  3833.93  148.579  3958.79  168.607  245.530   4.7651  249.447   5.3226 -3.917374 7.143957 
1 1 1   33    7    8 o  120.451   5.1927  912.993   77.814  868.799   99.411  982.906  125.034  116.776   6.7035  124.125   7.9322 -7.348717 10.38538 
1 1 1   33    7    9 o  427.407   4.0418 11629.73  219.208 11620.01  303.979 11640.26  316.407  427.243   5.6026  427.570   5.8272 -0.3274231 8.083674 
1 1 1   33    7   10 o  181.189   4.0820  2077.90   93.172  1995.29  123.148  2188.49  142.489  177.030   5.4777  185.348   6.0536 -8.317917 8.164069 
1 1 1   33    7   11 o  320.140   3.6310  6500.72  146.985  6282.32  197.531  6771.69  220.019  314.167   4.9510  326.114   5.3127 -11.94696 7.262051 
1 1 1   33    7   12 o  109.279   5.7894  766.375   78.204  775.494  100.095  752.087  125.295  110.210   7.1518  108.349   9.1061 1.860641 11.57884 
1 1 1   33    7   13 f   43.929   10.972  100.762   76.539   60.533   99.037  160.424  120.609   37.595   14.557   50.263   16.422 -12.66855 21.94459 
1 1 1   33    7   14 o  427.406   4.1813 11641.24  226.825 12187.04  325.764 11127.62  316.016  437.137   5.8682  417.676   5.9579 19.46033 8.362563 
1 1 1   33    7   15 o   84.523   7.4644  484.731   75.434  558.758   96.989  371.392  120.010   93.377   8.1790   75.668   12.489 17.70885 14.92879 
1 1 1   33    7   16 o  248.547   3.6383  3943.12  114.327  3987.40  155.047  3890.37  169.249  250.129   4.8812  246.965   5.3965 3.163834 7.276544 
1 1 1   33    7   17 o  230.964   3.8196  3406.88  111.230  3416.69  148.815  3394.47  167.433  231.417   5.0638  230.512   5.7196 0.9047546 7.639117 
1 1 1   33    7   18 o  397.063   4.0239 10081.09  202.415 10044.96  276.614 10122.75  296.988  396.395   5.4950  397.732   5.8799 -1.337067 8.047883 
1 1 1   33    7   19 o   90.582   7.4344  540.052   79.452  545.079   96.412  529.415  140.260   91.766   8.2731   89.398   12.355 2.368469 14.86879 
1 1 1   33    7   20 o  284.568   3.8154  5192.85  137.679  5139.04  189.208  5253.40  200.717  283.074   5.2634  286.062   5.5252 -2.987579 7.630882 
1 1 1   33    7   21 o  276.888   9.1898  5053.15  323.138   0.0000   0.0000  5053.15  323.138  ?   ?   276.888   9.1898      ?      ? 
1 1 1   33    7   22 o   48.019   12.981  141.829  116.706  229.118  158.869   39.505  172.009   54.830   18.859   41.208   17.844 13.62189 25.96292 
1 1 1   33    7   23 o   86.814   12.279  591.444  130.551  568.505  187.512  613.024  181.870   84.490   18.026   89.138   16.680 -4.647858 24.55868 
1 1 1   33    9    0 o  234.933   3.9013  3510.03  114.882  3502.95  150.744  3519.84  177.436  234.687   5.0579  235.179   5.9411 -0.4924164 7.802507 
1 1 1   33    9    1 o  294.351   3.8675  5539.11  142.864  5702.31  189.708  5325.29  217.141  299.433   4.9889  289.270   5.9110 10.16284 7.734943 
1 1 1   33    9    2 o  317.571   3.8252  6426.39  152.909  6495.12  203.801  6337.87  231.290  319.560   5.0220  315.582   5.7712 3.977692 7.650333 
1 1 1   33    9    3 o  428.213   4.2263 11692.44  229.130 11968.43  314.297 11379.36  334.746  433.663   5.7070  422.763   6.2351 10.89948 8.452596 
1 1 1   33    9    4 o  144.536   4.7843  1313.89   85.862  1254.26  109.327  1409.85  138.702  140.354   6.1337  148.717   7.3442 -8.362610 9.568699 
1 1 1   33    9    5 o  116.100   5.4665  851.671   79.737  807.627  104.287  913.656  123.717  112.550   7.2964  119.650   8.1421 -7.100586 10.93302 
1 1 1   33    9    6 o   73.733   8.4034  342.014   75.833  288.369   97.061  426.068  121.494   66.008   12.022   81.457   11.745 -15.44926 16.80676 
1 1 1   33    9    7 o  146.795   4.9215  1342.19   89.378  1242.72  112.531  1512.17  147.101  139.652   6.3453  153.939   7.5247 -14.28761 9.842942 
1 1 1   33    9    8 o  100.622   6.5196  649.720   80.775  654.895  102.638  641.300  130.924  101.251   7.9824   99.993   10.310 1.257614 13.03920 
1 1 1   33    9    9 o  214.046   4.0078  2876.92  107.425  2684.96  138.926  3162.38  169.413  205.334   5.3278  222.758   5.9887 -17.42387 8.015603 
1 1 1   33    9   10 o   67.816   10.136  297.707   83.474  242.318  107.033  383.700  133.363   59.939   14.267   75.694   14.400 -15.75520 20.27107 
1 1 1   33    9   11 o  213.905   5.9434  2917.29  161.450  2917.29  161.450   0.0000   0.0000  213.905   5.9434  ?   ?       ?      ? 
1 1 1   33    9   12 o  123.616   6.9277  1016.71  104.891  1206.21  140.813  780.500  157.213  137.254   8.0787  109.978   11.257 27.27576 13.85548 
1 1 1   33    9   13 o  297.772   3.9040  5653.50  145.529  5653.23  190.450  5653.88  225.606  297.868   5.0348  297.677   5.9680 0.1911926 7.808065 
1 1 1   33    9   14 o  313.159   3.8631  6220.22  151.182  6065.81  195.906  6447.58  237.718  308.495   5.0006  317.823   5.8898 -9.327515 7.726280 
1 1 1   33    9   15 f  100.385   7.1375  609.467   85.417  538.793  102.027  775.081  156.183   91.497   8.7807  109.272   11.255 -17.77457 14.27503 
1 1 1   33    9   16 o  112.773   6.5247  796.876   86.709  757.489  103.588  889.071  158.485  108.589   7.5118  116.956   10.671 -8.367096 13.04942 
1 1 1   33    9   17 o   55.730   12.868  160.448  114.333  371.275  182.174   23.442  146.857   71.797   19.483   39.664   16.815 32.13301 25.73579 
1 1 1   33    9   18 f  142.224   6.3105  1231.99   99.888  1148.20  114.494  1499.01  204.381  133.507   6.7531  150.941   10.662 -17.43430 12.62105 
1 1 1   33    9   19 o  103.201   11.760  840.792  106.821  887.903  118.110  629.097  250.368  116.779   7.9642   89.622   22.130 27.15725 23.51953 
1 1 1   33    9   20 o   28.718   10.120 -412.1090  139.566 -360.0422  172.846 -509.6552  236.583   26.864   13.326   30.573   15.235 -3.708847 20.24043 
1 1 1   33    9   21 o  126.316   13.065  1118.26  209.583   0.0000   0.0000  1118.26  209.583  ?   ?   126.316   13.065      ?      ? 
1 1 1   33   11    0 o  256.222   4.1246  4190.25  132.327  4241.12  173.810  4120.10  204.093  258.140   5.3020  254.304   6.3197 3.835480 8.249249 
1 1 1   33   11    1 o  133.897   5.7137  1144.34   95.200  1142.52  122.899  1147.07  150.532  133.839   7.2308  133.956   8.8489 -0.1167908 11.42749 
1 1 1   33   11    2 o   67.910   9.9261  297.152   81.463  248.300  103.940  374.947  131.164   60.846   13.772   74.974   14.298 -14.12748 19.85223 
1 1 1   33   11    3 o  104.321   6.9768  695.031   89.909  687.648  114.306  707.010  145.599  103.703   8.6797  104.939   10.926 -1.236130 13.95367 
1 1 1   33   11    4 o   87.427   7.7383  488.108   85.166  470.143  112.366  512.359  130.556   85.602   10.337   89.251   11.519 -3.649147 15.47659 
1 1 1   33   11    5 f  179.821   4.5077  2026.33  101.070  1888.02  129.340  2243.24  161.974  172.127   5.9171  187.514   6.8020 -15.38705 9.015447 
1 1 1   33   11    6 o  510.780   4.7625 16637.27  307.562 16544.03  415.374 16750.43  457.604  509.310   6.4221  512.251   7.0344 -2.940521 9.525082 
1 1 1   33   11    7 f  286.434   4.0350  5261.13  145.211  5482.62  194.256  4980.61  218.613  293.396   5.2137  279.472   6.1597 13.92401 8.069944 
1 1 1   33   11    8 o  209.288   6.1753  2793.73  164.126  2793.73  164.126   0.0000   0.0000  209.288   6.1753  ?   ?       ?      ? 
1 1 1   33   11    9 o  152.381   9.2716  1490.64  179.417   0.0000   0.0000  1490.64  179.417  ?   ?   152.381   9.2716      ?      ? 
1 1 1   33   11   10 o  116.364   6.5879  865.753   94.689  852.571  120.249  887.266  153.621  115.354   8.2086  117.374   10.306 -2.020332 13.17574 
1 1 1   33   11   11 o   93.982   7.8518  570.669   88.637  570.255  109.002  571.477  152.290   94.202   9.1117   93.763   12.790 0.4392242 15.70352 
1 1 1   33   11   12 o  154.765   5.4514  1559.15   99.001  1599.94  119.982  1472.12  175.241  158.281   5.9691  151.249   9.1236 7.032394 10.90274 
1 1 1   33   11   13 o   43.613   11.065  110.397   81.504  159.512   96.792  -9.3026  151.105   48.771   14.536   38.455   16.688 10.31571 22.13081 
1 1 1   33   11   14 o  201.637   4.3227  2564.25  104.016  2493.46  126.208  2714.17  183.659  197.624   5.0288  205.651   7.0324 -8.026291 8.645470 
1 1 1   33   11   15 o   85.502   8.0446  454.765   80.717  417.647   95.580  547.052  150.712   80.186   9.3863   90.819   13.068 -10.63319 16.08928 
1 1 1   33   11   16 o   94.807   8.4754  588.089   96.455  570.183  117.846  624.430  167.883   93.300   9.9462   96.313   13.726 -3.013268 16.95074 
1 1 1   33   11   17 o  146.506   13.227  1456.61  246.091   0.0000   0.0000  1456.61  246.091  ?   ?   146.506   13.227      ?      ? 
1 1 1   33   13    0 o  177.402   5.3595  1971.78  102.351  1937.65  116.557  2086.74  213.925  174.413   5.2623  180.390   9.3384 -5.976685 10.71904 
1 1 1   33   13    1 o   26.620   9.1107 -168.3698   85.652 -105.6256   98.025 -370.9163  176.121   25.177   11.860   28.064   13.834 -2.886526 18.22145 
1 1 1   33   13    2 o  213.610   5.2196  2766.42  118.274  2652.48  133.147  3192.61  257.519  204.070   5.1378  223.150   9.0873 -19.08060 10.43915 
1 1 1   33   13    3 o  509.188   5.5563 16518.75  304.201 16458.22  347.408 16717.73  629.841  508.213   5.3829  510.163   9.7217 -1.949280 11.11251 
1 1 1   33   13    4 o  226.742   5.9040  3692.61  148.864  4430.23  184.596  2320.73  251.747  263.629   5.5138  189.854   10.442 73.77490 11.80798 
1 1 1   33   13    5 o  149.689   6.0472  1344.69   96.952  1272.26  109.324  1611.45  209.811  141.206   6.0966  158.172   10.445 -16.96643 12.09431 
1 1 1   33   13    6 o   88.028   8.6695  465.396   80.470  438.582   90.135  570.700  178.622   82.693   8.5832   93.363   15.065 -10.66998 17.33896 
1 1 1   33   13    7 o  115.429   6.4383  817.931   79.400  787.258   89.746  928.429  170.340  111.023   6.3654  119.836   11.193 -8.813492 12.87651 
1 1 1   33   13    8 o  271.824   4.2900  4705.80  123.670  4695.27  140.447  4742.13  260.928  271.577   4.0723  272.071   7.5520 -0.4934387 8.579993 
1 1 1   33   13    9 o   83.729   8.8571  370.851   75.804  321.224   83.034  619.146  185.732   70.604   9.2608   96.853   15.101 -26.24930 17.71414 
1 1 1   33   13   10 o  190.816   5.1909  2354.77  115.985  2385.65  139.838  2286.71  207.630  193.228   5.6987  188.405   8.6780 4.823029 10.38190 
1 1 1   33   13   11 o  210.260   4.5903  2961.73   97.855  3054.70  110.321  2618.70  211.919  218.956   3.9675  201.563   8.2791 17.39308 9.180645 
1 1 1   33   13   12 o  148.424   5.4602  1338.41   85.214  1278.63   95.565  1570.39  188.251  141.391   5.3223  155.457   9.5356 -14.06560 10.92041 
1 1 1   33   13   13 o  213.864   4.4301  2921.53  120.317  2921.53  120.317   0.0000   0.0000  213.864   4.4301  ?   ?       ?      ? 
1 1 1   33   13   14 o  142.454   5.3491  1301.98   96.768  1301.98   96.768   0.0000   0.0000  142.454   5.3491  ?   ?       ?      ? 
1 1 1   33   15    0 o   84.688   10.140  514.588   91.977  560.308  108.826  400.272  172.082   93.326   9.1823   76.050   18.083 17.27634 20.28050 
1 1 1   33   15    1 o   78.744   10.064  389.989   90.520  356.073  107.026  475.219  169.660   74.120   11.370   83.368   16.609 -9.247688 20.12785 
1 1 1   33   15    2 o  321.256   4.3749  6560.04  157.013  6521.59  182.608  6669.10  307.524  319.942   4.4944  322.570   7.5072 -2.628540 8.749704 
1 1 1   33   15    3 o  123.785   6.9517  969.673   94.407  950.539  108.469  1029.45  191.720  121.826   7.0111  125.744   12.006 -3.918037 13.90333 
1 1 1   33   15    4 o  114.892   7.5353  928.759   89.709  994.325  103.211  726.192  181.415  124.643   6.5205  105.142   13.587 19.50177 15.07052 
1 1 1   33   15    5 o  251.048   4.4166  3893.95  121.515  3764.92  139.051  4310.95  249.969  243.014   4.5057  259.082   7.5975 -16.06882 8.833107 
1 1 1   33   15    6 o  219.761   4.5533  3079.47  110.436  3064.53  127.663  3123.89  220.136  219.189   4.5863  220.333   7.8675 -1.143143 9.106665 
1 1 1   33   15    7 o  123.273   7.0670  996.715   97.755  1007.21  114.579  968.650  187.398  125.168   7.2083  121.377   12.158 3.790871 14.13399 
1 1 1   33   15    8 o  157.644   5.8261  1592.37  116.636  1592.37  116.636   0.0000   0.0000  157.644   5.8261  ?   ?       ?      ? 
1 1 1   33   15    9 o  165.984   5.5779  1765.95  117.574  1765.95  117.574   0.0000   0.0000  165.984   5.5779  ?   ?       ?      ? 
1 1 1   33   15   10 o  200.840   5.0433  2584.01  128.630  2584.01  128.630   0.0000   0.0000  200.840   5.0433  ?   ?       ?      ? 
1 1 1   33   15   11 o   19.953   9.9652 -264.3144  103.669 -264.3144  103.669   0.0000   0.0000   19.953   9.9652  ?   ?       ?      ? 
1 1 1   33   17    0 o   94.578   9.3388  582.667  102.617  562.121  121.790  632.950  190.528   92.654   10.351   96.501   15.547 -3.846565 18.67750 
1 1 1   33   17    1 o   80.350   12.138  456.673  117.329  446.056  148.938  474.039  190.479   79.959   15.224   80.742   18.909 -0.7832031 24.27597 
1 1 1   33   17    2 o   71.602   16.739  366.771  149.482  366.771  149.482   0.0000   0.0000   71.602   16.739  ?   ?       ?      ? 
1 1 1   33   17    3 o   85.983   12.893  495.883  140.780  495.883  140.780   0.0000   0.0000   85.983   12.893  ?   ?       ?      ? 
1 1 1   33   17    4 o   29.470   13.849 -118.2909  132.302 -118.2909  132.302   0.0000   0.0000   29.470   13.849  ?   ?       ?      ? 
1 1 1   33   17    5 o  137.367   7.5475  1225.06  131.662  1225.06  131.662   0.0000   0.0000  137.367   7.5475  ?   ?       ?      ? 
1 1 1   33   17    6 o  105.938   10.923  748.958  146.952  748.958  146.952   0.0000   0.0000  105.938   10.923  ?   ?       ?      ? 
1 1 1   33   17    7 o  159.512   7.1199  1653.56  144.228  1653.56  144.228   0.0000   0.0000  159.512   7.1199  ?   ?       ?      ? 
1 1 1   33   17    8 o   36.214   15.017   44.773  113.263   44.773  113.263   0.0000   0.0000   36.214   15.017  ?   ?       ?      ? 
1 1 1   33   17    9 o  146.609   6.1515  1394.27  114.529  1394.27  114.529   0.0000   0.0000  146.609   6.1515  ?   ?       ?      ? 
1 1 1   33   19    0 o  173.534   7.4762  1975.31  164.757  1975.31  164.757   0.0000   0.0000  173.534   7.4762  ?   ?       ?      ? 
1 1 1   33   19    1 o   96.157   12.414  642.334  151.591  642.334  151.591   0.0000   0.0000   96.157   12.414  ?   ?       ?      ? 
1 1 1   33   19    2 o   51.360   17.612  200.256  138.500  200.256  138.500   0.0000   0.0000   51.360   17.612  ?   ?       ?      ? 
1 1 1   33   19    3 f   44.488   16.933  132.358  132.455  132.358  132.455   0.0000   0.0000   44.488   16.933  ?   ?       ?      ? 
1 1 1   33   19    4 o   29.699   13.856 -79.1021  128.471 -79.1021  128.471   0.0000   0.0000   29.699   13.856  ?   ?       ?      ? 
1 1 1   33   19    5 o   57.905   16.433  265.327  126.455  265.327  126.455   0.0000   0.0000   57.905   16.433  ?   ?       ?      ? 
1 1 1   34    0    0 o  300.272   3.5629  5732.23  192.017  5732.23  192.017  5732.23  192.017  300.272   5.0387  300.272   5.0387 -0.000000 0.000000 
1 1 1   34    0    1 o  825.425   6.6652 43347.34  987.765 43347.34  987.765 43347.34  987.765  825.425   9.4260  825.425   9.4260 -0.000000 0.000000 
1 1 1   34    0    2 o  813.258   6.5660 42083.51  958.727 42083.51  958.727 42083.51  958.727  813.258   9.2857  813.258   9.2857 -0.000000 0.000000 
1 1 1   34    0    3 o  148.518   4.1085  1408.01  109.204  1408.01  109.204  1408.01  109.204  148.518   5.8103  148.518   5.8103 -0.000000 0.000000 
1 1 1   34    0    4 o   61.615   9.8223  275.539   94.831  275.539   94.831  275.539   94.831   61.615   13.891   61.615   13.891 -0.000000 0.000000 
1 1 1   34    0    5 o   76.680   7.4667  394.946   97.275  394.946   97.275  394.946   97.275   76.680   10.560   76.680   10.560 -0.000000 0.000000 
1 1 1   34    0    6 o  462.950   4.1824 13627.60  347.610 13627.60  347.610 13627.60  347.610  462.950   5.9148  462.950   5.9148 -0.000000 0.000000 
1 1 1   34    0    7 o   27.958   11.156   66.093   85.663   66.093   85.663   66.093   85.663   27.958   15.777   27.958   15.777 -0.000000 0.000000 
1 1 1   34    0    8 o  226.225   3.3426  3256.00  135.670  3256.00  135.670  3256.00  135.670  226.225   4.7271  226.225   4.7271 -0.000000 0.000000 
1 1 1   34    0    9 o  396.167   3.8012  9980.35  270.341  9980.35  270.341  9980.35  270.341  396.167   5.3757  396.167   5.3757 -0.000000 0.000000 
1 1 1   34    0   10 o   59.237   9.8950  257.876   91.416  257.876   91.416  257.876   91.416   59.237   13.994   59.237   13.994 -0.000000 0.000000 
1 1 1   34    0   11 f   27.008   11.248   53.543   92.906   53.543   92.906   53.543   92.906   27.008   15.907   27.008   15.907 -0.000000 0.000000 
1 1 1   34    0   12 o  130.811   4.3771  1095.54  102.307  1095.54  102.307  1095.54  102.307  130.811   6.1902  130.811   6.1902 -0.000000 0.000000 
1 1 1   34    0   13 o  316.086   3.4842  6355.89  197.682  6355.89  197.682  6355.89  197.682  316.086   4.9275  316.086   4.9275 -0.000000 0.000000 
1 1 1   34    0   14 o  382.832   3.7894  9325.66  260.422  9325.66  260.422  9325.66  260.422  382.832   5.3590  382.832   5.3590 -0.000000 0.000000 
1 1 1   34    0   15 o  ?   ?  -458.5149  111.410 -458.5149  111.410 -458.5149  111.410  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   34    0   16 f  ?   ?  -570.8194  121.824 -570.8194  121.824 -570.8194  121.824  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   34    0   17 o  141.366   4.9387  1282.49  124.688  1282.49  124.688  1282.49  124.688  141.366   6.9844  141.366   6.9844 -0.000000 0.000000 
1 1 1   34    0   18 f  248.418   3.5841  3931.51  159.754  3931.51  159.754  3931.51  159.754  248.418   5.0687  248.418   5.0687 -0.000000 0.000000 
1 1 1   34    0   19 o  113.083   5.9578  830.951  119.454  830.951  119.454  830.951  119.454  113.083   8.4257  113.083   8.4257 -0.000000 0.000000 
1 1 1   34    0   20 o   38.196   13.265  141.975  108.315  141.975  108.315  141.975  108.315   38.196   18.760   38.196   18.760 -0.000000 0.000000 
1 1 1   34    0   21 o  283.097   3.6509  5115.64  185.480  5115.64  185.480  5115.64  185.480  283.097   5.1631  283.097   5.1631 -0.000000 0.000000 
1 1 1   34    0   22 o  144.833   5.9276  1364.46  153.002  1364.46  153.002  1364.46  153.002  144.833   8.3829  144.833   8.3829 -0.000000 0.000000 
1 1 1   34    0   23 o  146.925   5.3077  1401.35  139.221  1401.35  139.221  1401.35  139.221  146.925   7.5063  146.925   7.5063 -0.000000 0.000000 
1 1 1   34    0   24 o   87.448   8.3529  531.675  124.444  531.675  124.444  531.675  124.444   87.448   11.813   87.448   11.813 -0.000000 0.000000 
1 1 1   34    0   25 o   48.654   17.030  273.223  179.104  273.223  179.104  273.223  179.104   48.654   24.084   48.654   24.084 -0.000000 0.000000 
1 1 1   34    2    0 o   59.505   10.088  235.887   75.252  246.263  104.360  224.648  108.612   60.872   13.816   58.138   14.702 2.733379 20.17515 
1 1 1   34    2    1 o  362.740   3.7152  8363.29  171.136  8306.04  240.745  8421.78  243.321  361.486   5.2443  363.994   5.2639 -2.508453 7.430447 
1 1 1   34    2    2 o  121.577   4.9428  939.651   76.281  908.235  106.082  973.286  109.767  119.475   6.9918  123.680   6.9887 -4.204727 9.885685 
1 1 1   34    2    3 o  277.794   4.2334  4866.37  141.714  5038.57  244.256  4778.99  173.993  281.399   6.8351  274.189   4.9969 7.210114 8.466882 
1 1 1   34    2    4 o  243.657   3.3931  3771.07  104.634  3741.41  141.973  3806.33  154.809  242.620   4.6079  244.695   4.9819 -2.075012 6.786165 
1 1 1   34    2    5 o  236.841   3.3907  3567.25  101.931  3622.45  142.626  3509.61  145.729  238.719   4.7047  234.962   4.8839 3.757431 6.781388 
1 1 1   34    2    6 o  255.938   3.3251  4160.25  107.778  4113.25  146.709  4215.35  158.859  254.380   4.5415  257.497   4.8580 -3.117310 6.650218 
1 1 1   34    2    7 o  207.137   4.2089  2752.52  107.779  2626.59  171.360  2834.94  138.635  203.135   6.6427  211.141   5.1704 -8.005920 8.417778 
1 1 1   34    2    8 o   95.078   5.6424  575.938   68.052  539.461   95.117  614.192   97.406   91.988   8.1423   98.168   7.8133 -6.180550 11.28473 
1 1 1   34    2    9 o  237.333   3.3541  3582.51  100.966  3816.79  143.743  3354.36  141.851  245.003   4.6200  229.664   4.8636 15.33829 6.708137 
1 1 1   34    2   10 o  201.824   3.4981  2587.92   89.563  2529.79  123.337  2652.77  130.271  199.435   4.8698  204.214   5.0232 -4.779037 6.996288 
1 1 1   34    2   11 o  330.199   3.5191  6934.62  147.524  7176.74  210.383  6700.40  206.921  335.874   4.9324  324.525   5.0209 11.34897 7.038274 
1 1 1   34    2   12 o  206.316   3.5629  2707.43   93.288  2673.72  129.272  2744.07  134.757  204.983   4.9660  207.649   5.1103 -2.666016 7.125760 
1 1 1   34    2   13 f  215.309   3.5170  2950.23   96.152  2921.64  134.719  2979.91  137.275  214.248   4.9515  216.370   4.9960 -2.121323 7.033956 
1 1 1   34    2   14 o  580.699   4.9701 21526.39  366.515 21504.69  518.696 21548.04  517.967  580.403   7.0373  580.995   7.0202 -0.5922852 9.940177 
1 1 1   34    2   15 o   42.141   11.509   67.673   89.796  129.176  130.265   11.987  123.951   47.593   17.021   36.689   15.495 10.90358 23.01721 
1 1 1   34    2   16 o  277.455   3.7543  4905.83  132.279  4941.42  187.814  4870.80  186.335  278.453   5.3113  276.457   5.3075 1.996185 7.508602 
1 1 1   34    2   17 o  387.062   3.9300  9555.99  193.155  9481.93  274.440  9628.69  271.902  385.562   5.6050  388.563   5.5103 -3.001434 7.859974 
1 1 1   34    2   18 o  166.240   4.3011  1766.30   90.754  1833.61  128.410  1699.14  128.281  169.425   5.9682  163.056   6.1951 6.368759 8.602237 
1 1 1   34    2   19 o  270.083   3.6468  4656.36  125.069  4614.25  175.537  4699.77  178.241  268.848   5.1414  271.319   5.1731 -2.471100 7.293516 
1 1 1   34    2   20 o  212.000   3.8201  2870.30  102.744  2760.93  141.523  2992.19  149.402  207.749   5.3643  216.252   5.4402 -8.502808 7.640135 
1 1 1   34    2   21 o   41.292   10.456   86.913   77.813  173.937  105.224 -18.1090  115.593   50.025   15.211   32.559   14.350 17.46681 20.91229 
1 1 1   34    2   23 o   55.691   11.125  230.513   82.297  250.267  117.559  211.528  115.247   57.994   15.615   53.389   15.849 4.605759 22.24935 
1 1 1   34    2   24 o   80.601   8.0550  449.078   82.432  445.829  115.283  452.477  117.913   80.357   11.297   80.845   11.485 -0.4879227 16.10993 
1 1 1   34    4    0 o  137.328   4.9498  1208.72   85.699  1322.99  118.430  1083.11  124.167  144.213   6.4667  130.443   7.4956 13.76906 9.899589 
1 1 1   34    4    1 o  175.872   4.1359  1956.95   91.606  1892.77  121.100  2042.80  140.060  172.533   5.5270  179.210   6.1542 -6.677307 8.271794 
1 1 1   34    4    2 o  179.594   4.0402  2042.75   91.563  1980.39  121.999  2123.18  138.556  176.481   5.4435  182.707   5.9716 -6.225693 8.080357 
1 1 1   34    4    3 o  129.241   4.9234  1053.80   80.282  986.227  106.453  1142.91  122.251  124.489   6.7336  133.993   7.1844 -9.504089 9.846707 
1 1 1   34    4    4 o  363.083   3.7476  8381.21  172.589  8351.88  238.113  8413.68  250.513  362.427   5.1735  363.740   5.4233 -1.313812 7.495135 
1 1 1   34    4    5 o   78.996   6.7880  381.286   66.540  319.565   83.958  485.534  109.113   70.776   9.3411   87.217   9.8514 -16.44113 13.57593 
1 1 1   34    4    6 o  151.162   4.1570  1459.85   78.972  1499.55  105.232  1408.66  119.488  153.549   5.3967  148.776   6.3243 4.772583 8.313915 
1 1 1   34    4    7 f  217.102   3.5174  2981.79   96.444  2858.42  128.740  3139.58  145.594  212.023   4.7814  222.181   5.1601 -10.15744 7.034790 
1 1 1   34    4    8 o  147.986   4.1128  1393.08   76.977  1387.37  104.162  1399.94  114.261  147.667   5.5545  148.305   6.0669 -0.6382446 8.225562 
1 1 1   34    4    9 o  484.352   5.2545 14944.85  306.271 14984.59  525.143 14924.36  377.033  484.538   8.5344  484.167   6.1321 0.3714600 10.50895 
1 1 1   34    4   10 o  227.929   3.4752  3296.38  100.436  3154.79  137.460  3458.53  147.106  222.697   4.8605  233.162   4.9682 -10.46469 6.950356 
1 1 1   34    4   11 o  361.428   3.6935  8314.76  169.474  8350.60  237.072  8277.31  242.360  362.236   5.1536  360.621   5.2921 1.615387 7.386906 
1 1 1   34    4   12 o  345.797   3.6287  7608.76  159.221  7540.81  220.365  7682.97  230.309  344.198   5.0415  347.396   5.2204 -3.198853 7.257374 
1 1 1   34    4   13 o   37.019   10.258   53.880   69.724   50.195   92.806   58.654  105.646   35.775   14.025   38.263   14.973 -2.487419 20.51558 
1 1 1   34    4   14 o  215.869   3.8359  2972.27  104.765  3301.99  149.408  2653.35  146.942  227.693   5.1671  204.044   5.6708 23.64926 7.671827 
1 1 1   34    4   15 o  130.150   5.6177  1086.60   92.430  1212.24  131.325  963.257  130.115  137.677   7.5112  122.623   8.3556 15.05463 11.23542 
1 1 1   34    4   16 o  281.583   3.5690  5040.81  127.481  4781.60  175.508  5330.30  185.475  273.938   5.0451  289.228   5.0497 -15.28973 7.138085 
1 1 1   34    4   17 o   87.084   7.0193  489.046   77.617  493.933  109.270  484.069  110.271   87.536   9.8296   86.632   10.023 0.9042130 14.03868 
1 1 1   34    4   18 o   34.024   10.110  -7.1626   75.400 -61.4587   97.833   72.270  118.332   27.426   12.542   40.622   15.861 -13.19612 20.22038 
1 1 1   34    4   19 o  220.330   3.9282  3117.29  109.423  3294.25  150.760  2920.30  159.067  227.055   5.2285  213.606   5.8640 13.44862 7.856419 
1 1 1   34    4   20 o  136.852   5.0990  1213.17   88.111  1278.12  120.553  1138.68  129.101  140.935   6.7357  132.769   7.6570 8.166290 10.19797 
1 1 1   34    4   21 o  243.151   3.8881  3789.08  119.883  4087.18  173.728  3518.09  165.640  252.299   5.4222  234.002   5.5740 18.29651 7.776255 
1 1 1   34    4   22 o   97.835   7.8090  649.652   95.407  598.340  144.859  688.961  126.790   93.816   12.159  101.853   9.8024 -8.037224 15.61808 
1 1 1   34    4   23 o  133.337   6.2816  1119.58   99.860  1009.88  119.647  1371.46  181.295  123.966   7.6001  142.709   10.004 -18.74370 12.56318 
1 1 1   34    4   24 o  102.987   10.129  795.101  123.148  1019.74  173.182  565.323  175.151  121.058   11.265   84.917   16.837 36.14046 20.25775 
1 1 1   34    6    0 o  117.085   5.7575  870.761   84.534  857.083  110.703  889.892  130.924  116.015   7.5140  118.155   8.7255 -2.140465 11.51494 
1 1 1   34    6    1 o  117.473   5.4987  872.911   80.380  849.565  103.162  908.984  128.233  115.522   7.0320  119.424   8.4553 -3.902840 10.99734 
1 1 1   34    6    2 f  256.628   3.7108  4160.94  119.782  4003.37  157.559  4376.72  184.378  250.930   4.9444  262.326   5.5346 -11.39630 7.421547 
1 1 1   34    6    3 f  130.494   4.9923  1074.92   81.077  1039.35  103.948  1130.18  129.555  127.793   6.4052  133.195   7.6593 -5.401253 9.984563 
1 1 1   34    6    4 o  273.993   3.6420  4768.23  125.715  4727.36  167.216  4821.36  190.657  272.670   4.8291  275.316   5.4531 -2.645721 7.283977 
1 1 1   34    6    5 o   43.513   10.905  106.285   74.645  110.558   96.643   99.965  117.519   43.151   14.713   43.876   16.100 -0.7256508 21.80967 
1 1 1   34    6    6 o   58.171   8.7025  206.137   71.724   29.224   95.943  430.258  107.988   34.314   13.981   82.028   10.367 -47.71409 17.40497 
1 1 1   34    6    7 o  328.876   3.5941  6880.30  150.020  7191.24  213.300  6575.93  211.038  336.240   4.9953  321.513   5.1687 14.72644 7.188117 
1 1 1   34    6    8 o  156.240   4.1491  1554.99   81.728  1562.25  109.345  1545.80  123.021  156.678   5.4956  155.802   6.2177 0.8764191 8.298267 
1 1 1   34    6    9 o  231.348   3.6220  3392.01  105.987  3262.18  142.574  3552.38  158.457  226.435   4.9582  236.261   5.2813 -9.825424 7.244009 
1 1 1   34    6   10 o  140.044   4.4008  1244.63   78.019  1190.32  105.411  1310.41  116.021  136.691   6.0725  143.397   6.3712 -6.705612 8.801559 
1 1 1   34    6   11 o  231.210   4.3464  3436.00  125.545  3231.95  192.593  3586.77  165.553  225.103   6.7372  237.316   5.4933 -12.21367 8.692884 
1 1 1   34    6   12 o   99.947   6.4913  651.157   80.488  704.004  105.960  579.068  123.757  104.938   7.9512   94.957   10.263 9.980797 12.98256 
1 1 1   34    6   13 o  328.258   5.5227  6866.21  230.221   0.0000   0.0000  6866.21  230.221  ?   ?   328.258   5.5227      ?      ? 
1 1 1   34    6   14 o   27.219   9.1701 -152.0418   85.776 -157.8733  112.247 -143.8567  132.984   25.267   12.122   29.172   13.763 -3.904812 18.34024 
1 1 1   34    6   15 o   43.514   10.242   98.428   78.349  202.874  102.873 -45.8368  120.903   54.757   14.547   32.271   14.422 22.48661 20.48465 
1 1 1   34    6   16 o  179.285   4.2114  2019.77   94.232  1888.12  120.888  2223.62  150.432  172.026   5.5337  186.544   6.3501 -14.51703 8.422896 
1 1 1   34    6   17 f  379.100   3.9443  9183.98  189.630  9286.00  262.279  9072.25  274.492  381.370   5.4155  376.829   5.7360 4.540833 7.888543 
1 1 1   34    6   18 o  115.600   5.7844  869.968   83.716  922.936  111.674  802.013  126.490  119.827   7.3387  111.373   8.9433 8.453461 11.56889 
1 1 1   34    6   19 o   95.851   6.8889  587.382   82.830  526.138  107.373  677.388  130.168   89.891   9.4060  101.812   10.068 -11.92152 13.77786 
1 1 1   34    6   20 o  161.256   4.7889  1667.18   95.677  1626.41  121.901  1732.57  154.404  158.981   6.0379  163.530   7.4351 -4.548309 9.577881 
1 1 1   34    6   21 o  229.214   5.9870  3390.73  174.273  3390.73  174.273   0.0000   0.0000  229.214   5.9870  ?   ?       ?      ? 
1 1 1   34    6   22 f  121.725   8.6195  1037.68  130.356  1146.54  174.625  900.664  195.908  130.257   10.557  113.193   13.629 17.06367 17.23907 
1 1 1   34    6   23 o  272.321   5.5178  4915.70  190.759  5030.90  269.015  4799.18  270.540  275.705   7.6834  268.937   7.9214 6.767609 11.03555 
1 1 1   34    8    0 o  211.480   4.1302  2829.91  109.577  2748.12  143.258  2945.23  170.109  207.849   5.4274  215.111   6.2271 -7.262848 8.260361 
1 1 1   34    8    1 o  185.438   4.1507  2186.74   96.717  2177.98  127.726  2198.52  148.076  185.031   5.4357  185.844   6.2742 -0.8123322 8.301373 
1 1 1   34    8    2 f  129.805   5.2209  1085.45   84.491  1144.43  111.281  1005.16  129.828  134.064   6.5363  125.546   8.1431 8.518333 10.44184 
1 1 1   34    8    3 o  240.665   3.7507  3683.95  113.879  3678.24  152.501  3691.15  171.216  240.480   4.9936  240.849   5.5979 -0.3692627 7.501492 
1 1 1   34    8    4 o   77.233   7.8184  377.308   76.182  340.088  100.996  426.442  116.038   72.878   10.913   81.589   11.199 -8.711372 15.63685 
1 1 1   34    8    5 o  136.300   4.8778  1178.70   82.875  1157.78  106.957  1210.13  131.101  134.837   6.2463  137.763   7.4937 -2.926514 9.755615 
1 1 1   34    8    6 o  101.736   6.4730  668.920   80.992  693.197  103.540  630.647  130.006  104.232   7.8222   99.241   10.316 4.991165 12.94603 
1 1 1   34    8    7 o  307.645   3.7065  6000.74  143.470  5861.36  189.403  6188.37  219.758  303.514   4.9140  311.777   5.5504 -8.263306 7.413086 
1 1 1   34    8    8 o  181.444   4.1795  2089.70   94.707  2056.94  122.780  2137.82  148.817  179.745   5.3789  183.143   6.3986 -3.398148 8.359097 
1 1 1   34    8    9 o  391.460   3.9752  9734.75  196.607  9512.26  263.687 10013.29  295.035  386.490   5.3725  396.429   5.8604 -9.938934 7.950357 
1 1 1   34    8   10 o   39.782   10.940   63.300   81.077  100.668  107.408   13.807  123.613   42.746   15.436   36.819   15.507 5.927212 21.88020 
1 1 1   34    8   11 o  154.458   5.2094  1519.45  101.371  1487.02  134.487  1562.12  154.259  152.609   6.9394  156.306   7.7714 -3.696381 10.41872 
1 1 1   34    8   12 o  359.469   5.6419  8237.82  257.553  8237.82  257.553   0.0000   0.0000  359.469   5.6419  ?   ?       ?      ? 
1 1 1   34    8   13 o  200.323   6.7248  2563.59  171.076   0.0000   0.0000  2563.59  171.076  ?   ?   200.323   6.7248      ?      ? 
1 1 1   34    8   14 o  214.676   4.0242  2968.69  108.073  3132.60  143.515  2753.99  164.250  221.688   5.0977  207.663   6.2283 14.02490 8.048496 
1 1 1   34    8   15 o  103.040   6.4960  683.819   82.950  683.556  106.333  684.228  132.582  103.176   8.1154  102.904   10.146 0.2717743 12.99199 
1 1 1   34    8   16 o   44.248   11.525  103.125   80.203   90.277   96.440  131.941  144.428   40.159   14.607   48.338   17.831 -8.179474 23.05026 
1 1 1   34    8   17 o  198.600   4.2455  2505.65  103.869  2442.29  131.028  2612.81  170.394  195.448   5.2790  201.751   6.6506 -6.302963 8.491090 
1 1 1   34    8   18 o  144.248   5.1270  1350.67   90.229  1372.71  113.478  1312.78  148.783  146.191   6.1124  142.304   8.2330 3.886887 10.25395 
1 1 1   34    8   20 o  130.306   10.789  1203.46  177.361  1316.33  247.275  1083.86  254.534  137.537   14.157  123.074   16.285 14.46280 21.57890 
1 1 1   34    8   21 o   49.563   13.211  168.468  116.098  224.918  160.079  105.827  168.628   54.188   18.914   44.938   18.448 9.249550 26.42127 
1 1 1   34    8   22 o   74.113   18.129  445.360  169.224   0.0000   0.0000  445.360  169.224  ?   ?    74.113   18.129      ?      ? 
1 1 1   34   10    0 o  159.815   4.7772  1636.17   96.358  1727.94  131.622  1530.20  141.449  164.707   6.2927  154.923   7.1896 9.784103 9.554495 
1 1 1   34   10    1 o  241.595   3.9454  3718.67  119.259  3734.14  156.012  3696.92  184.978  242.253   5.0712  240.937   6.0456 1.315857 7.890892 
1 1 1   34   10    2 o  107.380   6.3967  754.235   85.193  866.003  115.039  618.496  126.777  116.490   7.7764   98.270   10.159 18.21913 12.79346 
1 1 1   34   10    3 o   37.700   10.581   46.492   77.575   87.285   99.985 -15.2030  122.961   40.656   14.860   34.745   15.066 5.910908 21.16147 
1 1 1   34   10    4 f  316.055   3.9617  6375.53  156.833  6451.42  206.160  6271.28  241.632  318.371   5.0991  313.739   6.0647 4.631683 7.923446 
1 1 1   34   10    5 o   86.940   7.7860  477.760   85.166  429.458  111.553  545.253  131.865   81.782   10.741   92.098   11.275 -10.31597 15.57203 
1 1 1   34   10    6 o  134.836   5.6152  1161.79   93.721  1161.33  119.855  1162.51  150.355  134.899   6.9963  134.772   8.7849 0.1266479 11.23048 
1 1 1   34   10    7 o  115.975   6.1750  852.001   89.803  806.983  116.799  917.097  140.450  112.325   8.1881  119.624   9.2453 -7.299294 12.34994 
1 1 1   34   10    8 o   54.424   11.849  197.208   91.923  240.997  119.894  134.756  143.183   59.692   15.631   49.157   17.811 10.53445 23.69764 
1 1 1   34   10   10 o  201.083   4.6906  2581.55  116.421  2579.47  148.158  2584.89  188.234  201.112   5.8011  201.053   7.3724 0.5938721E-01 9.381109 
1 1 1   34   10   11 o   56.284   11.557  215.782   85.731  230.715  105.847  187.302  146.174   58.322   14.382   54.246   18.096 4.075771 23.11481 
1 1 1   34   10   12 o  125.352   6.2536  1014.83   94.016  1025.85  115.748  993.457  161.178  126.607   7.1991  124.096   10.227 2.510376 12.50712 
1 1 1   34   10   13 o  176.227   4.7775  1929.50  100.637  1823.89  121.620  2158.82  179.223  169.010   5.6665  183.444   7.6933 -14.43419 9.554905 
1 1 1   34   10   14 o  170.780   4.8670  1857.30   99.817  1832.19  122.283  1907.45  172.796  169.318   5.6870  172.243   7.8998 -2.925751 9.733908 
1 1 1   34   10   15 o  104.772   7.0737  696.955   87.223  669.948  104.352  759.567  158.888  101.919   8.0625  107.625   11.625 -5.706329 14.14742 
1 1 1   34   10   16 o  175.322   4.7276  1942.09   98.349  1880.56  118.622  2077.39  175.902  171.343   5.4516  179.301   7.7252 -7.957428 9.455108 
1 1 1   34   10   17 o   92.171   11.556  805.040  106.824  988.624  123.670  265.522  212.007  123.378   7.8931   60.963   21.723 62.41467 23.11287 
1 1 1   34   10   18 o  380.832   9.3816  9569.01  453.719   0.0000   0.0000  9569.01  453.719  ?   ?   380.832   9.3816      ?      ? 
1 1 1   34   12    0 o  121.228   6.3361  938.995   85.215  936.671   98.831  945.727  168.237  121.188   6.4218  121.267   10.924 -0.7901764E-01 12.67216 
1 1 1   34   12    1 o  206.485   4.7958  2630.64  101.688  2570.18  113.518  2876.24  228.785  200.973   4.4478  211.997   8.4981 -11.02345 9.591681 
1 1 1   34   12    2 o   74.246   11.214  391.234   84.292  408.733   93.903  318.639  191.267   79.849   9.2604   68.643   20.427 11.20600 22.42841 
1 1 1   34   12    3 o  123.312   6.6967  803.168   90.302  663.029  101.226  1349.32  199.835  101.828   7.8279  144.796   10.868 -42.96791 13.39336 
1 1 1   34   12    4 o  153.414   6.6692  1397.70  102.038  1334.16  112.316  1698.02  244.163  144.635   6.1149  162.192   11.854 -17.55670 13.33846 
1 1 1   34   12    5 o  306.965   7.9642  6030.52  310.462   0.0000   0.0000  6030.52  310.462  ?   ?   306.965   7.9642      ?      ? 
1 1 1   34   12    6 o  535.855   5.5600 18004.95  320.012 17686.03  364.070 19088.58  671.099  526.749   5.4426  544.961   9.6971 -18.21173 11.12007 
1 1 1   34   12    7 o  170.960   5.4268  1960.79   94.506  2027.66  106.785  1719.15  202.988  178.431   4.7126  163.488   9.7770 14.94318 10.85352 
1 1 1   34   12    8 o  144.626   5.3425  1308.58   81.998  1284.26   92.795  1395.21  175.153  141.947   5.1478  147.305   9.3631 -5.358780 10.68496 
1 1 1   34   12    9 o   35.871   10.954   13.986   73.377   21.924   80.825 -23.2230  174.998   31.024   12.758   40.717   17.809 -9.693325 21.90743 
1 1 1   34   12   10 o  157.221   5.1972  1479.61   81.616  1419.51   89.963  1759.14  194.014  149.225   4.7473  165.216   9.2470 -15.99112 10.39443 
1 1 1   34   12   11 o   91.036   9.5456  645.426   72.204  688.866   79.118  428.974  176.608  103.791   6.0026   78.282   18.123 25.50924 19.09118 
1 1 1   34   12   12 o  313.671   4.3124  6328.23  140.790  6349.45  158.974  6251.10  303.150  315.657   3.9658  311.684   7.6589 3.972992 8.624745 
1 1 1   34   12   13 o  179.698   4.6415  2099.66   82.002  2114.98   90.983  2033.34  189.286  182.128   3.9337  177.268   8.4083 4.859192 9.282999 
1 1 1   34   12   14 o  129.143   6.4314  1166.81   78.852  1213.78   87.553  965.119  181.434  137.703   5.0067  120.582   11.848 17.12124 12.86276 
1 1 1   34   12   15 o   66.430   9.7469  290.585   82.226  290.585   82.226   0.0000   0.0000   66.430   9.7469  ?   ?       ?      ? 
1 1 1   34   14    0 o  252.852   4.5288  4007.46  127.992  3926.68  148.384  4242.29  252.985  248.296   4.7059  257.407   7.7392 -9.111343 9.057619 
1 1 1   34   14    1 o   73.854   10.933  341.599   90.528  305.561  105.592  441.568  175.865   67.543   12.778   80.165   17.744 -12.62215 21.86641 
1 1 1   34   14    2 o  156.076   5.4608  1524.27   94.872  1486.80  109.648  1635.88  189.233  152.663   5.6557  159.489   9.3430 -6.826385 10.92153 
1 1 1   34   14    3 o  206.975   4.7714  2714.18  110.997  2685.94  129.393  2792.85  215.979  205.285   4.9634  208.666   8.1505 -3.381058 9.542789 
1 1 1   34   14    4 f  155.975   5.6958  1620.98   96.501  1682.67  111.988  1443.06  190.183  162.403   5.4300  149.547   10.014 12.85588 11.39165 
1 1 1   34   14    5 o  173.524   5.1627  1908.55   97.601  1888.89  111.963  1970.79  199.187  172.086   5.1233  174.963   8.9647 -2.877029 10.32546 
1 1 1   34   14    6 o  119.912   6.4232  892.025   82.222  863.626   93.034  993.344  175.727  116.192   6.3051  123.632   11.193 -7.439857 12.84633 
1 1 1   34   14    7 o  158.768   5.6124  1625.34   93.873  1628.84  106.488  1613.12  198.841  159.717   5.2501  157.818   9.9214 1.899750 11.22489 
1 1 1   34   14    8 o  142.580   5.8440  1249.32   85.344  1208.85   95.042  1417.84  193.938  137.516   5.4423  147.644   10.344 -10.12790 11.68792 
1 1 1   34   14    9 o  157.866   5.7733  1631.33   99.031  1652.75  114.199  1566.39  198.857  160.689   5.5963  155.042   10.100 5.646729 11.54660 
1 1 1   34   14   10 o  102.985   7.2395  683.855   94.680  683.855   94.680   0.0000   0.0000  102.985   7.2395  ?   ?       ?      ? 
1 1 1   34   14   11 o   93.898   8.2595  572.915   98.489  572.915   98.489   0.0000   0.0000   93.898   8.2595  ?   ?       ?      ? 
1 1 1   34   14   12 o   47.046   13.978  154.819   89.606  154.819   89.606   0.0000   0.0000   47.046   13.978  ?   ?       ?      ? 
1 1 1   34   16    0 o  202.286   5.1942  2526.64  118.188  2413.58  136.819  2859.04  234.602  194.267   5.5459  210.304   8.7843 -16.03723 10.38845 
1 1 1   34   16    1 o  117.073   7.6467  972.270   97.107  1067.01  114.902  735.467  181.654  128.861   7.0215  105.285   13.586 23.57589 15.29343 
1 1 1   34   16    2 o  177.150   5.5869  1970.03  120.901  1836.97  149.478  2221.74  205.595  169.044   6.9630  185.256   8.7390 -16.21146 11.17382 
1 1 1   34   16    3 o  114.426   7.9432  881.315  107.087  923.293  131.262  797.771  185.178  119.374   8.6587  109.479   13.319 9.895782 15.88640 
1 1 1   34   16    4 o  205.670   5.9948  2714.16  156.576  2714.16  156.576   0.0000   0.0000  205.670   5.9948  ?   ?       ?      ? 
1 1 1   34   16    5 o  149.311   7.1141  1438.38  134.892  1438.38  134.892   0.0000   0.0000  149.311   7.1141  ?   ?       ?      ? 
1 1 1   34   16    6 o   41.958   16.097   93.718  120.291   93.718  120.291   0.0000   0.0000   41.958   16.097  ?   ?       ?      ? 
1 1 1   34   16    7 o  137.314   7.4586  1223.05  130.062  1223.05  130.062   0.0000   0.0000  137.314   7.4586  ?   ?       ?      ? 
1 1 1   34   16    8 o   95.284   10.502  603.764  127.076  603.764  127.076   0.0000   0.0000   95.284   10.502  ?   ?       ?      ? 
1 1 1   34   16   10 o   59.531   13.796  256.159  102.258  256.159  102.258   0.0000   0.0000   59.531   13.796  ?   ?       ?      ? 
1 1 1   34   18    0 o   59.959   17.663  269.802  143.584  269.802  143.584   0.0000   0.0000   59.959   17.663  ?   ?       ?      ? 
1 1 1   34   18    1 o  ?   ?  -655.8292  139.331 -655.8292  139.331   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   34   18    2 o   24.363   12.071 -293.0170  140.275 -293.0170  140.275   0.0000   0.0000   24.363   12.071  ?   ?       ?      ? 
1 1 1   34   18    3 o   48.283   17.789  159.321  143.688  159.321  143.688   0.0000   0.0000   48.283   17.789  ?   ?       ?      ? 
1 1 1   34   18    4 o  107.637   9.7848  775.979  133.750  775.979  133.750   0.0000   0.0000  107.637   9.7848  ?   ?       ?      ? 
1 1 1   34   18    5 o  140.106   7.6243  1290.83  135.655  1290.83  135.655   0.0000   0.0000  140.106   7.6243  ?   ?       ?      ? 
1 1 1   34   18    6 o  156.027   6.9068  1594.50  136.852  1594.50  136.852   0.0000   0.0000  156.027   6.9068  ?   ?       ?      ? 
1 1 1   34   18    7 o   82.591   10.865  469.727  113.954  469.727  113.954   0.0000   0.0000   82.591   10.865  ?   ?       ?      ? 
1 1 1   35    1    0 o  357.056   3.7552  8105.10  170.269  8137.60  240.363  8072.37  241.233  357.777   5.2903  356.336   5.3309 1.440338 7.510343 
1 1 1   35    1    1 o  280.737   3.5202  5009.55  125.412  5000.00  174.078  5019.86  180.834  280.464   4.8875  281.009   5.0674 -0.5451660 7.040308 
1 1 1   35    1    2 o  368.948   3.7248  8648.32  174.401  8498.32  241.436  8811.98  252.195  365.611   5.2000  372.285   5.3344 -6.673706 7.449551 
1 1 1   35    1    3 f  149.064   4.1442  1412.47   78.402  1392.32  108.718  1434.31  113.172  147.960   5.7860  150.168   5.9345 -2.208557 8.288307 
1 1 1   35    1    4 o  448.091   4.1057 12769.24  233.613 13002.01  332.381 12542.00  328.411  452.129   5.7889  444.054   5.8238 8.074738 8.211447 
1 1 1   35    1    5 o   42.385   10.317  101.573   67.333   77.816   90.046  131.705  101.411   38.653   14.106   46.118   15.058 -7.465237 20.63303 
1 1 1   35    1    6 o  216.035   4.4070  2877.00  109.200  2761.26  128.004  3186.43  209.294  208.398   4.8367  223.672   7.3683 -15.27463 8.813961 
1 1 1   35    1    7 o  104.167   5.2951  691.167   69.925  747.311  100.040  637.532   97.778  108.312   7.2731  100.022   7.6978 8.290627 10.59030 
1 1 1   35    1    8 o  167.146   3.7737  1776.95   80.087  1792.68  114.500  1761.89  112.060  167.868   5.3711  166.424   5.3022 1.444031 7.547301 
1 1 1   35    1    9 o  187.162   3.6353  2228.40   86.392  2228.72  123.260  2228.08  121.122  187.173   5.1856  187.152   5.0962 0.2084351E-01 7.270653 
1 1 1   35    1   10 o  198.943   3.5850  2513.23   90.470  2419.77  124.367  2618.28  131.850  195.026   5.0215  202.860   5.1180 -7.834427 7.170081 
1 1 1   35    1   11 o  351.071   3.5909  7830.31  159.864  7618.03  219.205  8071.48  233.650  346.010   4.9887  356.132   5.1663 -10.12173 7.181719 
1 1 1   35    1   12 o  377.542   3.7486  9072.33  179.675  8979.55  250.539  9170.57  257.813  375.564   5.2531  379.520   5.3493 -3.955414 7.497292 
1 1 1   35    1   13 o  187.756   3.8616  2247.57   91.945  2293.50  127.514  2197.83  132.699  189.774   5.2911  185.738   5.6259 4.036194 7.723108 
1 1 1   35    1   14 o  128.487   5.4179  1054.83   88.384  1031.84  123.453  1079.00  126.593  127.052   7.6514  129.921   7.6728 -2.868439 10.83586 
1 1 1   35    1   15 o  166.981   4.9496  1781.54  104.945  1778.41  149.583  1784.57  147.273  166.828   7.0605  167.135   6.9387 -0.3066406 9.899289 
1 1 1   35    1   16 o  126.706   5.1617  1022.36   82.870  1113.94  121.760  943.336  113.108  131.973   7.2651  121.439   7.3343 10.53397 10.32341 
1 1 1   35    1   17 o  275.779   3.5835  4836.49  125.345  4583.66  172.272  5120.91  182.718  268.141   5.0591  283.416   5.0767 -15.27512 7.167079 
1 1 1   35    1   18 o  166.601   4.4143  1775.74   93.333  1856.46  132.391  1695.98  131.598  170.390   6.1184  162.812   6.3648 7.578018 8.828640 
1 1 1   35    1   19 o   46.176   11.206  133.817   79.555  117.492  112.149  150.353  112.869   44.326   15.799   48.026   15.896 -3.699917 22.41168 
1 1 1   35    1   20 o  127.767   5.2682  1053.36   85.470  1033.38  120.095  1073.87  121.667  126.533   7.4739  129.001   7.4268 -2.468018 10.53643 
1 1 1   35    1   21 o   97.797   6.7941  632.069   83.661  721.352  118.040  541.951  118.590  105.028   8.8501   90.567   10.311 14.46089 13.58830 
1 1 1   35    1   22 o   23.325   8.1952 -296.9241   92.588 -228.8765  134.914 -357.5036  127.295   25.490   12.471   21.160   10.635 4.329416 16.39036 
1 1 1   35    1   23 o  183.371   4.2660  2186.86   99.100  2278.86  137.484  2087.38  142.973  187.561   5.7721  179.181   6.2833 8.380371 8.532074 
1 1 1   35    1   24 o  121.896   5.9679  998.044   91.754  1033.48  124.339  955.673  135.957  124.701   7.8517  119.092   8.9896 5.608894 11.93572 
1 1 1   35    3    0 o  274.781   3.6040  4801.23  125.644  4828.84  174.207  4771.29  181.385  275.612   4.9772  273.949   5.2138 1.662720 7.208097 
1 1 1   35    3    1 o  214.972   4.2895  2939.81  112.300  2940.65  140.209  2938.33  187.562  215.068   5.1336  214.876   6.8735 0.1916046 8.579016 
1 1 1   35    3    2 o  355.543   3.7440  8032.57  168.924  7911.46  233.781  8164.90  244.360  352.747   5.2188  358.338   5.3698 -5.591400 7.488015 
1 1 1   35    3    3 o  195.405   3.7286  2437.14   92.150  2570.43  127.108  2289.47  133.789  201.073   4.9779  189.737   5.5525 11.33598 7.457195 
1 1 1   35    3    4 o  371.557   3.7633  8781.63  177.445  8847.17  246.868  8711.58  255.231  373.003   5.2116  370.111   5.4303 2.892456 7.526585 
1 1 1   35    3    5 o  463.436   4.2030 13663.42  247.319 13611.09  346.344 13717.87  353.282  462.538   5.8963  464.334   5.9912 -1.796082 8.406016 
1 1 1   35    3    6 o  171.423   3.8300  1876.04   82.935  1947.57  112.964  1792.41  122.149  174.999   5.0831  167.848   5.7305 7.150925 7.660086 
1 1 1   35    3    7 o  319.756   3.5366  6464.48  142.873  6150.66  190.880  6864.28  215.449  311.000   4.8331  328.512   5.1643 -17.51178 7.073104 
1 1 1   35    3    8 o  208.772   4.7358  2770.93  110.344  2765.32  128.358  2786.83  215.996  208.520   4.8473  209.023   8.1372 -0.5031586 9.471500 
1 1 1   35    3    9 o   96.693   5.6583  595.313   69.407  561.521   95.885  632.507  100.596   93.813   8.0484   99.572   7.9554 -5.758881 11.31660 
1 1 1   35    3   10 o  327.604   3.5247  6828.02  146.618  6800.60  205.508  6856.45  209.242  326.939   4.9498  328.269   5.0193 -1.330261 7.049335 
1 1 1   35    3   11 o  170.535   3.9117  1835.52   84.342  1654.13  113.358  2060.46  126.233  161.179   5.5382  179.891   5.5257 -18.71164 7.823322 
1 1 1   35    3   12 o  258.208   3.4809  4246.63  114.060  4373.15  160.073  4116.13  162.567  262.132   4.8086  254.284   5.0343 7.848022 6.961817 
1 1 1   35    3   13 o   77.846   7.9841  407.706   74.168  501.362  101.870  302.060  108.195   88.460   9.0682   67.231   13.143 21.22878 15.96815 
1 1 1   35    3   14 o  136.014   5.4837  1190.18   94.124  1089.84  136.984  1279.91  129.549  130.486   8.2667  141.543   7.2072 -11.05742 10.96731 
1 1 1   35    3   15 o  111.925   6.4733  807.607   91.589  877.385  127.867  734.084  131.253  116.982   8.6072  106.868   9.6712 10.11383 12.94667 
1 1 1   35    3   16 o  351.973   3.7408  7898.28  167.182  7918.22  234.631  7877.72  238.272  352.437   5.2423  351.509   5.3378 0.9278259 7.481573 
1 1 1   35    3   17 o  178.529   4.0642  2031.18   92.009  1884.06  127.373  2191.71  133.054  171.766   5.8393  185.292   5.6545 -13.52637 8.128424 
1 1 1   35    3   18 o   83.595   7.7723  451.865   82.237  406.345  111.930  505.262  121.228   79.016   11.155   88.173   10.827 -9.156425 15.54467 
1 1 1   35    3   19 o  214.265   3.8449  2926.45  104.392  2785.04  142.029  3092.61  153.956  208.677   5.3595  219.852   5.5143 -11.17505 7.689705 
1 1 1   35    3   20 o  134.584   4.9828  1172.64   84.844  1257.05  118.248  1083.07  121.806  139.705   6.6651  129.462   7.4088 10.24280 9.965589 
1 1 1   35    3   21 o  ?   ?  -558.8234   88.840 -499.7270  118.691 -634.1122  133.969  ?   ?   ?   ?       ?      ? 
1 1 1   35    3   22 o  281.544   3.7657  5107.58  134.612  5223.37  190.350  4991.73  190.390  284.784   5.2633  278.305   5.3870 6.479675 7.531402 
1 1 1   35    3   23 o  120.805   5.9341  976.083   90.262  1054.14  123.616  886.935  132.106  126.436   7.6989  115.174   9.0321 11.26120 11.86811 
1 1 1   35    3   24 o   41.252   12.140   32.972  121.079  212.740  165.027 -176.6259  178.194   51.197   19.025   31.306   15.084 19.89161 24.27943 
1 1 1   35    5    0 o  406.275   4.0167 10505.55  207.049 10711.07  288.514 10287.32  297.306  410.391   5.5359  402.158   5.8214 8.233398 8.033405 
1 1 1   35    5    1 o  340.921   3.7359  7403.50  161.433  7658.62  224.034  7127.97  232.820  347.059   5.0831  334.783   5.4762 12.27628 7.471749 
1 1 1   35    5    2 o  196.371   3.9083  2461.63   95.826  2503.86  125.191  2401.88  148.911  198.444   4.9677  194.298   6.0350 4.145752 7.816642 
1 1 1   35    5    3 o  218.204   3.6777  3012.17  101.268  2896.49  134.767  3162.22  153.481  213.431   4.9722  222.977   5.4202 -9.546127 7.355369 
1 1 1   35    5    4 o   38.204   10.246   43.257   71.585 -17.2756   93.619  128.469  111.077   30.021   13.081   46.388   15.773 -16.36710 20.49175 
1 1 1   35    5    5 o  251.605   3.5783  4030.47  113.771  4071.29  153.892  3981.26  168.954  253.033   4.7892  250.178   5.3179 2.855377 7.156590 
1 1 1   35    5    6 o  241.784   3.5588  3716.90  109.100  3694.63  149.947  3741.95  159.036  241.026   4.8989  242.543   5.1633 -1.516891 7.117504 
1 1 1   35    5    7 o  263.706   3.5072  4407.86  117.077  4242.00  158.237  4608.48  174.032  258.257   4.8248  269.156   5.0915 -10.89969 7.014429 
1 1 1   35    5    8 o  394.641   3.8656  9906.52  193.496  9810.61  266.620 10013.24  281.257  392.643   5.3471  396.638   5.5838 -3.994904 7.731119 
1 1 1   35    5    9 o  130.255   4.7406  1084.85   77.684  1108.91  103.704  1054.10  117.266  131.941   6.1893  128.568   7.1823 3.373184 9.481149 
1 1 1   35    5   10 o  212.682   3.7070  2873.97   99.447  2833.71  132.699  2925.54  150.198  211.016   4.9519  214.349   5.5178 -3.333435 7.414032 
1 1 1   35    5   11 o  515.084   4.5545 16917.65  297.909 17029.58  420.729 16805.11  421.886  516.803   6.4106  513.365   6.4713 3.437622 9.108981 
1 1 1   35    5   12 o  246.494   3.6297  3873.87  113.481  4037.56  159.096  3704.33  161.913  251.822   4.9749  241.165   5.2868 10.65779 7.259480 
1 1 1   35    5   13 o  154.872   6.6974  1531.02  131.722  1531.02  131.722   0.0000   0.0000  154.872   6.6974  ?   ?       ?      ? 
1 1 1   35    5   14 o  273.097   3.7628  4757.88  130.305  4854.41  180.570  4652.98  188.228  276.022   5.1514  270.172   5.4861 5.850098 7.525582 
1 1 1   35    5   15 o  260.287   3.6570  4317.34  120.615  4306.18  165.090  4330.13  176.645  259.958   5.0008  260.616   5.3373 -0.6578674 7.314031 
1 1 1   35    5   16 o   46.427   10.676  132.200   80.914  214.197  104.147   7.3453  128.515   56.089   14.511   36.764   15.662 19.32556 21.35133 
1 1 1   35    5   17 o  185.919   4.1888  2186.90   97.417  2085.20  126.020  2337.91  153.566  180.691   5.4919  191.146   6.3263 -10.45464 8.377556 
1 1 1   35    5   18 o  116.576   6.0234  875.828   88.401  863.101  117.192  892.631  134.655  115.717   7.9748  117.434   9.0293 -1.716629 12.04680 
1 1 1   35    5   19 o   56.949   10.187  240.873   78.773  310.163   98.324  116.695  131.628   68.591   11.288   45.307   16.961 23.28439 20.37362 
1 1 1   35    5   21 o  169.692   5.2232  1891.86  111.258  2188.62  156.156  1585.90  158.557  183.709   6.6935  155.674   8.0203 28.03474 10.44642 
1 1 1   35    5   22 o  128.808   6.7217  1163.09   97.510  1241.18  116.727  982.732  177.392  137.993   6.6610  119.624   11.677 18.36890 13.44340 
1 1 1   35    5   23 o  147.762   7.3793  1500.64  138.064  1379.91  195.455  1620.88  195.050  141.329   10.890  154.195   9.9609 -12.86638 14.75864 
1 1 1   35    7    0 o  201.709   4.0435  2601.62  102.864  2722.29  139.596  2458.25  152.159  206.880   5.3134  196.537   6.0964 10.34230 8.086951 
1 1 1   35    7    1 o  115.046   5.8053  863.019   82.678  958.512  109.538  736.592  126.038  122.674   7.0313  107.418   9.2394 15.25541 11.61064 
1 1 1   35    7    2 o  366.325   5.6726  8538.58  263.890   0.0000   0.0000  8538.58  263.890  ?   ?   366.325   5.6726      ?      ? 
1 1 1   35    7    3 o  115.402   5.6205  851.935   81.713  872.618  109.655  826.107  122.535  117.016   7.3792  113.788   8.4798 3.227608 11.24093 
1 1 1   35    7    4 o  320.909   5.4726  6552.76  223.024   0.0000   0.0000  6552.76  223.024  ?   ?   320.909   5.4726      ?      ? 
1 1 1   35    7    5 o  115.842   5.4571  857.078   78.275  861.524  100.286  850.147  125.211  116.284   6.7912  115.399   8.5440 0.8846741 10.91420 
1 1 1   35    7    6 o  229.519   3.7210  3352.36  107.520  3353.47  142.985  3350.93  163.106  229.595   4.9040  229.443   5.5978 0.1524353 7.442075 
1 1 1   35    7    7 o  214.461   3.8418  2913.74  103.378  2840.91  135.317  3015.82  160.212  211.295   5.0429  217.627   5.7970 -6.332306 7.683541 
1 1 1   35    7    8 o  210.521   3.8550  2823.16  101.889  2831.05  134.449  2812.52  156.161  210.911   5.0198  210.132   5.8520 0.7784119 7.709960 
1 1 1   35    7    9 o  232.680   3.8630  3476.03  112.846  3671.34  151.334  3231.42  169.361  240.163   4.9620  225.198   5.9220 14.96484 7.726037 
1 1 1   35    7   10 o  420.002   4.0744 11243.28  217.163 11307.92  301.991 11174.06  312.510  421.283   5.6447  418.721   5.8771 2.561096 8.148797 
1 1 1   35    7   11 o   20.967   7.4438 -361.2561   87.066 -326.3661  118.352 -402.4113  128.539   21.042   10.530   20.892   10.525 0.1495667 14.88758 
1 1 1   35    7   12 o  485.989   9.4506 15164.86  583.261   0.0000   0.0000 15164.86  583.261  ?   ?   485.989   9.4506      ?      ? 
1 1 1   35    7   13 o  148.690   5.0324  1451.24   91.805  1597.20  119.427  1240.40  143.536  158.227   5.9435  139.153   8.1225 19.07346 10.06483 
1 1 1   35    7   14 o   99.096   7.0765  660.496   84.850  763.586  110.688  513.597  132.130  109.149   7.9856   89.043   11.685 20.10565 14.15292 
1 1 1   35    7   15 o  112.375   6.0925  810.479   85.516  803.709  111.129  820.308  133.907  111.925   7.8185  112.825   9.3458 -0.9007645 12.18495 
1 1 1   35    7   16 o  293.418   3.7495  5492.28  139.298  5432.36  189.355  5562.96  205.647  291.734   5.1111  295.102   5.4875 -3.368652 7.499017 
1 1 1   35    7   17 o  185.555   4.2710  2211.27   99.198  2239.00  130.232  2172.94  153.099  187.090   5.4814  184.020   6.5513 3.070175 8.541994 
1 1 1   35    7   18 o  171.448   4.5903  1886.49   97.500  1871.68  124.671  1909.82  156.447  170.821   5.7471  172.075   7.1594 -1.253723 9.180696 
1 1 1   35    7   19 o   52.867   10.816  190.116   92.322  336.367  123.464   4.6121  139.048   68.910   14.564   36.824   15.994 32.08621 21.63169 
1 1 1   35    7   20 o  107.394   10.616  854.744  121.116  906.237  143.306  726.013  226.586  116.890   9.6540   97.897   18.910 18.99370 21.23210 
1 1 1   35    7   21 o  149.290   7.4776  1502.20  141.334  1354.19  193.191  1672.63  207.308  141.241   10.771  157.339   10.375 -16.09721 14.95521 
1 1 1   35    7   22 o   88.954   11.106  598.866  122.419  625.889  170.370  570.022  176.021   92.397   14.520   85.511   16.809 6.885971 22.21142 
1 1 1   35    9    0 o   32.263   10.032 -30.2363   79.974   7.4558  102.383 -89.2276  128.085   33.369   14.087   31.157   14.286 2.211758 20.06304 
1 1 1   35    9    1 o  409.740   4.1991 10688.63  217.152 10682.55  291.379 10696.21  325.676  409.671   5.6007  409.809   6.2579 -0.1382751 8.398153 
1 1 1   35    9    2 f  405.065   4.1642 10467.29  213.034 10650.73  288.067 10245.86  316.486  409.053   5.5454  401.077   6.2137 7.976318 8.328381 
1 1 1   35    9    3 o  172.458   4.5595  1914.48   98.418  2032.18  131.135  1762.69  148.923  178.649   5.7802  166.268   7.0530 12.38022 9.118957 
1 1 1   35    9    4 f  104.224   7.7768  693.419  102.931  693.419  102.931   0.0000   0.0000  104.224   7.7768  ?   ?       ?      ? 
1 1 1   35    9    5 o   40.882   9.8773   59.021   79.733  192.254  101.643 -154.1296  128.562   53.611   14.555   28.152   13.356 25.45904 19.75458 
1 1 1   35    9    6 o  147.583   4.8518  1371.22   90.101  1262.31  118.113  1522.81  139.350  140.691   6.6108  154.475   7.1035 -13.78436 9.703694 
1 1 1   35    9    7 o  185.071   4.4262  2204.37  101.874  2295.03  132.936  2075.35  158.576  189.811   5.5150  180.331   6.9245 9.479782 8.852313 
1 1 1   35    9    8 o  240.027   4.1342  3685.91  125.198  3808.84  169.408  3537.95  185.845  244.513   5.4558  235.541   6.2131 8.971329 8.268473 
1 1 1   35    9    9 f  114.051   7.0628  839.537  101.296  867.062  135.516  804.684  152.489  116.282   9.1770  111.819   10.739 4.462936 14.12564 
1 1 1   35    9   10 o  209.335   7.4715  2802.41  198.621   0.0000   0.0000  2802.41  198.621  ?   ?   209.335   7.4715      ?      ? 
1 1 1   35    9   11 o  153.160   5.1672  1518.32   95.837  1563.42  119.818  1438.23  159.678  156.531   6.0276  149.788   8.3944 6.742004 10.33431 
1 1 1   35    9   12 o  172.325   4.7903  1899.43  101.836  1902.96  129.571  1893.72  164.702  172.673   5.9089  171.977   7.5414 0.6967468 9.580597 
1 1 1   35    9   13 o   46.459   11.917  123.228   86.349  132.257  103.031  101.920  158.287   45.722   15.190   47.197   18.367 -1.475716 23.83426 
1 1 1   35    9   14 o   92.414   13.808  549.851  102.602  538.444  108.333  649.191  319.696   91.318   9.3417   93.509   25.987 -2.190948 27.61512 
1 1 1   35    9   15 o   73.140   9.9726  335.964   84.379  280.856  101.117  462.332  153.121   64.258   12.840   82.021   15.262 -17.76327 19.94519 
1 1 1   35    9   16 o   45.447   11.479   61.316   81.460  -8.4858   94.692  260.028  159.770   30.278   13.175   60.615   18.800 -30.33672 22.95722 
1 1 1   35    9   17 o   44.571   11.834  114.327   89.186  114.429  113.827  114.163  143.532   43.499   15.862   45.642   17.565 -2.143093 23.66771 
1 1 1   35    9   18 o  168.086   14.762  1961.89  315.096   0.0000   0.0000  1961.89  315.096  ?   ?   168.086   14.762      ?      ? 
1 1 1   35    9   19 o   82.266   22.109  559.015  235.938   0.0000   0.0000  559.015  235.938  ?   ?    82.266   22.109      ?      ? 
1 1 1   35   11    0 o  355.091   4.3486  8061.99  192.578  8174.41  250.762  7900.37  300.677  358.251   5.5118  351.930   6.7277 6.320557 8.697248 
1 1 1   35   11    1 o  276.866   4.2144  4929.34  144.962  5116.44  188.587  4659.13  226.629  283.461   5.2389  270.271   6.6030 13.19006 8.428855 
1 1 1   35   11    2 o  299.462   4.1900  5676.97  156.277  5525.39  200.941  5908.99  248.610  294.537   5.3722  304.387   6.4315 -9.850098 8.380034 
1 1 1   35   11    3 o  196.962   4.5946  2438.07  110.860  2341.79  138.261  2611.42  185.520  191.704   5.6792  202.219   7.2242 -10.51486 9.189268 
1 1 1   35   11    5 o  154.866   6.1687  1503.11  119.453  1358.06  153.479  1725.96  190.243  145.661   8.2972  164.071   9.1306 -18.41045 12.33737 
1 1 1   35   11    7 o   51.740   12.787  162.477  102.890  186.759  129.323  120.599  169.837   53.495   16.962   49.984   19.138 3.510712 25.57315 
1 1 1   35   11    8 o  221.451   4.3910  3137.48  121.045  3167.47  156.826  3093.28  190.378  222.882   5.5407  220.021   6.8136 2.860840 8.782059 
1 1 1   35   11    9 o   52.838   12.043  157.190   92.094   90.848  115.220  274.554  153.249   42.286   15.861   63.390   18.126 -21.10396 24.08564 
1 1 1   35   11   10 o   52.842   11.427  194.043   84.187  230.029  100.692  110.458  153.458   58.175   13.832   47.508   18.192 10.66748 22.85308 
1 1 1   35   11   11 o  218.642   4.4417  3060.49  116.711  3067.21  143.629  3047.43  200.247  219.251   5.1585  218.033   7.2321 1.217712 8.883329 
1 1 1   35   11   12 o  116.271   6.8222  842.116   96.878  763.254  119.292  994.879  166.029  108.798   8.6340  123.745   10.565 -14.94730 13.64442 
1 1 1   35   11   13 o  175.853   4.7830  1921.33  100.659  1803.51  121.655  2177.08  179.239  167.864   5.7068  183.842   7.6773 -15.97820 9.566045 
1 1 1   35   11   14 o  130.294   5.9328  1095.33   91.418  1086.76  110.598  1113.82  162.431  129.971   6.7007  130.616   9.7925 -0.6454926 11.86562 
1 1 1   35   11   15 o  144.120   6.5800  1389.88  117.271  1674.41  161.825  1075.20  170.183  160.596   7.9347  127.644   10.499 32.95240 13.15991 
1 1 1   35   11   16 o   25.398   12.678 -401.1862  166.760 -401.1862  166.760   0.0000   0.0000   25.398   12.678  ?   ?       ?      ? 
1 1 1   35   13    0 o   32.566   10.633 -172.6771   94.654 -254.2582  113.128   17.737  172.832   22.090   10.926   43.042   18.244 -20.95237 21.26504 
1 1 1   35   13    1 o   28.079   9.5747 -170.6016   88.089 -170.7063  103.929 -170.3344  165.999   23.334   11.310   32.823   15.453 -9.489647 19.14947 
1 1 1   35   13    2 o  105.248   8.6305  789.216   93.422  853.545  107.566  591.722  188.472  115.521   7.3322   94.976   15.626 20.54577 17.26108 
1 1 1   35   13    3 o   48.952   11.277   65.302   81.397 -18.9611   93.924  319.493  163.131   29.739   13.026   68.165   18.411 -38.42686 22.55355 
1 1 1   35   13    4 o  129.605   5.9759  974.764   88.201  861.998  101.653  1318.26  177.417  116.113   6.8939  143.096   9.7631 -26.98393 11.95171 
1 1 1   35   13    5 o  146.915   5.6668  1327.41   89.043  1281.60  100.745  1490.97  190.355  141.728   5.5974  152.101   9.8550 -10.37292 11.33366 
1 1 1   35   13    6 o  171.035   5.4800  1907.49   96.090  1930.35  108.165  1821.88  209.284  174.014   4.8947  168.055   9.8063 5.958679 10.96001 
1 1 1   35   13    7 o  149.731   5.6321  1332.57   88.449  1256.94   98.844  1636.51  198.142  140.305   5.5476  159.157   9.8033 -18.85240 11.26411 
1 1 1   35   13    8 o  113.061   7.0790  807.353   81.610  793.735   91.086  862.782  183.763  111.349   6.4415  114.773   12.608 -3.424088 14.15809 
1 1 1   35   13    9 o  216.823   4.7529  3025.85  104.363  3032.98  116.699  2997.38  233.226  218.122   4.2130  215.524   8.5213 2.598068 9.505842 
1 1 1   35   13   10 o  101.220   7.5100  698.542   83.729  732.925   98.282  607.545  159.888  106.721   7.2518   95.719   13.153 11.00175 15.02004 
1 1 1   35   13   11 o   55.251   12.422  210.043   85.039  210.043   85.039   0.0000   0.0000   55.251   12.422  ?   ?       ?      ? 
1 1 1   35   13   12 o   72.078   9.6213  340.540   88.067  340.540   88.067   0.0000   0.0000   72.078   9.6213  ?   ?       ?      ? 
1 1 1   35   13   13 o   20.145   9.9080 -174.4358   88.669 -174.4358   88.669   0.0000   0.0000   20.145   9.9080  ?   ?       ?      ? 
1 1 1   35   15    0 o   41.356   11.951   40.437   90.838   14.981  107.015  106.063  171.827   34.248   14.427   48.464   19.057 -14.21638 23.90161 
1 1 1   35   15    1 o  118.391   7.2221  876.037   95.722  841.271  110.676  979.242  190.690  114.439   7.6156  122.344   12.273 -7.905098 14.44422 
1 1 1   35   15    2 o  102.947   8.1700  610.119   93.633  533.525  106.415  872.750  197.050   90.850   9.2236  115.043   13.488 -24.19306 16.33991 
1 1 1   35   15    3 o   94.854   9.7513  670.916   89.727  727.369  102.684  488.621  184.522  106.339   7.6038   83.368   17.959 22.97134 19.50259 
1 1 1   35   15    4 o   65.948   12.019  296.611   96.930  276.923  118.414  336.591  168.747   63.161   14.988   68.735   18.793 -5.574032 24.03795 
1 1 1   35   15    5 o  200.171   5.6698  2565.71  144.127  2565.71  144.127   0.0000   0.0000  200.171   5.6698  ?   ?       ?      ? 
1 1 1   35   15    6 f   82.233   11.276  445.168  117.758  445.168  117.758   0.0000   0.0000   82.233   11.276  ?   ?       ?      ? 
1 1 1   35   15    7 o  142.096   6.7175  1300.69  121.218  1300.69  121.218   0.0000   0.0000  142.096   6.7175  ?   ?       ?      ? 
1 1 1   35   15    8 o  142.256   6.5538  1304.93  118.396  1304.93  118.396   0.0000   0.0000  142.256   6.5538  ?   ?       ?      ? 
1 1 1   35   15    9 o   51.230   15.840  186.505  113.511  186.505  113.511   0.0000   0.0000   51.230   15.840  ?   ?       ?      ? 
1 1 1   35   15   11 o   65.432   13.082  304.078  104.905  304.078  104.905   0.0000   0.0000   65.432   13.082  ?   ?       ?      ? 
1 1 1   35   17    2 o  ?   ?  -759.7449  132.841 -759.7449  132.841   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   35   17    3 o  259.911   5.7179  4351.02  188.728  4351.02  188.728   0.0000   0.0000  259.911   5.7179  ?   ?       ?      ? 
1 1 1   35   17    4 o   47.957   17.851  148.934  145.402  148.934  145.402   0.0000   0.0000   47.957   17.851  ?   ?       ?      ? 
1 1 1   35   17    5 o   99.990   10.518  670.193  133.559  670.193  133.559   0.0000   0.0000   99.990   10.518  ?   ?       ?      ? 
1 1 1   35   17    6 o   81.257   13.308  459.798  137.324  459.798  137.324   0.0000   0.0000   81.257   13.308  ?   ?       ?      ? 
1 1 1   35   17    7 o  102.942   9.7809  711.299  127.865  711.299  127.865   0.0000   0.0000  102.942   9.7809  ?   ?       ?      ? 
1 1 1   35   17    8 o   55.367   16.083  235.316  119.797  235.316  119.797   0.0000   0.0000   55.367   16.083  ?   ?       ?      ? 
1 1 1   35   19    0 o  106.430   11.304  786.836  152.782  786.836  152.782   0.0000   0.0000  106.430   11.304  ?   ?       ?      ? 
1 1 1   35   19    1 o   65.405   16.632  339.361  138.459  339.361  138.459   0.0000   0.0000   65.405   16.632  ?   ?       ?      ? 
1 1 1   35   19    2 f   58.394   17.274  277.674  137.073  277.674  137.073   0.0000   0.0000   58.394   17.274  ?   ?       ?      ? 
1 1 1   35   19    3 o   88.736   12.161  560.951  137.038  560.951  137.038   0.0000   0.0000   88.736   12.161  ?   ?       ?      ? 
1 1 1   36    0    0 o   37.060   12.930  129.248  103.112  129.248  103.112  129.248  103.112   37.060   18.286   37.060   18.286 -0.000000 0.000000 
1 1 1   36    0    1 o   19.148   9.2062 -53.8505   96.234 -53.8505   96.234 -53.8505   96.234   19.148   13.020   19.148   13.020 -0.000000 0.000000 
1 1 1   36    0    2 o  147.463   4.3007  1389.06  113.456  1389.06  113.456  1389.06  113.456  147.463   6.0821  147.463   6.0821 -0.000000 0.000000 
1 1 1   36    0    3 o  109.108   5.5153  768.612  106.804  768.612  106.804  768.612  106.804  109.108   7.7998  109.108   7.7998 -0.000000 0.000000 
1 1 1   36    0    4 o  123.667   7.0422  992.428  154.074  992.428  154.074  992.428  154.074  123.667   9.9592  123.667   9.9592 -0.000000 0.000000 
1 1 1   36    0    5 o  200.410   3.4529  2556.57  124.111  2556.57  124.111  2556.57  124.111  200.410   4.8831  200.410   4.8831 -0.000000 0.000000 
1 1 1   36    0    6 o  131.935   4.6580  1114.99  109.744  1114.99  109.744  1114.99  109.744  131.935   6.5875  131.935   6.5875 -0.000000 0.000000 
1 1 1   36    0    7 o  141.428   4.4055  1279.04  111.403  1279.04  111.403  1279.04  111.403  141.428   6.2303  141.428   6.2303 -0.000000 0.000000 
1 1 1   36    0    8 o  163.473   4.1511  1705.47  121.516  1705.47  121.516  1705.47  121.516  163.473   5.8706  163.473   5.8706 -0.000000 0.000000 
1 1 1   36    0    9 o  265.582   3.3660  4486.84  160.430  4486.84  160.430  4486.84  160.430  265.582   4.7602  265.582   4.7602 -0.000000 0.000000 
1 1 1   36    0   10 o  169.243   3.9405  1827.03  119.479  1827.03  119.479  1827.03  119.479  169.243   5.5728  169.243   5.5728 -0.000000 0.000000 
1 1 1   36    0   11 o   28.934   11.850   66.527  100.304   66.527  100.304   66.527  100.304   28.934   16.758   28.934   16.758 -0.000000 0.000000 
1 1 1   36    0   12 o  314.454   3.6097  6292.06  203.732  6292.06  203.732  6292.06  203.732  314.454   5.1049  314.454   5.1049 -0.000000 0.000000 
1 1 1   36    0   13 o   25.317   11.340   16.280  111.203   16.280  111.203   16.280  111.203   25.317   16.037   25.317   16.037 -0.000000 0.000000 
1 1 1   36    0   15 o   19.523   9.5498 -90.7489  114.214 -90.7489  114.214 -90.7489  114.214   19.523   13.506   19.523   13.506 -0.000000 0.000000 
1 1 1   36    0   16 o  108.660   6.0763  767.707  116.872  767.707  116.872  767.707  116.872  108.660   8.5932  108.660   8.5932 -0.000000 0.000000 
1 1 1   36    0   17 o  236.192   3.7359  3556.31  158.295  3556.31  158.295  3556.31  158.295  236.192   5.2834  236.192   5.2834 -0.000000 0.000000 
1 1 1   36    0   18 o  167.429   4.4345  1794.88  132.917  1794.88  132.917  1794.88  132.917  167.429   6.2713  167.429   6.2713 -0.000000 0.000000 
1 1 1   36    0   19 o  125.537   5.5795  1020.73  124.655  1020.73  124.655  1020.73  124.655  125.537   7.8907  125.537   7.8907 -0.000000 0.000000 
1 1 1   36    0   20 o  249.906   3.6220  3988.46  162.405  3988.46  162.405  3988.46  162.405  249.906   5.1222  249.906   5.1222 -0.000000 0.000000 
1 1 1   36    0   22 o   17.325   8.7312 -159.5199  119.864 -159.5199  119.864 -159.5199  119.864   17.325   12.348   17.325   12.348 -0.000000 0.000000 
1 1 1   36    0   23 o   55.440   13.648  275.395  122.800  275.395  122.800  275.395  122.800   55.440   19.300   55.440   19.300 -0.000000 0.000000 
1 1 1   36    2    0 o  244.863   3.7495  3817.61  116.433  3986.73  163.110  3641.91  166.257  250.411   5.1292  239.316   5.4705 11.09532 7.499032 
1 1 1   36    2    1 o  285.051   3.6445  5164.10  131.895  5074.20  183.997  5259.12  189.165  282.502   5.1288  287.600   5.1793 -5.097717 7.289008 
1 1 1   36    2    2 o  199.964   3.7696  2531.61   95.305  2431.82  127.929  2656.06  142.868  195.565   5.1511  204.363   5.5050 -8.798004 7.539136 
1 1 1   36    2    3 o  329.609   3.6428  6911.99  152.344  7007.41  211.867  6809.85  219.214  331.977   5.0255  327.241   5.2750 4.736023 7.285693 
1 1 1   36    2    4 o  312.777   3.5609  6223.45  141.368  6330.00  197.893  6112.41  202.019  315.521   4.9388  310.033   5.1311 5.487183 7.121793 
1 1 1   36    2    5 o  123.400   4.6804  977.006   71.786  1008.92   93.319  930.739  112.351  125.925   5.8356  120.876   7.3191 5.048500 9.360721 
1 1 1   36    2    6 o  188.906   3.7343  2257.70   89.339  2093.67  121.140  2453.30  132.284  181.424   5.2579  196.386   5.3042 -14.96184 7.468581 
1 1 1   36    2    7 o  235.811   3.4181  3538.10  102.295  3592.51  142.823  3480.80  146.583  237.681   4.7318  233.941   4.9340 3.740204 6.836267 
1 1 1   36    2    8 o  204.868   3.5942  2667.99   93.472  2590.99  130.048  2750.26  134.440  201.814   5.0743  207.923   5.0915 -6.108978 7.188338 
1 1 1   36    2    9 f  194.386   3.6229  2404.54   89.422  2423.63  125.748  2385.00  127.188  195.171   5.0735  193.602   5.1732 1.569565 7.245851 
1 1 1   36    2   10 o  183.686   3.6805  2147.25   85.837  2158.10  122.713  2136.86  120.113  184.136   5.2477  183.235   5.1618 0.9013062 7.360931 
1 1 1   36    2   11 o  196.531   3.6436  2458.48   90.598  2454.86  122.900  2462.80  134.077  196.394   4.9277  196.668   5.3684 -0.2742462 7.287106 
1 1 1   36    2   12 o  409.199   3.9284 10658.11  204.026 10413.65  282.804 10923.43  294.631  404.322   5.5078  414.077   5.6030 -9.754944 7.856829 
1 1 1   36    2   13 f   30.668   9.5225 -64.5386   77.259   39.704  109.606 -167.4753  108.917   36.989   14.991   24.347   11.747 12.64226 19.04493 
1 1 1   36    2   14 o  446.488   6.1328 12718.70  347.734 12718.70  347.734   0.0000   0.0000  446.488   6.1328  ?   ?       ?      ? 
1 1 1   36    2   15 o  287.879   3.6572  5281.27  133.608  5276.14  185.494  5286.82  192.607  287.753   5.0761  288.005   5.2661 -0.2525024 7.314334 
1 1 1   36    2   16 o  164.637   4.5322  1735.40   94.513  1871.23  133.307  1598.11  134.020  171.171   6.1326  158.102   6.6750 13.06911 9.064460 
1 1 1   36    2   17 o   68.930   9.6351  322.110   80.985  319.597  120.801  324.162  109.145   68.477   14.351   69.382   12.861 -0.9054413 19.27027 
1 1 1   36    2   18 o   31.607   9.9083 -29.7115   78.973 -28.5201  109.119 -31.0219  114.440   31.284   13.858   31.930   14.165 -0.6464748 19.81653 
1 1 1   36    2   19 o  239.454   3.7803  3671.06  114.814  3906.14  163.310  3441.32  161.449  247.086   5.2046  231.823   5.4840 15.26358 7.560597 
1 1 1   36    2   20 o  191.172   4.0719  2340.84   98.551  2258.11  133.347  2440.41  146.296  187.523   5.5995  194.820   5.9132 -7.296829 8.143733 
1 1 1   36    2   21 o  249.753   5.9027  4022.80  187.213  4022.80  187.213   0.0000   0.0000  249.753   5.9027  ?   ?       ?      ? 
1 1 1   36    2   22 o   71.500   9.6382  365.656   84.935  380.986  114.009  346.536  127.323   74.440   12.060   68.560   15.038 5.880463 19.27634 
1 1 1   36    2   23 o   34.863   10.582   29.554   84.158   45.286  112.428   9.5048  126.921   35.372   14.838   34.354   15.093 1.018204 21.16477 
1 1 1   36    4    0 o  347.234   4.6367  7595.96  193.831  7914.99  335.199  7435.69  237.581  352.536   7.4872  341.933   5.4713 10.60349 9.273300 
1 1 1   36    4    1 o  308.029   4.9673  6032.75  194.307  6032.75  194.307   0.0000   0.0000  308.029   4.9673  ?   ?       ?      ? 
1 1 1   36    4    2 o  121.238   5.5562  928.761   84.890  877.663  112.123  997.392  129.943  117.381   7.5217  125.095   8.1797 -7.714157 11.11230 
1 1 1   36    4    3 o  332.276   3.6949  7026.62  155.587  7102.44  213.907  6941.45  226.720  334.199   5.0401  330.352   5.4042 3.846466 7.389766 
1 1 1   36    4    4 o  178.281   4.0391  2038.24   90.547  2164.69  122.264  1884.63  134.752  184.483   5.2187  172.079   6.1664 12.40463 8.078296 
1 1 1   36    4    5 f  262.269   3.5528  4386.20  117.522  4479.68  158.204  4271.10  175.549  265.422   4.6936  259.115   5.3349 6.307190 7.105688 
1 1 1   36    4    6 o  279.097   3.5791  4940.07  126.362  4797.36  170.322  5114.79  188.458  274.644   4.8834  283.550   5.2337 -8.906342 7.158139 
1 1 1   36    4    7 o  257.982   3.5227  4198.88  114.680  3943.59  152.199  4534.19  174.429  249.001   4.8132  266.964   5.1450 -17.96269 7.045437 
1 1 1   36    4    8 o  351.690   3.6786  7871.92  164.178  7910.56  228.262  7830.52  236.312  352.599   5.0977  350.780   5.3048 1.818420 7.357170 
1 1 1   36    4    9 o  124.145   4.9444  965.006   77.243  832.700  101.715  1145.26  118.723  114.273   7.0091  134.017   6.9758 -19.74396 9.888868 
1 1 1   36    4   10 o  248.648   3.5124  3928.57  110.716  3832.78  151.435  4038.58  162.280  245.410   4.8591  251.887   5.0732 -6.476776 7.024827 
1 1 1   36    4   12 o  536.628   6.7068 18377.88  457.053   0.0000   0.0000 18377.88  457.053  ?   ?   536.628   6.7068      ?      ? 
1 1 1   36    4   13 o  345.456   5.4709  7605.46  240.011  7605.46  240.011   0.0000   0.0000  345.456   5.4709  ?   ?       ?      ? 
1 1 1   36    4   14 o  257.433   3.6273  4226.45  118.475  4347.31  165.689  4100.00  169.473  261.226   4.9946  253.640   5.2614 7.585266 7.254568 
1 1 1   36    4   15 o  267.370   3.6081  4556.36  122.502  4541.22  172.224  4571.86  174.281  266.925   5.0807  267.815   5.1244 -0.8900452 7.216156 
1 1 1   36    4   16 o   68.737   9.3665  310.658   79.419  210.882  106.613  435.054  119.042   55.613   14.826   81.861   11.451 -26.24841 18.73309 
1 1 1   36    4   17 o  262.764   3.7063  4410.48  123.616  4485.85  173.134  4332.09  176.556  265.083   5.1431  260.446   5.3381 4.636627 7.412601 
1 1 1   36    4   18 o  357.100   3.8812  8155.17  175.916  8049.59  244.243  8268.98  253.585  354.732   5.4218  359.467   5.5550 -4.735535 7.762359 
1 1 1   36    4   19 o  268.693   3.7118  4615.35  125.835  4544.06  168.069  4706.28  189.824  266.461   4.9668  270.926   5.5172 -4.465485 7.423558 
1 1 1   36    4   20 o   21.673   10.801 -494.1236   90.616 -288.0761  118.971 -778.8183  139.845   21.673   10.801  ?   ?       ?      ? 
1 1 1   36    4   21 o  202.195   4.0697  2627.20  104.198  2483.96  140.963  2799.73  154.710  196.204   5.6574  208.186   5.8518 -11.98187 8.139403 
1 1 1   36    4   22 o   50.486   11.538  191.390   83.852  187.723  111.421  196.179  127.334   50.043   15.730   50.929   16.885 -0.8861885 23.07620 
1 1 1   36    4   23 o  209.054   5.8831  2924.15  156.124  2812.71  218.678  3040.02  222.969  204.883   8.4047  213.225   8.2343 -8.342422 11.76617 
1 1 1   36    6    0 o  495.436   4.5080 15629.67  283.347 15747.46  392.928 15502.06  408.980  497.411   6.2204  493.461   6.5264 3.949799 9.015932 
1 1 1   36    6    1 o  327.428   3.7670  6818.14  155.779  6806.17  209.540  6832.94  232.918  327.137   5.0438  327.719   5.5966 -0.5820618 7.534061 
1 1 1   36    6    2 o   91.103   6.9205  513.310   78.769  422.231  101.587  650.627  124.735   81.290   9.8406  100.916   9.7331 -19.62549 13.84093 
1 1 1   36    6    3 o  122.965   5.1333  944.047   79.228  839.790  102.913  1095.75  124.141  114.811   7.0584  131.120   7.4553 -16.30919 10.26664 
1 1 1   36    6    4 o   59.053   10.252  233.037   77.105  182.708  107.836  285.684  110.292   52.652   15.249   65.453   13.708 -12.80123 20.50494 
1 1 1   36    6    5 o   34.557   9.7847 -19.7093   71.247 -106.2737   91.203  115.834  114.125   23.958   11.332   45.156   15.955 -21.19826 19.56944 
1 1 1   36    6    6 o  285.090   3.6964  5164.01  132.979  5103.39  177.832  5240.91  200.287  283.227   4.9442  286.953   5.4962 -3.725311 7.392809 
1 1 1   36    6    7 o  113.234   5.7481  814.331   81.458  793.782  105.920  844.077  127.440  111.544   7.4775  114.924   8.7321 -3.380455 11.49614 
1 1 1   36    6    8 o   65.114   9.3725  261.494   76.044  155.825   97.362  426.792  121.772   48.764   14.589   81.464   11.771 -32.70012 18.74507 
1 1 1   36    6    9 o  286.837   3.6836  5220.73  133.257  5094.14  177.360  5384.83  201.930  282.898   4.9368  290.777   5.4684 -7.878967 7.367233 
1 1 1   36    6   10 o  145.906   4.6132  1355.30   85.312  1317.55  116.446  1399.03  125.342  143.732   6.3796  148.080   6.6653 -4.348175 9.226398 
1 1 1   36    6   11 o  150.321   6.7291  1442.30  128.455  1442.30  128.455   0.0000   0.0000  150.321   6.7291  ?   ?       ?      ? 
1 1 1   36    6   13 o  263.964   5.3600  4441.43  179.676   0.0000   0.0000  4441.43  179.676  ?   ?   263.964   5.3600      ?      ? 
1 1 1   36    6   14 o  216.756   5.0825  2994.79  139.904  2994.79  139.904   0.0000   0.0000  216.756   5.0825  ?   ?       ?      ? 
1 1 1   36    6   15 f  252.994   3.8290  4081.47  122.322  4054.04  164.205  4115.67  183.351  252.106   5.1289  253.883   5.6869 -1.776947 7.658096 
1 1 1   36    6   16 o  139.611   5.4141  1272.10   92.201  1329.57  116.869  1177.36  150.046  144.105   6.3862  135.117   8.7445 8.987717 10.82820 
1 1 1   36    6   17 o   65.764   10.610  277.649   86.404  185.592  108.854  434.434  142.059   51.991   15.396   79.536   14.603 -27.54536 21.22004 
1 1 1   36    6   18 o   62.944   10.375  282.829   80.780  307.616  105.231  247.264  126.048   66.904   12.852   58.983   16.290 7.921036 20.74978 
1 1 1   36    6   19 o   26.563   8.9633 -173.7193   87.231 -62.0264  122.183 -289.8381  124.580   30.661   14.020   22.465   11.172 8.196140 17.92665 
1 1 1   36    6   20 o  118.780   6.3537  934.533   94.906  958.111  126.813  904.514  143.090  120.837   8.2640  116.723   9.6533 4.114037 12.70744 
1 1 1   36    6   21 o   63.382   13.020  305.007  111.709  223.966  145.249  422.350  174.777   53.967   18.039   72.798   18.781 -18.83059 26.04081 
1 1 1   36    6   22 o  101.377   10.288  759.193  131.283  844.301  183.594  670.141  187.800  108.319   13.347   94.434   15.660 13.88553 20.57596 
1 1 1   36    8    0 o  152.843   6.1238  1487.44  118.862  1487.44  118.862   0.0000   0.0000  152.843   6.1238  ?   ?       ?      ? 
1 1 1   36    8    1 o  326.920   3.8804  6816.24  160.004  6933.40  215.174  6671.32  239.305  330.116   5.1327  323.724   5.8210 6.391571 7.760714 
1 1 1   36    8    2 o  148.385   4.7957  1413.29   89.674  1574.95  124.868  1241.11  128.863  157.252   6.2529  139.518   7.2731 17.73331 9.591495 
1 1 1   36    8    3 o  153.269   4.7205  1463.13   90.634  1299.62  116.998  1708.51  143.322  142.822   6.4507  163.716   6.8936 -20.89412 9.440989 
1 1 1   36    8    4 o   87.817   7.7825  514.358   82.795  580.698  107.022  415.465  130.667   95.311   8.8420   80.324   12.810 14.98724 15.56509 
1 1 1   36    8    5 o  401.300   5.4981 10253.82  280.194 10253.82  280.194   0.0000   0.0000  401.300   5.4981  ?   ?       ?      ? 
1 1 1   36    8    6 o  229.717   3.9266  3292.29  111.551  3079.52  140.547  3654.50  183.374  219.954   5.0317  239.480   6.0296 -19.52672 7.853292 
1 1 1   36    8    7 o  240.036   3.9354  3690.25  118.459  3808.29  157.107  3534.72  180.339  244.576   5.0583  235.495   6.0302 9.080215 7.870800 
1 1 1   36    8    8 o  125.574   5.6793  994.621   89.894  853.463  119.849  1176.18  135.920  115.511   8.1702  135.636   7.8910 -20.12465 11.35866 
1 1 1   36    8    9 o  155.032   7.2396  1535.44  142.534  1535.44  142.534   0.0000   0.0000  155.032   7.2396  ?   ?       ?      ? 
1 1 1   36    8   10 o  284.106   5.6482  5145.86  203.782  5145.86  203.782   0.0000   0.0000  284.106   5.6482  ?   ?       ?      ? 
1 1 1   36    8   11 f  139.903   5.6868  1233.40   99.876  1128.62  129.859  1385.14  156.271  132.796   7.7003  147.010   8.3705 -14.21428 11.37367 
1 1 1   36    8   12 o  128.833   5.9798  1089.82   93.320  1158.24  117.901  975.066  152.696  134.596   6.8977  123.071   9.7700 11.52477 11.95959 
1 1 1   36    8   13 f   56.568   11.437  178.374   84.602  105.434  101.465  344.764  153.249   42.489   15.040   70.648   17.235 -28.15839 22.87446 
1 1 1   36    8   14 o  204.396   4.2611  2682.53  107.277  2719.53  136.587  2622.95  173.313  206.421   5.2105  202.372   6.7438 4.049454 8.522179 
1 1 1   36    8   15 o  194.738   4.2601  2429.84  102.238  2436.77  129.913  2418.58  165.703  195.296   5.2382  194.180   6.7197 1.115585 8.520136 
1 1 1   36    8   16 o   95.487   7.4756  596.054   88.097  593.727  112.123  599.807  142.417   95.581   9.2373   95.393   11.756 0.1885986 14.95116 
1 1 1   36    8   17 o   41.910   11.367   94.210   84.967  128.327  101.905   16.393  153.902   44.332   15.108   39.489   16.989 4.843765 22.73475 
1 1 1   36    8   18 o  149.605   6.0447  1436.00  113.679  1698.61  176.259  1248.97  148.751  161.046   8.6184  138.163   8.4779 22.88257 12.08931 
1 1 1   36    8   19 o  132.667   8.1595  1195.03  136.896  1204.96  186.032  1183.30  202.173  133.687   10.958  131.648   12.093 2.039673 16.31905 
1 1 1   36    8   20 o   54.209   13.893  226.190  125.612  280.772  173.716  166.379  181.848   58.860   19.727   49.559   19.567 9.300838 27.78534 
1 1 1   36   10    0 o   92.907   7.9437  548.947   93.223  495.783  124.415  617.007  140.770   87.839   11.153   97.975   11.314 -10.13535 15.88730 
1 1 1   36   10    1 o  207.397   6.7175  2743.38  176.926   0.0000   0.0000  2743.38  176.926  ?   ?   207.397   6.7175      ?      ? 
1 1 1   36   10    2 o  294.300   3.9848  5528.84  145.839  5574.95  188.504  5460.09  230.176  295.930   5.0159  292.669   6.1931 3.260803 7.969543 
1 1 1   36   10    3 o  273.072   3.9897  4769.04  136.515  4869.40  180.090  4633.46  209.312  276.542   5.1280  269.602   6.1136 6.940338 7.979496 
1 1 1   36   10    4 o   68.233   10.587  299.474   88.724  220.775  114.116  419.758  141.080   57.246   15.373   79.221   14.560 -21.97522 21.17316 
1 1 1   36   10    5 o  159.812   6.8594  1630.35  139.211  1630.35  139.211   0.0000   0.0000  159.812   6.8594  ?   ?       ?      ? 
1 1 1   36   10    6 o   56.586   17.561  210.862  139.377  210.862  139.377   0.0000   0.0000   56.586   17.561  ?   ?       ?      ? 
1 1 1   36   10    8 o   74.113   10.340  353.783   94.830  238.845  124.441  512.977  146.451   59.328   16.104   88.898   12.973 -29.57019 20.67921 
1 1 1   36   10    9 o   80.162   9.5528  424.346   91.295  422.741  114.721  427.118  150.762   80.890   11.168   79.434   15.502 1.455711 19.10565 
1 1 1   36   10   10 o  168.386   5.0816  1839.07  104.609  1912.09  132.738  1719.39  169.941  173.050   6.0401  163.722   8.1736 9.328400 10.16322 
1 1 1   36   10   11 o   38.196   11.295   29.336   89.805   67.143  106.939 -61.1091  165.405   38.957   15.114   37.435   16.790 1.521416 22.59078 
1 1 1   36   10   12 o  266.482   4.1345  4484.92  135.535  4329.13  170.246  4754.55  223.969  260.438   5.1475  272.527   6.4714 -12.08920 8.268987 
1 1 1   36   10   13 o   56.114   12.043  199.995   87.804  169.143  105.218  270.756  159.348   50.002   15.213   62.226   18.674 -12.22341 24.08625 
1 1 1   36   10   14 f  125.196   6.6995  1019.28  105.748  1015.81  141.296  1023.70  159.444  125.133   8.8916  125.259   10.024 -0.1255722 13.39897 
1 1 1   36   10   15 f  216.796   4.5823  3017.58  117.355  3002.85  141.891  3049.46  208.788  216.508   5.1606  217.084   7.5736 -0.5751953 9.164639 
1 1 1   36   10   16 o  100.512   9.9331  647.900  113.978  1134.84  187.621  363.084  143.491  130.329   11.336   70.695   16.314 59.63352 19.86626 
1 1 1   36   12    0 o  419.419   9.1400 11284.57  486.825   0.0000   0.0000 11284.57  486.825  ?   ?   419.419   9.1400      ?      ? 
1 1 1   36   12    1 o  181.809   11.248  2132.52  259.698   0.0000   0.0000  2132.52  259.698  ?   ?   181.809   11.248      ?      ? 
1 1 1   36   12    2 o   98.346   9.6716  653.321   95.941  666.438  109.066  608.453  201.724  101.981   8.4216   94.710   17.414 7.270340 19.34313 
1 1 1   36   12    3 o   89.694   11.295  518.963  118.343  485.695  143.293  590.338  209.888   86.491   13.046   92.897   18.442 -6.405930 22.58977 
1 1 1   36   12    4 o  224.834   4.7980  3176.04  131.680  3043.11  163.368  3422.58  222.482  218.404   5.8902  231.265   7.5755 -12.86107 9.595946 
1 1 1   36   12    5 o  131.091   6.5401  1055.96  106.226  889.174  133.541  1343.33  175.287  117.668   8.9367  144.514   9.5513 -26.84561 13.08023 
1 1 1   36   12    6 o  123.969   6.7975  950.260  104.049  833.007  129.942  1159.77  173.696  113.843   8.9880  134.096   10.200 -20.25213 13.59499 
1 1 1   36   12    7 o  220.680   4.6504  3167.61  126.206  3356.25  162.484  2880.70  200.379  229.323   5.5794  212.037   7.4416 17.28581 9.300861 
1 1 1   36   12    8 o  145.802   5.7028  1369.59   99.776  1377.72  122.745  1353.76  171.308  146.725   6.5876  144.879   9.3109 1.845139 11.40566 
1 1 1   36   12    9 o  192.075   5.0329  2386.06  115.052  2424.75  140.774  2308.25  199.661  194.786   5.6910  189.363   8.3027 5.422821 10.06588 
1 1 1   36   12   10 f   28.544   9.5938 -139.9466   90.749 -110.6608  111.924 -196.1425  155.042   27.075   12.728   30.012   14.358 -2.936544 19.18765 
1 1 1   36   12   11 o   91.608   10.206  578.907  111.398  612.509  142.915  526.883  177.827   96.493   11.663   86.724   16.753 9.768967 20.41297 
1 1 1   36   12   12 o   80.051   13.150  428.793  133.676  428.793  133.676   0.0000   0.0000   80.051   13.150  ?   ?       ?      ? 
1 1 1   36   12   13 o   42.314   18.099   33.872  172.846   33.872  172.846   0.0000   0.0000   42.314   18.099  ?   ?       ?      ? 
1 1 1   36   12   14 o  213.981   8.8360  3005.90  240.108  3005.90  240.108   0.0000   0.0000  213.981   8.8360  ?   ?       ?      ? 
1 1 1   36   14    0 o  143.545   5.8523  1307.78   96.034  1287.65  113.006  1360.11  182.198  141.932   6.2696  145.158   9.8839 -3.225494 11.70465 
1 1 1   36   14    1 o  172.688   5.2207  1952.96   99.992  1999.21  116.760  1825.72  193.658  177.021   5.1939  168.355   9.0580 8.666565 10.44144 
1 1 1   36   14    2 o   37.315   10.981   30.867   84.837   71.744  100.047 -73.7583  160.058   38.587   14.709   36.043   16.309 2.544693 21.96239 
1 1 1   36   14    3 o  106.453   7.6097  716.401   90.124  696.286  104.124  776.477  179.950  104.094   7.8767  108.811   13.023 -4.717056 15.21950 
1 1 1   36   14    4 o  217.556   4.7743  3040.14  111.376  3046.00  127.236  3020.93  230.353  218.551   4.5844  216.561   8.3760 1.990158 9.548513 
1 1 1   36   14    5 o  279.212   4.3071  4857.29  130.536  4737.84  148.977  5252.17  270.866  272.595   4.3035  285.829   7.4623 -13.23370 8.614265 
1 1 1   36   14    6 o   44.073   12.172   88.829   91.910   80.825  109.612  107.783  168.677   40.249   15.384   47.897   18.866 -7.648476 24.34301 
1 1 1   36   14    7 o  240.187   5.0757  3688.86  154.818  3688.86  154.818   0.0000   0.0000  240.187   5.0757  ?   ?       ?      ? 
1 1 1   36   14    8 o  127.014   6.8206  1039.02  110.015  1039.02  110.015   0.0000   0.0000  127.014   6.8206  ?   ?       ?      ? 
1 1 1   36   14    9 o  119.037   7.3419  916.709  110.986  916.709  110.986   0.0000   0.0000  119.037   7.3419  ?   ?       ?      ? 
1 1 1   36   14   10 o   99.954   8.6631  653.444  109.964  653.444  109.964   0.0000   0.0000   99.954   8.6631  ?   ?       ?      ? 
1 1 1   36   14   11 o  293.901   5.2415  5552.59  195.629  5552.59  195.629   0.0000   0.0000  293.901   5.2415  ?   ?       ?      ? 
1 1 1   36   16    0 o   98.741   11.793  645.887  147.875  645.887  147.875   0.0000   0.0000   98.741   11.793  ?   ?       ?      ? 
1 1 1   36   16    1 o  193.207   6.5968  2403.77  161.857  2403.77  161.857   0.0000   0.0000  193.207   6.5968  ?   ?       ?      ? 
1 1 1   36   16    2 o  140.627   8.0288  1283.45  143.383  1283.45  143.383   0.0000   0.0000  140.627   8.0288  ?   ?       ?      ? 
1 1 1   36   16    3 o   52.291   16.044  192.990  116.712  192.990  116.712   0.0000   0.0000   52.291   16.044  ?   ?       ?      ? 
1 1 1   36   16    4 o  122.350   8.6014  978.135  133.644  978.135  133.644   0.0000   0.0000  122.350   8.6014  ?   ?       ?      ? 
1 1 1   36   16    5 o   26.073   12.704 -218.2850  135.860 -218.2850  135.860   0.0000   0.0000   26.073   12.704  ?   ?       ?      ? 
1 1 1   36   16    6 o  202.450   6.4553  2651.82  165.963  2651.82  165.963   0.0000   0.0000  202.450   6.4553  ?   ?       ?      ? 
1 1 1   36   16    7 o   19.584   9.9175 -407.9513  123.207 -407.9513  123.207   0.0000   0.0000   19.584   9.9175  ?   ?       ?      ? 
1 1 1   36   16    8 o   33.088   14.589  -6.1672  119.560  -6.1672  119.560   0.0000   0.0000   33.088   14.589  ?   ?       ?      ? 
1 1 1   36   16    9 o   94.352   9.6576  597.773  115.718  597.773  115.718   0.0000   0.0000   94.352   9.6576  ?   ?       ?      ? 
1 1 1   36   18    0 o   89.453   13.646  565.058  155.017  565.058  155.017   0.0000   0.0000   89.453   13.646  ?   ?       ?      ? 
1 1 1   36   18    1 o   92.439   12.936  599.157  151.857  599.157  151.857   0.0000   0.0000   92.439   12.936  ?   ?       ?      ? 
1 1 1   36   18    3 o  107.756   10.507  792.873  143.780  792.873  143.780   0.0000   0.0000  107.756   10.507  ?   ?       ?      ? 
1 1 1   36   18    4 o  132.315   8.5067  1169.82  142.938  1169.82  142.938   0.0000   0.0000  132.315   8.5067  ?   ?       ?      ? 
1 1 1   36   18    5 o   90.093   11.277  565.877  129.016  565.877  129.016   0.0000   0.0000   90.093   11.277  ?   ?       ?      ? 
1 1 1   36   18    6 o  184.301   6.5263  2232.66  152.747  2232.66  152.747   0.0000   0.0000  184.301   6.5263  ?   ?       ?      ? 
1 1 1   37    1    0 o  215.816   3.7641  2962.07  103.117  2968.63  143.824  2955.13  147.922  216.067   5.2416  215.566   5.4035 0.5014801 7.528109 
1 1 1   37    1    1 o  142.378   4.4553  1290.74   80.481  1355.25  113.824  1226.24  113.811  145.946   6.1413  138.811   6.4563 7.135254 8.910646 
1 1 1   37    1    2 o   50.711   10.343  168.485   70.472  151.023   98.946  186.463  100.396   48.387   14.759   53.034   14.494 -4.647110 20.68564 
1 1 1   37    1    3 o  385.228   4.6651  9473.67  216.535  9361.57  369.022  9532.53  267.411  383.328   7.5806  387.128   5.4393 -3.799377 9.330172 
1 1 1   37    1    4 o   81.639   7.0071  423.297   72.322  401.261   96.914  450.992  108.646   79.268   9.6274   84.009   10.184 -4.740257 14.01420 
1 1 1   37    1    5 o   99.277   6.0778  627.825   76.521  610.872  104.994  647.031  111.755   97.858   8.4487  100.696   8.7393 -2.838371 12.15551 
1 1 1   37    1    6 o  101.167   5.7013  658.677   72.452  704.201   97.786  603.266  107.882  105.118   7.3253   97.217   8.7384 7.900146 11.40258 
1 1 1   37    1    7 o  141.295   4.3097  1267.57   77.160  1220.94  105.008  1322.30  113.758  138.486   5.9709  144.104   6.2163 -5.618423 8.619357 
1 1 1   37    1    8 o  100.025   5.7615  656.863   71.081  780.853   96.605  510.493  104.961  110.688   6.8726   89.362   9.2491 21.32566 11.52295 
1 1 1   37    1    9 o  156.999   4.1954  1569.99   83.518  1571.81  115.019  1567.94  121.470  157.109   5.7649  156.889   6.0968 0.2201691 8.390723 
1 1 1   37    1   10 o  209.788   3.5661  2794.56   94.890  2656.02  130.395  2950.51  138.346  204.276   5.0265  215.300   5.0599 -11.02353 7.132239 
1 1 1   37    1   11 o  547.550   4.7656 19126.28  331.359 19001.77  466.052 19253.57  471.216  545.754   6.7245  549.346   6.7545 -3.592468 9.531157 
1 1 1   37    1   12 o  266.869   3.5902  4529.29  121.516  4423.66  166.937  4648.33  177.223  263.577   4.9873  270.160   5.1656 -6.583069 7.180299 
1 1 1   37    1   13 o  561.290   6.9391 20122.50  494.616 20122.50  494.616   0.0000   0.0000  561.290   6.9391  ?   ?       ?      ? 
1 1 1   37    1   14 o  256.125   3.7259  4184.27  121.079  4290.79  169.095  4072.19  173.451  259.498   5.1312  252.753   5.4038 6.744888 7.451897 
1 1 1   37    1   15 o  205.232   4.0031  2687.80  104.259  2706.91  145.047  2667.38  149.965  206.007   5.5443  204.458   5.7758 1.548737 8.006178 
1 1 1   37    1   16 o  275.808   3.6703  4843.32  128.432  4601.65  177.318  5110.02  186.273  268.582   5.1987  283.034   5.1824 -14.45126 7.340587 
1 1 1   37    1   17 o  247.617   3.7627  3913.52  118.221  3696.39  165.200  4141.44  169.255  240.558   5.4077  254.676   5.2333 -14.11823 7.525333 
1 1 1   37    1   18 o  191.582   4.2150  2347.01  102.361  2279.15  139.842  2425.32  150.237  188.640   5.8375  194.524   6.0817 -5.883606 8.429911 
1 1 1   37    1   19 o   55.749   10.643  218.960   76.925  218.898  104.334  219.033  113.867   55.806   14.566   55.691   15.521 0.1148758 21.28532 
1 1 1   37    1   20 o   70.502   15.264  356.483  132.705   0.0000   0.0000  356.483  132.705  ?   ?    70.502   15.264      ?      ? 
1 1 1   37    1   21 o   89.194   7.8297  542.686   87.212  493.605  131.740  580.976  116.360   84.999   12.205   93.390   9.8113 -8.390007 15.65935 
1 1 1   37    1   22 o   63.194   10.886  301.535   86.590  290.098  122.983  312.777  121.937   61.821   15.650   64.567   15.135 -2.746635 21.77130 
1 1 1   37    1   23 o  166.420   4.9311  1824.18  104.162  1756.59  144.760  1896.74  149.994  163.217   6.9840  169.622   6.9633 -6.404785 9.862232 
1 1 1   37    3    0 o  322.442   3.7310  6613.58  152.654  6657.65  212.105  6566.22  219.877  323.567   5.1619  321.316   5.3885 2.250885 7.461976 
1 1 1   37    3    1 o  225.053   3.7997  3221.28  108.590  3263.00  153.911  3179.92  153.231  226.506   5.3507  223.600   5.3963 2.905472 7.599374 
1 1 1   37    3    2 o   38.659   14.844   64.783  102.359   64.783  102.359   0.0000   0.0000   38.659   14.844  ?   ?       ?      ? 
1 1 1   37    3    3 f  223.079   3.6645  3170.51  103.355  3227.02  140.454  3103.76  152.638  225.269   4.9097  220.888   5.4414 4.381836 7.328986 
1 1 1   37    3    4 o  241.064   3.6196  3694.84  110.574  3676.28  151.362  3716.09  161.923  240.427   4.9574  241.700   5.2754 -1.272781 7.239180 
1 1 1   37    3    5 o   44.775   9.9926  119.807   64.063   82.438   83.912  172.021   99.189   38.494   13.672   51.056   14.577 -12.56170 19.98521 
1 1 1   37    3    6 o   93.485   5.7718  555.954   68.412  516.938   94.039  599.816   99.707   90.008   8.2271   96.963   8.0974 -6.954559 11.54356 
1 1 1   37    3    7 o  271.063   4.1729  4682.81  140.365  4655.20  223.310  4700.84  180.474  270.323   6.5050  271.802   5.2286 -1.479645 8.345840 
1 1 1   37    3    8 o   92.656   6.5512  552.694   75.618  569.105   98.688  529.357  117.684   94.403   8.2319   90.910   10.194 3.493706 13.10244 
1 1 1   37    3    9 o   62.684   9.5286  256.909   73.150  213.662   95.974  316.855  112.995   56.425   13.562   68.944   13.388 -12.51918 19.05717 
1 1 1   37    3   10 o   67.084   9.1181  303.165   74.970  354.203  101.522  241.952  111.183   74.255   10.766   59.912   14.719 14.34257 18.23619 
1 1 1   37    3   11 o  450.785   4.1704 12952.51  238.726 13097.86  337.483 12806.93  337.737  453.327   5.8622  448.244   5.9332 5.083344 8.340760 
1 1 1   37    3   12 o  122.754   5.5538  961.628   86.370  935.520  117.514  992.301  127.373  120.969   7.6496  124.540   8.0536 -3.571182 11.10756 
1 1 1   37    3   13 o  237.193   3.8753  3585.66  116.714  3557.60  163.382  3614.89  166.789  236.252   5.4457  238.135   5.5153 -1.882965 7.750693 
1 1 1   37    3   14 o  371.928   3.8807  8809.68  183.182  9216.01  264.106  8432.98  254.290  380.188   5.4702  363.669   5.5061 16.51953 7.761468 
1 1 1   37    3   15 o  212.433   4.0199  2876.82  108.270  2828.21  148.405  2932.14  158.307  210.541   5.5505  214.325   5.8164 -3.783249 8.039789 
1 1 1   37    3   16 o  267.701   3.6871  4574.58  125.305  4635.29  175.695  4511.74  178.760  269.529   5.1331  265.872   5.2944 3.657471 7.374250 
1 1 1   37    3   17 o  114.139   6.0557  840.290   87.489  835.434  118.874  846.029  129.228  113.851   8.2219  114.427   8.8931 -0.5755692 12.11142 
1 1 1   37    3   18 o  356.028   3.8481  8115.60  173.875  8137.10  241.868  8092.62  250.132  356.569   5.3414  355.487   5.5407 1.082367 7.696144 
1 1 1   37    3   19 o  152.372   4.7538  1497.27   91.922  1485.65  127.431  1509.88  132.725  151.795   6.6106  152.949   6.8333 -1.153091 9.507554 
1 1 1   37    3   20 o  295.250   5.4284  5606.88  203.535   0.0000   0.0000  5606.88  203.535  ?   ?   295.250   5.4284      ?      ? 
1 1 1   37    3   21 o   53.095   11.110  209.322   80.145  213.976  109.474  203.948  117.650   53.777   15.300   52.413   16.113 1.364330 22.21966 
1 1 1   37    3   22 o  237.884   3.8452  3669.27  115.895  3724.35  159.348  3607.40  168.868  239.958   5.2292  235.809   5.6391 4.149292 7.690483 
1 1 1   37    5    0 o  168.569   4.3197  1813.20   91.337  1839.88  120.611  1777.34  139.856  170.058   5.5849  167.079   6.5915 2.979111 8.639340 
1 1 1   37    5    1 o  253.043   3.6789  4077.36  117.991  4155.98  162.810  3990.40  171.237  255.630   5.0152  250.456   5.3838 5.174942 7.357852 
1 1 1   37    5    2 o  151.666   4.5954  1473.69   87.763  1548.53  118.592  1383.09  130.490  155.981   5.9870  147.351   6.9734 8.629456 9.190892 
1 1 1   37    5    3 o  130.359   4.9134  1078.80   80.306  1059.37  105.065  1106.10  124.543  128.984   6.4143  131.734   7.4446 -2.749466 9.826771 
1 1 1   37    5    4 o  194.815   3.8957  2398.59   95.978  2240.52  128.748  2596.32  143.996  187.648   5.4028  201.982   5.6138 -14.33350 7.791379 
1 1 1   37    5    5 o   74.380   8.2473  341.760   73.590  240.792   93.818  503.233  118.643   60.109   12.689   88.651   10.539 -28.54179 16.49454 
1 1 1   37    5    6 o   97.670   6.3419  605.497   78.034  578.613  103.094  641.563  119.408   95.179   8.5294  100.161   9.3876 -4.981743 12.68375 
1 1 1   37    5    7 o  107.473   6.0156  719.833   80.818  640.322  103.708  842.786  128.965  100.130   8.1558  114.816   8.8448 -14.68610 12.03114 
1 1 1   37    5    8 o  204.752   3.8782  2664.66  100.234  2626.00  134.125  2713.55  150.848  203.103   5.2002  206.401   5.7550 -3.298569 7.756437 
1 1 1   37    5    9 o  172.835   4.9356  1932.20  103.876  1811.11  170.486  2003.70  131.000  168.337   7.9750  177.332   5.8171 -8.994202 9.871152 
1 1 1   37    5   11 o  273.280   3.9662  4749.10  137.443  5122.53  199.205  4409.83  189.877  283.524   5.5327  263.036   5.6843 20.48795 7.932334 
1 1 1   37    5   12 o  162.493   6.7884  1686.53  140.080   0.0000   0.0000  1686.53  140.080  ?   ?   162.493   6.7884      ?      ? 
1 1 1   37    5   13 o  210.734   3.8456  2821.05  102.639  2699.42  139.117  2966.35  152.050  205.785   5.3234  215.683   5.5513 -9.898117 7.691255 
1 1 1   37    5   14 o   45.807   11.116  128.108   77.372  128.986  101.311  126.879  119.853   45.286   15.063   46.329   16.352 -1.043537 22.23256 
1 1 1   37    5   15 o  122.220   5.8694  958.330   90.510  943.476  120.897  977.273  136.523  121.224   7.8533  123.217   8.7249 -1.993256 11.73872 
1 1 1   37    5   16 o  172.184   4.4442  1885.95   96.408  1805.39  127.422  1993.80  147.440  167.981   5.9732  176.386   6.5822 -8.404694 8.888459 
1 1 1   37    5   17 o  174.007   4.5399  1972.41   98.039  2105.03  128.544  1787.98  151.584  181.333   5.5821  166.681   7.1613 14.65138 9.079849 
1 1 1   37    5   18 o   38.728   11.103   56.489   83.537   56.274  107.032   56.824  133.621   37.261   14.914   40.196   16.452 -2.934471 22.20601 
1 1 1   37    5   19 f  144.087   6.0991  1371.74  110.037  1617.68  154.988  1121.78  156.253  157.655   7.7413  130.518   9.4271 27.13692 12.19826 
1 1 1   37    5   20 o  144.435   5.3006  1371.35   95.226  1409.72  123.959  1316.11  148.744  147.358   6.6241  141.512   8.2769 5.845627 10.60120 
1 1 1   37    5   21 o   75.959   11.065  521.537   98.028  640.010  116.089  227.131  183.000   97.722   9.3545   54.196   20.055 43.52606 22.12971 
1 1 1   37    5   22 o   47.524   13.270  145.680  126.270   23.558  182.411  258.036  174.966   39.779   17.751   55.269   19.730 -15.48915 26.54029 
1 1 1   37    7    0 o  368.673   4.0247  8662.42  187.371  8764.95  252.788  8537.42  279.131  371.146   5.3633  366.200   6.0022 4.945953 8.049349 
1 1 1   37    7    1 o  297.919   5.1368  5646.82  194.344  5646.82  194.344   0.0000   0.0000  297.919   5.1368  ?   ?       ?      ? 
1 1 1   37    7    2 o  197.305   4.2197  2508.24  103.736  2655.29  136.633  2308.13  159.391  204.274   5.2670  190.337   6.5942 13.93770 8.439495 
1 1 1   37    7    3 o  194.582   4.1442  2435.51   99.896  2532.58  129.341  2291.98  157.269  199.503   5.1052  189.662   6.5296 9.840622 8.288421 
1 1 1   37    7    4 o  271.599   3.7335  4672.37  127.903  4510.88  170.014  4882.95  194.144  266.249   5.0283  276.950   5.5201 -10.70157 7.466916 
1 1 1   37    7    5 o  191.416   4.2163  2337.35  100.828  2352.85  131.540  2315.28  157.000  192.243   5.3880  190.589   6.4867 1.653748 8.432553 
1 1 1   37    7    6 o  343.487   3.8616  7511.04  167.602  7491.46  225.891  7535.02  249.987  343.038   5.1854  343.936   5.7235 -0.8977966 7.723116 
1 1 1   37    7    7 o  116.576   5.8724  872.316   85.696  889.236  112.736  849.158  131.891  117.995   7.5235  115.158   9.0187 2.836571 11.74479 
1 1 1   37    7    8 o   44.798   11.368  112.466   82.059  112.088  111.446  112.914  121.274   44.333   15.755   45.263   16.393 -0.9299583 22.73682 
1 1 1   37    7    9 o  106.364   7.4397  730.394   99.898  758.259  135.778  697.509  147.503  108.669   9.8389  104.059   11.162 4.609940 14.87931 
1 1 1   37    7   10 o  316.467   5.8455  6386.66  234.924  6386.66  234.924   0.0000   0.0000  316.467   5.8455  ?   ?       ?      ? 
1 1 1   37    7   11 f   83.951   9.8228  512.209   94.006  658.536  122.699  304.247  146.275  101.225   9.5450   66.678   17.171 34.54745 19.64555 
1 1 1   37    7   12 f  225.113   3.8579  3224.24  109.781  3158.00  147.648  3306.13  164.171  222.574   5.2237  227.653   5.6787 -5.078751 7.715831 
1 1 1   37    7   13 o  153.538   4.9117  1533.54   93.606  1651.97  123.168  1371.61  144.023  160.820   6.0309  146.257   7.7542 14.56319 9.823409 
1 1 1   37    7   14 o  304.786   3.8350  5948.30  147.606  6108.91  200.092  5756.56  218.629  309.413   5.0923  300.159   5.7356 9.253632 7.669988 
1 1 1   37    7   15 o  143.769   5.3746  1328.78   94.102  1326.76  117.500  1332.38  157.140  143.880   6.4307  143.657   8.6135 0.2230530 10.74929 
1 1 1   37    7   16 o   75.681   9.6542  412.457   85.473  482.228  109.303  302.636  137.132   85.964   10.012   65.398   16.510 20.56544 19.30846 
1 1 1   37    7   17 o  166.938   4.7201  1833.63   97.562  2015.13  128.855  1589.78  149.352  177.152   5.7276  156.725   7.5040 20.42719 9.440150 
1 1 1   37    7   19 f   93.361   9.5608  541.090  100.028  475.119  114.331  756.384  206.538   84.042   10.712  102.680   15.839 -18.63797 19.12162 
1 1 1   37    7   20 o  132.803   7.6449  1207.58  128.258  1268.73  176.102  1138.49  187.172  136.963   10.125  128.643   11.457 8.319412 15.28972 
1 1 1   37    7   21 o   98.151   10.442  714.711  129.914  712.488  178.665  717.206  189.244   98.437   14.292   97.864   15.227 0.5724106 20.88395 
1 1 1   37    9    0 f   46.392   11.511  120.969   88.366  179.443  114.395   34.455  139.144   52.336   15.849   40.448   16.699 11.88775 23.02223 
1 1 1   37    9    1 o  142.627   5.2105  1274.26   92.690  1179.41  118.598  1423.12  148.577  135.983   6.8678  149.272   7.8378 -13.28940 10.42105 
1 1 1   37    9    2 o   57.451   11.604  206.787   87.343  160.191  109.867  286.816  143.984   49.803   15.614   65.099   17.170 -15.29574 23.20756 
1 1 1   37    9    3 o  381.435   6.2545  9275.35  302.963   0.0000   0.0000  9275.35  302.963  ?   ?   381.435   6.2545      ?      ? 
1 1 1   37    9    4 f  240.534   4.0953  3704.55  122.983  3788.76  160.913  3586.28  190.708  243.921   5.1948  237.148   6.3324 6.772949 8.190559 
1 1 1   37    9    5 o  169.477   4.8602  1836.73  103.002  1853.27  134.767  1813.50  159.727  170.475   6.2251  168.478   7.4655 1.997513 9.720346 
1 1 1   37    9    6 o  233.362   5.7132  3470.95  169.311  3470.95  169.311   0.0000   0.0000  233.362   5.7132  ?   ?       ?      ? 
1 1 1   37    9    8 o  260.751   5.5971  4334.81  185.340  4334.81  185.340   0.0000   0.0000  260.751   5.5971  ?   ?       ?      ? 
1 1 1   37    9    9 o  104.446   7.1347  686.420   92.593  630.611  117.449  778.072  150.510   99.067   9.3356  109.824   10.792 -10.75725 14.26933 
1 1 1   37    9   10 o  334.454   3.9993  7143.74  168.358  7193.33  224.141  7079.54  255.025  335.895   5.2546  333.013   6.0304 2.882507 7.998508 
1 1 1   37    9   11 o  252.295   4.2109  4074.53  130.949  4103.94  166.609  4027.00  211.798  253.669   5.1719  250.920   6.6467 2.749023 8.421877 
1 1 1   37    9   12 o  174.622   4.9670  1961.07  105.957  1979.74  133.193  1928.88  174.867  175.984   5.9598  173.259   7.9476 2.725098 9.933915 
1 1 1   37    9   13 o  173.242   4.9616  1917.40  106.100  1888.89  134.597  1964.20  172.430  171.759   6.1708  174.725   7.7711 -2.966232 9.923103 
1 1 1   37    9   14 o   50.041   12.195  151.930   88.026  133.085  105.251  195.793  160.574   45.464   15.355   54.617   18.950 -9.152843 24.39022 
1 1 1   37    9   15 o  274.390   4.0838  4825.03  137.315  4806.56  172.760  4856.72  226.281  274.056   4.9639  274.724   6.4860 -0.6679382 8.167509 
1 1 1   37    9   16 o  157.736   5.5869  1623.29  109.137  1641.64  140.229  1595.10  173.806  159.303   6.9317  156.169   8.7638 3.133881 11.17371 
1 1 1   37    9   17 o   29.211   14.625 -713.7180  149.591 -831.2115  197.164 -554.3361  229.636  ?   ?    29.211   14.625      ?      ? 
1 1 1   37   11    0 o   73.921   12.503  363.481  112.764  333.280  141.691  415.656  186.235   70.041   16.245   77.800   19.011 -7.759384 25.00643 
1 1 1   37   11    1 o  153.331   6.8652  1547.66  128.361  1670.21  164.397  1356.28  205.446  161.574   8.0121  145.089   11.150 16.48466 13.73037 
1 1 1   37   11    4 o  227.092   6.0337  3290.23  174.007  3290.23  174.007   0.0000   0.0000  227.092   6.0337  ?   ?       ?      ? 
1 1 1   37   11    5 o  136.023   6.1337  1191.16  104.382  1213.48  137.124  1160.41  160.962  137.669   7.8433  134.376   9.4324 3.292068 12.26735 
1 1 1   37   11    6 o   81.128   10.385  452.475   99.182  489.797  124.886  388.730  163.214   87.038   11.299   75.217   17.428 11.82088 20.77017 
1 1 1   37   11    7 o   57.645   12.108  221.045   93.052  210.445  117.956  238.511  151.413   55.754   15.889   59.537   18.275 -3.783020 24.21619 
1 1 1   37   11    8 o  124.326   6.4931  975.434   99.391  918.684  124.482  1075.24  165.080  119.614   8.1950  129.038   10.074 -9.424667 12.98621 
1 1 1   37   11    9 o  111.576   7.8324  850.029  101.736  930.676  125.290  693.929  174.310  120.312   8.2003  102.840   13.347 17.47222 15.66484 
1 1 1   37   11   10 o  144.550   5.7241  1319.77   98.840  1272.92  119.870  1419.28  174.701  140.927   6.6979  148.173   9.2843 -7.246567 11.44812 
1 1 1   37   11   11 o  218.194   4.5465  3079.35  117.928  3129.59  144.140  2977.62  205.091  221.303   5.1288  215.085   7.5086 6.218491 9.093096 
1 1 1   37   11   12 o  278.159   4.1335  4992.60  142.505  5115.56  183.914  4807.87  225.430  282.784   5.1213  273.534   6.4897 9.250275 8.267021 
1 1 1   37   11   13 o  130.583   6.9927  1124.28  114.461  1158.43  151.767  1079.23  174.309  133.267   8.9676  127.900   10.732 5.367073 13.98534 
1 1 1   37   11   14 o   27.428   13.506 -539.9606  138.214 -313.6636  166.385 -1043.7560  248.257   27.428   13.506  ?   ?       ?      ? 
1 1 1   37   11   15 o   23.000   11.690 -642.8164  182.218 -642.8164  182.218   0.0000   0.0000   23.000   11.690  ?   ?       ?      ? 
1 1 1   37   13    0 o   44.070   11.952   96.932   89.769  128.770  103.076  -3.0486  182.659   45.382   15.196   42.758   18.451 2.624287 23.90314 
1 1 1   37   13    1 o  124.506   6.9437  1006.30   93.419  1012.98  107.256  985.301  190.148  125.863   6.7104  123.149   12.159 2.714188 13.88744 
1 1 1   37   13    2 o  111.741   7.1019  813.437   89.106  822.463  104.444  789.300  170.804  113.324   7.2575  110.158   12.210 3.166168 14.20384 
1 1 1   37   13    3 o  100.061   7.4553  656.411   86.728  669.892  104.262  626.129  156.259  102.146   8.0376   97.977   12.559 4.168648 14.91051 
1 1 1   37   13    4 o  162.433   5.5669  1774.30   95.939  1847.46  110.310  1547.11  194.388  170.165   5.1046  154.701   9.8946 15.46431 11.13375 
1 1 1   37   13    5 f  191.442   5.1633  2405.14  100.780  2443.43  113.351  2260.68  220.170  195.767   4.5594  187.116   9.2655 8.651520 10.32659 
1 1 1   37   13    6 o   51.270   11.991  167.051   81.103  168.172   91.883  163.097  172.569   49.702   13.974   52.839   19.491 -3.137054 23.98272 
1 1 1   37   13    7 o   58.198   12.059  218.042   87.292  193.633  102.468  282.629  166.679   53.025   14.704   63.372   19.117 -10.34674 24.11790 
1 1 1   37   13    8 o   95.215   8.1888  586.012   99.016  586.012   99.016   0.0000   0.0000   95.215   8.1888  ?   ?       ?      ? 
1 1 1   37   13    9 o  264.659   4.9533  4480.90  166.477  4480.90  166.477   0.0000   0.0000  264.659   4.9533  ?   ?       ?      ? 
1 1 1   37   13   10 o  138.535   6.3016  1235.66  110.863  1235.66  110.863   0.0000   0.0000  138.535   6.3016  ?   ?       ?      ? 
1 1 1   37   13   11 o  148.193   6.4247  1417.90  120.908  1417.90  120.908   0.0000   0.0000  148.193   6.4247  ?   ?       ?      ? 
1 1 1   37   13   12 o  127.375   7.9695  1060.46  128.912  1060.46  128.912   0.0000   0.0000  127.375   7.9695  ?   ?       ?      ? 
1 1 1   37   15    0 o  159.798   6.3353  1627.53  124.891  1544.79  157.146  1769.40  205.770  154.705   7.9987  164.891   9.8267 -10.18529 12.67056 
1 1 1   37   15    1 o   91.569   9.9085  530.164  111.010  453.806  136.477  679.456  190.834   82.679   12.998  100.460   14.958 -17.78138 19.81692 
1 1 1   37   15    2 o  144.841   7.6143  1354.06  140.055  1354.06  140.055   0.0000   0.0000  144.841   7.6143  ?   ?       ?      ? 
1 1 1   37   15    3 o  130.376   8.0188  1100.40  132.766  1100.40  132.766   0.0000   0.0000  130.376   8.0188  ?   ?       ?      ? 
1 1 1   37   15    4 o   37.343   15.472   39.311  120.080   39.311  120.080   0.0000   0.0000   37.343   15.472  ?   ?       ?      ? 
1 1 1   37   15    5 o   21.018   10.506 -301.1713  116.279 -301.1713  116.279   0.0000   0.0000   21.018   10.506  ?   ?       ?      ? 
1 1 1   37   15    7 f  170.497   7.3136  1888.33  158.353  1888.33  158.353   0.0000   0.0000  170.497   7.3136  ?   ?       ?      ? 
1 1 1   37   15    8 o  ?   ?  -693.5136  131.871 -693.5136  131.871   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   37   15    9 o  157.787   6.3127  1614.32  126.492  1614.32  126.492   0.0000   0.0000  157.787   6.3127  ?   ?       ?      ? 
1 1 1   37   15   10 o   93.060   9.1333  577.312  107.937  577.312  107.937   0.0000   0.0000   93.060   9.1333  ?   ?       ?      ? 
1 1 1   37   17    0 o   41.302   17.218   63.495  150.026   63.495  150.026   0.0000   0.0000   41.302   17.218  ?   ?       ?      ? 
1 1 1   37   17    1 o  100.440   11.409  683.449  145.523  683.449  145.523   0.0000   0.0000  100.440   11.409  ?   ?       ?      ? 
1 1 1   37   17    2 o  156.985   7.9272  1617.79  158.035  1617.79  158.035   0.0000   0.0000  156.985   7.9272  ?   ?       ?      ? 
1 1 1   37   17    3 o  138.643   8.6446  1272.44  152.202  1272.44  152.202   0.0000   0.0000  138.643   8.6446  ?   ?       ?      ? 
1 1 1   37   17    4 o   41.408   16.490   94.468  130.183   94.468  130.183   0.0000   0.0000   41.408   16.490  ?   ?       ?      ? 
1 1 1   37   17    5 o  120.635   8.7210  969.673  133.604  969.673  133.604   0.0000   0.0000  120.635   8.7210  ?   ?       ?      ? 
1 1 1   37   17    6 o   98.253   10.310  658.582  128.641  658.582  128.641   0.0000   0.0000   98.253   10.310  ?   ?       ?      ? 
1 1 1   37   17    7 o   67.431   14.887  346.119  124.074  346.119  124.074   0.0000   0.0000   67.431   14.887  ?   ?       ?      ? 
1 1 1   38    0    0 o  253.346   3.6160  4083.51  164.375  4083.51  164.375  4083.51  164.375  253.346   5.1138  253.346   5.1138 -0.000000 0.000000 
1 1 1   38    0    1 o   24.606   10.919   20.136  100.459   20.136  100.459   20.136  100.459   24.606   15.442   24.606   15.442 -0.000000 0.000000 
1 1 1   38    0    2 o   31.769   12.057   92.237   94.695   92.237   94.695   92.237   94.695   31.769   17.051   31.769   17.051 -0.000000 0.000000 
1 1 1   38    0    3 o  333.955   3.6163  7092.40  216.781  7092.40  216.781  7092.40  216.781  333.955   5.1143  333.955   5.1143 -0.000000 0.000000 
1 1 1   38    0    4 o   46.213   12.625  186.329   99.468  186.329   99.468  186.329   99.468   46.213   17.855   46.213   17.855 -0.000000 0.000000 
1 1 1   38    0    5 o  279.932   3.5527  4984.93  178.481  4984.93  178.481  4984.93  178.481  279.932   5.0243  279.932   5.0243 -0.000000 0.000000 
1 1 1   38    0    6 o  142.822   4.3015  1304.02  109.879  1304.02  109.879  1304.02  109.879  142.822   6.0833  142.822   6.0833 -0.000000 0.000000 
1 1 1   38    0    8 o  295.339   3.4936  5549.04  185.189  5549.04  185.189  5549.04  185.189  295.339   4.9407  295.339   4.9407 -0.000000 0.000000 
1 1 1   38    0    9 o  215.223   3.6277  2949.94  140.042  2949.94  140.042  2949.94  140.042  215.223   5.1304  215.223   5.1304 -0.000000 0.000000 
1 1 1   38    0   10 o   19.910   9.4676 -39.5789   96.413 -39.5789   96.413 -39.5789   96.413   19.910   13.389   19.910   13.389 -0.000000 0.000000 
1 1 1   38    0   11 o   18.971   9.2773 -85.6613  107.597 -85.6613  107.597 -85.6613  107.597   18.971   13.120   18.971   13.120 -0.000000 0.000000 
1 1 1   38    0   13 o   72.550   10.553  377.471  121.461  377.471  121.461  377.471  121.461   72.550   14.924   72.550   14.924 -0.000000 0.000000 
1 1 1   38    0   14 o  232.964   3.7612  3458.49  157.179  3458.49  157.179  3458.49  157.179  232.964   5.3191  232.964   5.3191 -0.000000 0.000000 
1 1 1   38    0   15 f  207.417   4.0091  2745.08  149.092  2745.08  149.092  2745.08  149.092  207.417   5.6698  207.417   5.6698 -0.000000 0.000000 
1 1 1   38    0   16 o  277.384   3.7847  4904.63  188.384  4904.63  188.384  4904.63  188.384  277.384   5.3524  277.384   5.3524 -0.000000 0.000000 
1 1 1   38    0   17 o   33.820   13.371  104.560  121.558  104.560  121.558  104.560  121.558   33.820   18.909   33.820   18.909 -0.000000 0.000000 
1 1 1   38    0   18 o   26.602   11.743   33.443  114.617   33.443  114.617   33.443  114.617   26.602   16.607   26.602   16.607 -0.000000 0.000000 
1 1 1   38    0   19 o  191.607   3.9994  2351.37  137.354  2351.37  137.354  2351.37  137.354  191.607   5.6560  191.607   5.6560 -0.000000 0.000000 
1 1 1   38    0   20 o  ?   ?  -580.0794  124.697 -580.0794  124.697 -580.0794  124.697  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   38    0   21 o   18.778   9.2625 -95.4612  113.506 -95.4612  113.506 -95.4612  113.506   18.778   13.099   18.778   13.099 -0.000000 0.000000 
1 1 1   38    0   22 o   76.220   10.291  429.428  125.977  429.428  125.977  429.428  125.977   76.220   14.554   76.220   14.554 -0.000000 0.000000 
1 1 1   38    2    0 o  204.451   3.9775  2658.53  103.238  2566.81  144.897  2753.11  147.129  200.866   5.6804  208.035   5.5691 -7.169495 7.954947 
1 1 1   38    2    1 o  254.247   4.4489  4091.13  137.615  4034.31  171.018  4195.50  231.791  251.843   5.3473  256.651   7.1117 -4.808868 8.897771 
1 1 1   38    2    2 o   52.234   10.557  176.393   73.088  152.866   96.239  208.450  112.341   48.474   14.505   55.994   15.344 -7.519917 21.11449 
1 1 1   38    2    3 o  138.330   4.6104  1215.12   80.441  1191.19  107.193  1245.98  121.704  136.796   6.1704  139.865   6.8520 -3.069626 9.220890 
1 1 1   38    2    4 o  300.878   3.5289  5758.29  134.827  5782.72  189.725  5733.37  191.638  301.526   4.9548  300.229   5.0263 1.296753 7.057887 
1 1 1   38    2    5 o  153.258   4.2441  1494.80   82.550  1481.47  114.528  1509.20  119.092  152.553   5.9117  153.962   6.0911 -1.409180 8.488203 
1 1 1   38    2    6 o  251.498   4.4940  3903.74  127.107  3767.71  147.366  4298.98  251.194  243.378   4.7680  259.617   7.6190 -16.23859 8.987946 
1 1 1   38    2    7 o  195.024   3.7824  2424.21   93.399  2653.40  132.641  2198.82  131.538  204.199   5.1150  185.848   5.5733 18.35040 7.564761 
1 1 1   38    2    8 o  119.334   5.1480  906.634   77.049  896.438  101.047  920.796  119.091  118.577   6.7103  120.091   7.8089 -1.513672 10.29602 
1 1 1   38    2    9 o   97.897   6.2219  605.438   76.858  538.895  102.138  692.307  116.699   91.777   8.7635  104.017   8.8346 -12.23990 12.44385 
1 1 1   38    2   10 o  138.194   4.7411  1222.80   82.321  1250.20  109.468  1187.13  124.888  140.035   6.1557  136.354   7.2124 3.680634 9.482105 
1 1 1   38    2   11 o  246.572   5.4567  3873.61  170.866   0.0000   0.0000  3873.61  170.866  ?   ?   246.572   5.4567      ?      ? 
1 1 1   38    2   13 o  194.885   4.1935  2440.26  102.851  2584.40  139.143  2266.65  152.710  201.347   5.4417  188.423   6.3820 12.92336 8.387023 
1 1 1   38    2   14 o  169.409   4.3852  1831.95   94.271  1814.51  130.537  1850.95  136.288  168.583   6.0974  170.235   6.3042 -1.652191 8.770439 
1 1 1   38    2   15 o  277.060   3.6711  4897.99  129.126  5023.31  182.193  4771.52  183.033  280.641   5.1121  273.479   5.2702 7.162079 7.342272 
1 1 1   38    2   16 o  178.517   5.9189  2037.86  134.183   0.0000   0.0000  2037.86  134.183  ?   ?   178.517   5.9189      ?      ? 
1 1 1   38    2   17 o  237.609   3.8660  3612.32  116.576  3444.65  164.260  3782.47  165.475  232.018   5.5748  243.200   5.3578 -11.18266 7.732097 
1 1 1   38    2   18 o   73.172   8.8483  366.697   78.631  393.808  104.108  330.691  119.975   77.405   10.591   68.939   14.177 8.466118 17.69656 
1 1 1   38    2   19 o  154.055   7.1010  1537.06  138.922   0.0000   0.0000  1537.06  138.922  ?   ?   154.055   7.1010      ?      ? 
1 1 1   38    2   20 o  102.470   7.3671  736.689   89.811  964.508  123.004  476.553  131.439  121.377   7.9800   83.562   12.386 37.81461 14.73418 
1 1 1   38    2   21 o  151.036   5.1053  1493.58   97.896  1537.19  140.240  1452.13  136.718  153.193   7.2087  148.879   7.2313 4.313187 10.21059 
1 1 1   38    2   22 o   33.655   10.385   4.0361   86.471   63.293  119.157 -61.8865  125.680   37.270   15.425   30.040   13.909 7.229837 20.76965 
1 1 1   38    4    0 o  195.292   3.9436  2430.23   97.635  2573.66  137.352  2283.73  138.812  201.139   5.3773  189.444   5.7699 11.69479 7.887116 
1 1 1   38    4    1 o  279.200   3.6393  4940.22  128.792  4649.83  175.770  5276.88  189.255  270.376   5.1192  288.025   5.1742 -17.64883 7.278590 
1 1 1   38    4    2 o  176.236   4.1288  1974.43   91.778  1957.20  122.590  1996.41  138.438  175.385   5.5041  177.087   6.1559 -1.702133 8.257694 
1 1 1   38    4    3 o   86.052   7.1905  478.647   75.718  493.455   95.954  454.209  123.268   87.924   8.5936   84.179   11.531 3.745399 14.38109 
1 1 1   38    4    4 o  178.816   4.0998  2020.47   92.420  1919.84  122.310  2154.40  141.097  173.684   5.5453  183.949   6.0401 -10.26529 8.199580 
1 1 1   38    4    5 o   99.719   6.4105  666.163   77.306  814.634  103.431  478.251  116.361  113.036   7.2054   86.403   10.605 26.63303 12.82107 
1 1 1   38    4    6 o  118.850   5.1891  893.174   77.892  776.520  105.209  1034.68  115.874  110.323   7.5094  127.376   7.1635 -17.05241 10.37817 
1 1 1   38    4    7 o  177.703   3.8579  2020.73   86.345  2101.70  116.333  1921.40  128.842  181.722   5.0410  173.683   5.8415 8.038666 7.715864 
1 1 1   38    4    8 o  301.921   4.7137  5669.58  159.056  5517.21  184.092  6118.27  315.904  294.418   4.9237  309.424   8.0394 -15.00537 9.427358 
1 1 1   38    4    9 o   82.971   7.2227  447.096   74.928  530.856  105.265  361.074  106.677   91.033   9.1055   74.908   11.214 16.12544 14.44533 
1 1 1   38    4   10 o  162.321   4.3723  1674.69   89.868  1865.00  130.924  1505.13  123.579  171.029   6.0280  153.612   6.3349 17.41719 8.744586 
1 1 1   38    4   11 o  411.135   5.9110 10778.78  308.620 10778.78  308.620   0.0000   0.0000  411.135   5.9110  ?   ?       ?      ? 
1 1 1   38    4   12 o   93.228   7.6861  566.665   89.866  650.007  124.954  477.370  129.339  100.544   9.7863   85.913   11.855 14.63065 15.37227 
1 1 1   38    4   13 f  199.246   4.1469  2528.70  104.541  2483.32  141.331  2583.53  155.346  197.312   5.6403  201.180   6.0805 -3.867996 8.293720 
1 1 1   38    4   14 o  140.522   5.2158  1242.42   92.054  1120.08  119.818  1418.65  143.808  132.270   7.1332  148.774   7.6116 -16.50392 10.43162 
1 1 1   38    4   15 o  266.731   3.8772  4547.69  131.195  4671.69  183.107  4416.88  188.069  270.513   5.3301  262.949   5.6321 7.563293 7.754392 
1 1 1   38    4   16 o  331.126   3.8293  6985.44  160.434  6751.58  216.355  7271.13  239.128  325.059   5.2411  337.192   5.5844 -12.13235 7.658651 
1 1 1   38    4   17 o  217.236   4.0789  3031.09  112.114  3108.41  153.358  2942.31  164.316  220.317   5.4813  214.155   6.0419 6.162201 8.157754 
1 1 1   38    4   18 f  105.960   6.5304  724.494   86.873  671.357  113.104  800.942  135.664  101.438   8.7801  110.481   9.6693 -9.043373 13.06086 
1 1 1   38    4   20 o  145.217   4.7964  1363.80   87.864  1300.35  116.648  1447.01  133.583  141.487   6.4921  148.946   7.0623 -7.458969 9.592865 
1 1 1   38    4   21 f  156.487   4.7201  1584.48   93.291  1403.98  124.916  1812.13  140.286  146.490   6.7148  166.484   6.6354 -19.99397 9.440124 
1 1 1   38    4   22 o  143.685   10.935  1440.01  199.532   0.0000   0.0000  1440.01  199.532  ?   ?   143.685   10.935      ?      ? 
1 1 1   38    6    0 o  309.231   3.8091  6065.20  148.658  5917.38  198.388  6254.48  224.493  304.980   5.1223  313.483   5.6391 -8.502686 7.618258 
1 1 1   38    6    1 o  265.636   3.8368  4497.46  128.787  4564.81  174.398  4416.67  190.996  267.858   5.1269  263.413   5.7097 4.445221 7.673699 
1 1 1   38    6    2 o   71.779   8.9992  331.121   78.027  313.039   98.565  361.474  127.702   69.876   11.108   73.682   14.162 -3.805832 17.99843 
1 1 1   38    6    3 o   46.059   10.357  100.407   76.715  -2.5758  101.149  239.864  117.706   32.351   13.841   59.766   15.410 -27.41529 20.71317 
1 1 1   38    6    4 o  203.475   4.1562  2626.36  106.463  2561.29  140.768  2713.32  162.732  200.577   5.5264  206.373   6.2093 -5.795593 8.312422 
1 1 1   38    6    5 o   72.357   9.4978  329.116   83.718  174.680  108.394  557.436  131.796   51.549   15.386   93.165   11.140 -41.61644 18.99563 
1 1 1   38    6    6 o   49.154   10.922  116.688   82.948   16.929  105.994  274.314  133.235   34.608   14.454   63.700   16.379 -29.09189 21.84461 
1 1 1   38    6    7 o  148.673   4.8703  1417.23   91.114  1466.44  122.186  1355.59  136.751  151.650   6.3445  145.696   7.3910 5.953995 9.740669 
1 1 1   38    6    8 o  246.545   5.2631  3871.44  164.785  3871.44  164.785   0.0000   0.0000  246.545   5.2631  ?   ?       ?      ? 
1 1 1   38    6    9 o  413.602   5.9661 10907.30  313.366 10907.30  313.366   0.0000   0.0000  413.602   5.9661  ?   ?       ?      ? 
1 1 1   38    6   10 o  163.210   7.1084  1773.54  130.543  1851.71  154.584  1579.20  243.739  170.215   7.1514  156.204   12.287 14.01074 14.21682 
1 1 1   38    6   11 f  105.994   6.4186  722.196   85.164  726.717  111.651  715.906  131.697  106.492   8.2559  105.496   9.8301 0.9959106 12.83714 
1 1 1   38    6   12 o  171.612   4.5382  1888.89   97.919  1939.44  130.651  1824.10  147.905  174.322   5.9018  168.902   6.8955 5.419968 9.076306 
1 1 1   38    6   13 o   46.181   10.860  108.923   78.352   34.067  100.771  223.360  124.596   35.095   14.317   57.268   16.333 -22.17321 21.71968 
1 1 1   38    6   14 o  152.629   5.0436  1494.04   96.808  1495.57  128.348  1492.02  147.443  152.824   6.6133  152.434   7.6167 0.3908539 10.08712 
1 1 1   38    6   15 o  201.709   4.2174  2628.07  106.373  2757.76  140.862  2455.96  162.266  207.716   5.3401  195.702   6.5291 12.01361 8.434774 
1 1 1   38    6   16 o  157.179   5.0958  1621.17   98.707  1734.67  128.004  1454.68  155.033  164.408   6.1309  149.951   8.1414 14.45703 10.19169 
1 1 1   38    6   17 o   25.829   8.7750 -168.4497   85.641 -90.5275  107.906 -301.0765  140.776   27.122   12.669   24.536   12.145 2.585266 17.54998 
1 1 1   38    6   19 o   35.442   10.342   8.2804   79.104 -69.3779  102.632  121.929  124.157   26.988   12.521   43.896   16.465 -16.90820 20.68480 
1 1 1   38    6   20 o  123.767   8.1476  1057.02  128.042  1067.26  180.304  1046.60  181.863  124.471   11.407  123.064   11.637 1.406693 16.29511 
1 1 1   38    6   21 o   72.829   11.691  431.863  118.754  183.531  167.668  681.838  168.221   48.981   18.947   96.677   13.702 -47.69617 23.38242 
1 1 1   38    8    0 o  106.565   6.5388  713.290   86.946  659.861  111.354  796.739  139.164  101.600   8.6305  111.531   9.8255 -9.930992 13.07764 
1 1 1   38    8    1 o  173.411   4.7043  1901.28  101.217  1845.01  129.102  1991.04  163.054  170.178   5.9738  176.643   7.2687 -6.465546 9.408553 
1 1 1   38    8    2 o  278.024   3.9194  4936.29  137.361  5042.62  184.547  4804.22  205.681  281.445   5.1634  274.604   5.8981 6.841644 7.838876 
1 1 1   38    8    3 o  212.370   4.2484  2867.80  113.046  2835.73  147.871  2912.90  175.365  211.004   5.5184  213.735   6.4609 -2.730377 8.496799 
1 1 1   38    8    4 o  288.691   3.8963  5300.48  141.215  5253.89  185.798  5364.19  217.299  287.259   5.0932  290.123   5.8979 -2.864746 7.792677 
1 1 1   38    8    5 o  166.865   4.7980  1782.45  100.671  1818.62  134.093  1735.72  152.396  168.875   6.2526  164.856   7.2793 4.019196 9.596049 
1 1 1   38    8    6 o  147.002   5.5901  1386.09  103.169  1410.90  136.719  1353.29  157.227  148.618   7.2441  145.386   8.5158 3.231888 11.18013 
1 1 1   38    8    8 o   44.081   12.432   71.413  104.904   96.444  137.799   36.910  161.784   45.108   17.247   43.053   17.909 2.054829 24.86305 
1 1 1   38    8    9 o  134.938   6.2329  1181.18  102.946  1219.75  130.593  1117.86  167.312  138.081   7.4475  131.794   9.9966 6.286880 12.46584 
1 1 1   38    8   10 o   34.759   10.763 -22.7448   87.494 -34.7983  110.036  -2.0217  144.279   31.252   13.876   38.266   16.456 -7.014828 21.52523 
1 1 1   38    8   11 o  155.107   5.3044  1520.38  100.241  1468.91  124.276  1616.22  169.587  151.585   6.4558  158.630   8.4184 -7.045242 10.60885 
1 1 1   38    8   12 o   94.021   12.307  378.338  106.399  295.394  113.060  1020.71  314.635   65.865   13.951  122.178   20.279 -56.31245 24.61397 
1 1 1   38    8   13 o   93.578   7.6614  550.222   87.188  505.266  106.956  639.271  150.530   88.341   9.5338   98.814   11.996 -10.47320 15.32284 
1 1 1   38    8   14 o   75.856   10.331  480.071   89.101  618.036  108.271  190.578  156.837   97.700   8.7264   54.011   18.729 43.68911 20.66240 
1 1 1   38    8   15 o   46.449   11.260  137.843   88.677  210.608  108.639  -7.4303  153.502   54.744   15.125   38.154   16.684 16.59058 22.51930 
1 1 1   38    8   16 o  123.404   6.7667  1043.96  100.145  1374.26  138.582  682.955  144.881  145.547   7.4977  101.261   11.267 44.28586 13.53334 
1 1 1   38    8   17 o   41.995   11.584   35.853  108.058  205.464  142.871 -190.8583  165.179   53.296   17.890   30.693   14.720 22.60316 23.16727 
1 1 1   38    8   18 o   70.656   11.940  351.700   88.411  337.600   97.881  414.177  206.036   70.586   10.920   70.726   21.237 -0.1397552 23.87940 
1 1 1   38   10    0 o  165.404   5.2530  1729.06  107.712  1664.63  136.967  1833.49  174.374  161.508   6.6780  169.301   8.1105 -7.792923 10.50595 
1 1 1   38   10    2 o   72.424   11.240  384.301  104.735  530.120  136.391  174.750  163.503   90.628   11.851   54.220   19.103 36.40833 22.48037 
1 1 1   38   10    4 o  119.563   12.123  924.816  184.074   0.0000   0.0000  924.816  184.074  ?   ?   119.563   12.123      ?      ? 
1 1 1   38   10    5 o  105.446   7.9969  720.981  103.440  730.170  130.936  705.724  168.716  106.578   9.6741  104.313   12.736 2.265450 15.99375 
1 1 1   38   10    6 o  165.846   5.0629  1750.94  105.318  1710.42  137.796  1807.86  163.321  163.631   6.6312  168.060   7.6524 -4.428696 10.12584 
1 1 1   38   10    7 o  266.196   4.1932  4541.94  139.723  4644.65  183.954  4401.89  214.812  269.891   5.3671  262.500   6.4440 7.390991 8.386340 
1 1 1   38   10    8 o  198.385   4.6858  2540.99  114.298  2620.86  145.857  2413.91  183.987  202.648   5.6677  194.121   7.4634 8.527145 9.371537 
1 1 1   38   10    9 o   71.237   10.688  288.903   97.714  126.427  119.991  608.793  168.365   46.158   16.354   96.316   13.765 -50.15752 21.37584 
1 1 1   38   10   10 f  338.604   4.1498  7308.73  174.316  7233.22  223.257  7426.66  278.996  336.608   5.2228  340.600   6.4502 -3.992035 8.299582 
1 1 1   38   10   11 o   77.178   10.081  396.506   92.253  383.174  114.018  421.777  156.983   76.489   11.738   77.868   16.394 -1.378677 20.16263 
1 1 1   38   10   12 o  213.601   4.4919  2940.25  116.560  2970.25  145.523  2886.56  194.688  215.469   5.3183  211.733   7.2406 3.735733 8.983855 
1 1 1   38   10   13 o   99.493   7.9416  658.844   94.527  669.868  116.467  637.567  161.808  101.398   9.0448   97.588   13.056 3.809952 15.88326 
1 1 1   38   10   14 o  128.184   7.3021  1102.85  116.364  1196.80  154.384  979.271  177.066  135.213   8.9909  121.154   11.509 14.05917 14.60423 
1 1 1   38   10   15 o  232.945   6.6894  3763.83  186.704  4409.88  242.954  2832.02  291.778  260.395   7.3471  205.494   11.181 54.90050 13.37876 
1 1 1   38   12    0 o  239.514   4.9716  3588.88  146.371  3371.78  182.759  3977.24  244.439  229.803   6.2625  249.226   7.7232 -19.42332 9.943181 
1 1 1   38   12    1 o  176.414   5.6087  1983.11  122.521  1945.38  156.096  2043.67  197.738  174.409   7.0477  178.420   8.7270 -4.011459 11.21744 
1 1 1   38   12    2 o  173.194   8.5085  1925.37  187.139   0.0000   0.0000  1925.37  187.139  ?   ?   173.194   8.5085      ?      ? 
1 1 1   38   12    3 o  168.900   5.3603  1771.74  112.139  1592.36  141.069  2079.69  184.830  157.746   7.0420  180.054   8.0834 -22.30835 10.72057 
1 1 1   38   12    4 f   96.554   8.3332  577.816   99.761  453.973  126.784  779.150  161.654   83.564   11.947  109.544   11.620 -25.97978 16.66644 
1 1 1   38   12    5 o  125.082   7.0609  963.952  106.090  875.175  128.090  1157.89  189.320  116.617   8.6492  133.546   11.163 -16.92908 14.12179 
1 1 1   38   12    6 o   85.276   10.290  525.862   99.668  609.229  124.711  378.481  165.816   96.990   10.125   73.562   17.916 23.42783 20.57934 
1 1 1   38   12    7 o  112.606   7.5316  849.297  101.293  907.268  126.412  745.310  169.307  118.643   8.3901  106.569   12.510 12.07403 15.06320 
1 1 1   38   12    8 o   97.177   8.3297  596.580   98.551  543.521  120.961  701.335  169.963   91.331   10.429  103.023   12.991 -11.69228 16.65937 
1 1 1   38   12    9 o   97.472   9.3437  628.539  115.276  702.438  169.840  565.416  156.971  102.824   13.007   92.120   13.418 10.70316 18.68736 
1 1 1   38   12   10 o  104.983   19.003  799.985  144.469  789.599  148.837  969.189  600.758  109.552   10.698  100.415   36.468 9.137154 38.00502 
1 1 1   38   12   11 o   66.606   16.800  328.295  155.060  349.503  166.679  191.901  422.705   68.676   18.636   64.537   27.959 4.138680 33.60069 
1 1 1   38   12   12 o   71.471   14.632   13.403  180.880 -371.2010  212.554  1023.20  344.412   31.226   15.355  111.716   24.911 -80.49023 29.26311 
1 1 1   38   12   13 o   46.335   13.763 -199.6007  135.932 -390.3318  156.299  392.525  275.392   24.216   12.116   68.455   24.717 -44.23898 27.52675 
1 1 1   38   14    0 o   55.462   11.740  220.121   88.881  255.235  105.809  135.949  163.820   60.968   13.966   49.957   18.875 11.01145 23.48035 
1 1 1   38   14    1 o  173.708   5.6055  1965.61  107.988  1989.80  125.746  1897.65  210.774  176.385   5.6138  171.032   9.7042 5.352859 11.21101 
1 1 1   38   14    2 o  101.537   8.5378  639.778  104.064  569.094  125.297  796.960  186.846   93.414   10.562  109.661   13.417 -16.24667 17.07551 
1 1 1   38   14    3 o  255.271   5.5422  4170.56  179.666  4170.56  179.666   0.0000   0.0000  255.271   5.5422  ?   ?       ?      ? 
1 1 1   38   14    4 o  265.013   5.3129  4494.70  178.803  4494.70  178.803   0.0000   0.0000  265.013   5.3129  ?   ?       ?      ? 
1 1 1   38   14    5 o   94.998   9.6557  589.353  116.486  589.353  116.486   0.0000   0.0000   94.998   9.6557  ?   ?       ?      ? 
1 1 1   38   14    6 o  107.913   8.5869  757.829  117.676  757.829  117.676   0.0000   0.0000  107.913   8.5869  ?   ?       ?      ? 
1 1 1   38   14    7 o  167.280   6.3145  1803.45  134.140  1803.45  134.140   0.0000   0.0000  167.280   6.3145  ?   ?       ?      ? 
1 1 1   38   14    8 o  ?   ?  -844.7587  117.646 -844.7587  117.646   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   38   14    9 o  273.269   5.5017  4808.35  190.927  4808.35  190.927   0.0000   0.0000  273.269   5.5017  ?   ?       ?      ? 
1 1 1   38   14   10 o  117.745   8.1962  911.446  122.556  911.446  122.556   0.0000   0.0000  117.745   8.1962  ?   ?       ?      ? 
1 1 1   38   14   11 o   63.346   14.586  296.161  114.910  296.161  114.910   0.0000   0.0000   63.346   14.586  ?   ?       ?      ? 
1 1 1   38   16    1 o  129.403   9.3283  1103.30  153.295  1103.30  153.295   0.0000   0.0000  129.403   9.3283  ?   ?       ?      ? 
1 1 1   38   16    2 o  244.597   6.1993  3864.58  192.563  3864.58  192.563   0.0000   0.0000  244.597   6.1993  ?   ?       ?      ? 
1 1 1   38   16    3 f   24.190   11.955 -272.2894  134.509 -272.2894  134.509   0.0000   0.0000   24.190   11.955  ?   ?       ?      ? 
1 1 1   38   16    4 o   62.760   15.884  292.176  126.705  292.176  126.705   0.0000   0.0000   62.760   15.884  ?   ?       ?      ? 
1 1 1   38   16    5 o   49.878   16.417  181.916  120.460  181.916  120.460   0.0000   0.0000   49.878   16.417  ?   ?       ?      ? 
1 1 1   38   16    6 o   86.408   11.459  511.347  125.738  511.347  125.738   0.0000   0.0000   86.408   11.459  ?   ?       ?      ? 
1 1 1   38   16    7 o   44.832   16.041  141.984  115.711  141.984  115.711   0.0000   0.0000   44.832   16.041  ?   ?       ?      ? 
1 1 1   38   16    8 o   76.197   12.275  408.427  118.776  408.427  118.776   0.0000   0.0000   76.197   12.275  ?   ?       ?      ? 
1 1 1   38   18    0 o   55.770   17.800  253.438  142.244  253.438  142.244   0.0000   0.0000   55.770   17.800  ?   ?       ?      ? 
1 1 1   38   18    1 o   48.107   18.158  176.085  151.510  176.085  151.510   0.0000   0.0000   48.107   18.158  ?   ?       ?      ? 
1 1 1   38   18    2 o   46.860   17.801  165.601  146.194  165.601  146.194   0.0000   0.0000   46.860   17.801  ?   ?       ?      ? 
1 1 1   39    1    0 o  149.797   6.4543  1428.62  122.780   0.0000   0.0000  1428.62  122.780  ?   ?   149.797   6.4543      ?      ? 
1 1 1   39    1    1 o  138.803   4.8847  1227.55   86.018  1218.96  124.188  1235.46  119.257  138.326   7.0696  139.280   6.7424 -0.9540863 9.769341 
1 1 1   39    1    2 o  148.742   4.7019  1414.94   87.920  1454.14  117.280  1364.65  132.846  151.139   6.1104  146.346   7.1481 4.793091 9.403839 
1 1 1   39    1    3 o   74.225   8.2256  348.740   74.798  283.367   97.680  441.412  116.300   65.432   12.204   83.018   11.031 -17.58652 16.45117 
1 1 1   39    1    4 o  101.055   6.7865  672.754   84.440  532.087  126.508  785.776  113.397   91.135   10.931  110.975   8.0464 -19.84030 13.57308 
1 1 1   39    1    5 o   84.604   6.6753  465.112   70.255  504.043   93.061  413.520  107.128   88.857   8.2470   80.350   10.499 8.507278 13.35056 
1 1 1   39    1    6 o  300.188   3.5725  5733.91  136.184  5761.40  193.777  5707.09  191.430  300.896   5.0712  299.480   5.0334 1.416534 7.145078 
1 1 1   39    1    7 o  137.600   4.6298  1208.23   80.806  1148.94  114.839  1266.37  113.722  134.237   6.7366  140.963   6.3527 -6.725906 9.259533 
1 1 1   39    1    8 o  151.009   4.3439  1452.40   83.266  1514.28  119.351  1393.72  116.224  154.145   6.0971  147.873   6.1891 6.271759 8.687892 
1 1 1   39    1    9 o  164.781   4.3550  1731.00   91.127  1723.23  128.011  1738.98  129.751  164.409   6.1312  165.153   6.1865 -0.7433777 8.710025 
1 1 1   39    1   11 o  388.377   5.6812  9615.55  280.204  9615.55  280.204   0.0000   0.0000  388.377   5.6812  ?   ?       ?      ? 
1 1 1   39    1   12 o  140.046   5.2740  1261.53   92.363  1297.92  121.538  1211.79  142.102  142.547   6.7139  137.545   8.1354 5.001694 10.54801 
1 1 1   39    1   13 o  348.972   3.7905  7757.80  167.846  7604.59  231.879  7926.43  243.270  345.375   5.2868  352.568   5.4333 -7.192780 7.580983 
1 1 1   39    1   14 o  264.619   3.6470  4469.60  122.428  4581.52  170.712  4351.08  175.672  268.064   5.0147  261.174   5.2966 6.890259 7.293926 
1 1 1   39    1   15 o  120.630   5.8982  935.762   90.324  914.458  125.726  958.485  129.848  119.219   8.3043  122.041   8.3782 -2.821838 11.79642 
1 1 1   39    1   16 o  227.299   3.9150  3306.44  112.912  3438.79  158.963  3171.66  160.411  231.934   5.3970  222.665   5.6729 9.269058 7.830031 
1 1 1   39    1   17 o  252.182   3.7883  4071.74  121.240  4079.20  168.503  4063.74  174.578  252.460   5.2558  251.904   5.4573 0.5565338 7.576613 
1 1 1   39    1   18 o  175.334   4.2832  1981.71   95.159  1847.73  135.401  2112.46  133.764  169.376   6.2950  181.293   5.8100 -11.91763 8.566388 
1 1 1   39    1   19 o  235.386   4.2747  3570.31  127.643  3346.71  177.193  3811.50  184.030  227.684   6.1282  243.088   5.9614 -15.40381 8.549483 
1 1 1   39    1   20 o  117.384   6.1520  914.410   91.267  1008.77  128.654  818.819  129.492  123.771   8.1852  110.997   9.1866 12.77404 12.30408 
1 1 1   39    1   21 o  146.543   5.1061  1414.36   94.586  1385.56  139.708  1438.74  128.522  144.897   7.5925  148.188   6.8295 -3.291122 10.21212 
1 1 1   39    3    0 o   56.851   12.345  204.180   93.335  225.643  163.676  193.838  113.619   59.500   19.105   54.202   15.640 5.298164 24.69033 
1 1 1   39    3    1 o  264.118   3.7682  4436.48  126.283  4399.26  174.684  4477.24  182.772  262.967   5.2309  265.269   5.4256 -2.301331 7.536501 
1 1 1   39    3    2 o  233.393   3.7362  3453.49  110.269  3340.62  148.268  3593.18  164.949  229.157   5.0949  237.628   5.4661 -8.470932 7.472363 
1 1 1   39    3    3 o  218.598   3.6906  3038.08  101.887  3018.59  136.876  3062.30  152.579  217.835   4.9479  219.361   5.4772 -1.526031 7.381145 
1 1 1   39    3    4 o  108.669   5.7305  748.232   78.581  638.906  106.671  877.960  116.199  100.031   8.3972  117.306   7.8002 -17.27468 11.46105 
1 1 1   39    3    5 o  126.357   4.8089  1018.41   77.073  1033.41  106.898  1002.17  111.227  127.340   6.6104  125.374   6.9859 1.965721 9.617725 
1 1 1   39    3    6 o   46.084   10.296  133.598   70.328  183.504   95.959   75.684  103.372   52.403   14.107   39.765   15.001 12.63793 20.59236 
1 1 1   39    3    7 o  125.419   5.1789  1003.89   82.477  983.345  116.046  1024.87  117.245  124.119   7.3623  126.719   7.2857 -2.600159 10.35788 
1 1 1   39    3    8 o  181.430   3.9581  2098.92   91.107  2182.18  127.996  2013.40  129.712  185.097   5.4453  177.764   5.7459 7.333450 7.916211 
1 1 1   39    3    9 o   94.981   6.3931  578.341   77.068  565.251  110.012  590.955  107.998   93.908   9.2249   96.055   8.8536 -2.147011 12.78614 
1 1 1   39    3   10 o  304.958   5.5901  5926.82  216.491   0.0000   0.0000  5926.82  216.491  ?   ?   304.958   5.5901      ?      ? 
1 1 1   39    3   11 o  263.198   3.9021  4419.66  129.756  4454.49  175.259  4377.41  193.031  264.401   5.2196  261.995   5.8017 2.405518 7.804131 
1 1 1   39    3   12 o   78.519   8.3317  410.064   79.422  442.431  105.414  367.567  120.790   82.904   10.012   74.134   13.320 8.770401 16.66343 
1 1 1   39    3   13 o  147.485   7.1601  1391.95  134.105   0.0000   0.0000  1391.95  134.105  ?   ?   147.485   7.1601      ?      ? 
1 1 1   39    3   14 o  143.333   5.0509  1316.99   91.770  1329.92  126.386  1302.57  133.466  144.119   6.9056  142.547   7.3729 1.572556 10.10181 
1 1 1   39    3   15 o  106.477   6.8643  730.347   91.977  603.978  125.665  876.152  134.984   96.486   10.256  116.468   9.1264 -19.98233 13.72859 
1 1 1   39    3   16 o  174.896   4.4283  1932.00   97.302  1771.92  126.843  2160.88  151.673  166.294   6.0063  183.497   6.5088 -17.20290 8.856675 
1 1 1   39    3   17 o  161.376   4.6337  1675.66   94.054  1674.24  124.716  1677.53  143.218  161.445   6.0831  161.306   6.9915 0.1387177 9.267388 
1 1 1   39    3   18 o   45.794   11.137  134.955   81.933  192.677  112.793   70.473  119.215   52.055   15.731   39.533   15.768 12.52259 22.27371 
1 1 1   39    3   19 o   45.468   11.224  125.261   87.397   23.714  125.412  221.135  121.859   36.111   15.430   54.825   16.303 -18.71380 22.44702 
1 1 1   39    3   20 o   41.644   11.166  107.213   82.346  134.361  109.623   72.057  124.748   44.105   15.631   39.183   15.951 4.921909 22.33286 
1 1 1   39    3   21 o   48.111   11.233  166.256   88.439  269.861  122.840   54.763  127.430   58.794   16.017   37.428   15.754 21.36618 22.46609 
1 1 1   39    5    0 o  234.691   3.8838  3497.09  115.070  3432.50  153.928  3578.92  173.247  232.266   5.2186  237.116   5.7534 -4.849945 7.767629 
1 1 1   39    5    1 o  138.489   5.1347  1227.42   87.932  1243.60  112.641  1202.16  140.698  139.729   6.3479  137.249   8.0724 2.480515 10.26932 
1 1 1   39    5    2 o   68.801   9.5955  312.872   80.292  296.202  106.340  334.979  122.458   66.737   13.015   70.865   14.103 -4.128670 19.19102 
1 1 1   39    5    3 o  135.275   5.3149  1154.24   90.749  1046.77  120.550  1294.80  137.863  128.099   7.4104  142.450   7.6209 -14.35127 10.62979 
1 1 1   39    5    4 o  246.856   3.9011  3854.88  121.276  3698.14  160.095  4065.93  185.776  241.040   5.2301  252.672   5.7897 -11.63263 7.802198 
1 1 1   39    5    5 o  316.441   3.7967  6394.24  151.828  6591.23  206.722  6163.53  223.719  321.797   5.0586  311.086   5.6630 10.71127 7.593315 
1 1 1   39    5    6 o  278.982   3.6773  4968.29  129.819  5138.16  178.178  4776.08  189.530  284.116   4.9383  273.849   5.4499 10.26694 7.354513 
1 1 1   39    5    7 o  450.635   4.2363 12945.23  242.294 12981.22  337.319 12906.86  348.252  451.313   5.8855  449.958   6.0946 1.354828 8.472511 
1 1 1   39    5   10 o  139.026   5.7146  1231.97   99.789  997.969  136.233  1502.87  146.579  124.769   8.5980  153.282   7.5301 -28.51291 11.42930 
1 1 1   39    5   11 o  245.030   3.8562  3835.76  119.543  3928.97  163.333  3728.23  175.434  248.292   5.1800  241.769   5.7139 6.522903 7.712448 
1 1 1   39    5   12 o   30.952   9.9084 -62.8561   84.261 -23.4394  109.776 -119.3830  131.460   31.954   14.037   29.951   13.988 2.002981 19.81686 
1 1 1   39    5   13 o  132.692   5.6622  1139.52   93.706  1183.45  122.951  1078.63  144.740  135.921   7.1230  129.463   8.8038 6.458511 11.32448 
1 1 1   39    5   14 f  100.480   7.3932  651.057   92.767  632.791  119.984  678.203  146.271   98.920   9.5513  102.041   11.288 -3.121658 14.78648 
1 1 1   39    5   15 o   99.524   7.3158  632.190   91.102  572.731  117.283  722.644  144.656   93.867   9.8388  105.182   10.830 -11.31435 14.63165 
1 1 1   39    5   16 o   28.943   9.3744 -74.8702   79.754 -19.1329  105.062 -150.6687  122.519   31.059   13.686   26.827   12.815 4.231388 18.74880 
1 1 1   39    5   17 o  130.472   5.8380  1108.36   96.635  1105.97  133.705  1110.96  139.825  130.395   8.0743  130.548   8.4341 -0.1520386 11.67599 
1 1 1   39    5   19 o   53.417   11.068  217.856   86.081  293.615  112.829  112.348  133.152   63.418   14.345   43.415   16.859 20.00281 22.13671 
1 1 1   39    5   20 o   29.429   9.4870 -50.1270   80.771   6.7303  104.272 -135.4248  127.715   31.614   13.789   27.244   13.033 4.370491 18.97400 
1 1 1   39    7    0 o  134.803   5.5035  1137.92   93.299  989.994  122.307  1343.81  144.292  124.530   7.7339  145.076   7.8319 -20.54625 11.00692 
1 1 1   39    7    1 o  318.759   3.8739  6496.46  155.904  6765.90  212.143  6180.07  229.887  326.031   5.1238  311.488   5.8116 14.54318 7.747777 
1 1 1   39    7    2 o   34.489   10.488 -30.9458   83.592 -86.7443  107.834   53.075  132.324   27.927   12.914   41.050   16.529 -13.12300 20.97557 
1 1 1   39    7    3 o  136.913   5.1394  1194.46   88.660  1179.95  117.899  1213.35  134.504  136.000   6.8264  137.826   7.6847 -1.825333 10.27886 
1 1 1   39    7    4 o   80.497   8.2830  411.384   83.529  383.142  108.132  453.173  131.533   77.186   11.032   83.808   12.359 -6.622833 16.56598 
1 1 1   39    7    5 o   87.686   8.6188  489.682   94.669  388.001  126.872  617.419  142.201   77.465   12.897   97.907   11.437 -20.44209 17.23758 
1 1 1   39    7    6 o  144.540   5.7600  1348.06  104.783  1505.84  145.352  1177.36  151.191  153.509   7.4561  135.571   8.7817 17.93796 11.52006 
1 1 1   39    7    7 o  461.420   6.5192 13588.23  382.006   0.0000   0.0000 13588.23  382.006  ?   ?   461.420   6.5192      ?      ? 
1 1 1   39    7    8 o  253.676   5.9483  4104.81  191.625  4104.81  191.625   0.0000   0.0000  253.676   5.9483  ?   ?       ?      ? 
1 1 1   39    7    9 o  215.582   4.4045  2991.05  118.315  3105.22  154.861  2830.96  183.375  220.685   5.5258  210.479   6.8605 10.20633 8.809095 
1 1 1   39    7   10 o  159.975   5.0455  1637.38  101.170  1638.64  132.859  1635.65  156.081  160.144   6.5329  159.806   7.6909 0.3382416 10.09102 
1 1 1   39    7   11 o  194.492   4.4129  2397.72  107.043  2318.39  137.864  2518.15  169.858  190.576   5.6964  198.407   6.7414 -7.830948 8.825878 
1 1 1   39    7   12 o  122.204   6.2791  974.694   94.033  1013.73  119.776  911.974  151.813  125.690   7.5039  118.718   10.070 6.972054 12.55814 
1 1 1   39    7   13 o  237.898   3.9694  3633.27  118.427  3720.29  156.744  3517.53  180.778  241.369   5.1137  234.427   6.0724 6.941376 7.938729 
1 1 1   39    7   14 o  217.907   4.1621  3038.37  112.013  3025.47  142.581  3059.17  181.038  217.529   5.1614  218.284   6.5308 -0.7552795 8.324183 
1 1 1   39    7   15 o  188.348   4.6806  2290.24  108.433  2310.12  137.624  2257.70  176.082  189.759   5.7110  186.936   7.4172 2.822968 9.361153 
1 1 1   39    7   16 o  174.249   6.3749  1958.47  141.066  1958.47  141.066   0.0000   0.0000  174.249   6.3749  ?   ?       ?      ? 
1 1 1   39    7   17 o   23.366   11.655 -444.1413   99.832 -557.8130  142.608 -334.9007  139.801  ?   ?    23.366   11.655      ?      ? 
1 1 1   39    7   18 o   46.183   11.388  146.787   80.169  133.363  101.647  168.881  130.404   43.820   15.085   48.545   17.064 -4.724632 22.77582 
1 1 1   39    7   19 o  145.481   7.3020  1442.50  134.897  1458.55  191.896  1426.83  189.669  146.277   10.330  144.685   10.323 1.592224 14.60391 
1 1 1   39    9    0 o  158.441   4.9024  1616.15   96.605  1676.12  125.925  1530.36  150.604  162.137   6.1158  154.745   7.6638 7.392120 9.804879 
1 1 1   39    9    1 f   50.530   11.566  165.090   87.068  208.614  110.824   94.904  140.732   55.694   15.231   45.366   17.409 10.32751 23.13143 
1 1 1   39    9    2 o  134.609   8.3302  1159.74  142.399  1159.74  142.399   0.0000   0.0000  134.609   8.3302  ?   ?       ?      ? 
1 1 1   39    9    5 o   92.698   9.3598  579.839  103.518  638.265  134.811  495.889  161.595   99.525   10.666   85.871   15.384 13.65442 18.71964 
1 1 1   39    9    6 o   82.852   9.2398  454.946   93.695  473.880  124.770  430.462  141.883   85.631   11.474   80.072   14.486 5.558517 18.47969 
1 1 1   39    9    7 o  132.721   6.1904  1114.74  102.785  1043.89  132.669  1221.14  162.568  127.610   8.1866  137.832   9.2877 -10.22211 12.38071 
1 1 1   39    9    8 o  203.089   4.4746  2633.12  113.245  2624.90  146.578  2645.30  178.365  202.815   5.6910  203.362   6.9066 -0.5473938 8.949218 
1 1 1   39    9    9 o  288.778   4.0619  5343.36  145.297  5410.67  186.660  5239.88  231.452  291.279   5.0462  286.277   6.3664 5.001038 8.123773 
1 1 1   39    9   10 o  150.128   5.5309  1465.08   99.924  1504.31  123.992  1392.39  168.773  153.323   6.3680  146.932   9.0450 6.390747 11.06182 
1 1 1   39    9   11 o  131.201   6.1583  1083.90  100.496  985.152  127.604  1245.20  163.081  123.665   8.1253  138.736   9.2563 -15.07153 12.31662 
1 1 1   39    9   12 f  215.507   5.0844  2987.35  138.989  3185.61  198.661  2797.27  194.525  222.572   7.0285  208.442   7.3487 14.12955 10.16878 
1 1 1   39    9   13 o   92.063   8.6997  519.724   96.331  436.524  115.754  707.157  173.738   81.358   11.204  102.767   13.313 -21.40906 17.39950 
1 1 1   39    9   14 o   58.762   11.965  261.215  100.220  337.927  126.863  133.866  163.456   69.042   14.906   48.482   18.721 20.55997 23.93003 
1 1 1   39    9   15 o  362.746   8.0983  8595.74  373.057  8595.74  373.057   0.0000   0.0000  362.746   8.0983  ?   ?       ?      ? 
1 1 1   39    9   16 o   55.645   12.941  242.551  111.468  301.305  134.758  115.246  198.361   63.307   16.569   47.984   19.884 15.32358 25.88253 
1 1 1   39   11    0 o  161.883   5.9058  1692.22  117.835  1734.56  150.673  1625.55  189.079  164.703   7.2037  159.063   9.3605 5.640366 11.81151 
1 1 1   39   11    1 o  150.389   5.9097  1450.63  110.832  1453.66  143.874  1446.20  173.816  150.720   7.5168  150.059   9.1212 0.6615295 11.81942 
1 1 1   39   11    2 o  103.922   7.9959  718.180  101.877  799.536  133.132  603.220  158.256  111.515   9.4009   96.329   12.937 15.18609 15.99184 
1 1 1   39   11    3 o   85.123   10.119  495.235  102.051  539.280  130.698  426.440  163.343   91.303   11.272   78.942   16.809 12.36086 20.23847 
1 1 1   39   11    4 o   96.291   8.4553  593.959  101.773  559.585  131.225  645.842  161.218   92.985   11.113   99.597   12.746 -6.612854 16.91060 
1 1 1   39   11    5 o  207.886   4.8609  2744.48  123.536  2688.72  154.290  2844.07  206.204  205.177   5.9215  210.595   7.7103 -5.417587 9.721781 
1 1 1   39   11    6 f  295.737   4.2321  5566.52  154.445  5492.91  195.874  5687.50  251.112  293.383   5.2573  298.092   6.6334 -4.709076 8.464162 
1 1 1   39   11    7 o  128.019   6.5006  1051.26  101.801  1033.08  127.389  1083.38  169.344  126.771   7.9129  129.267   10.316 -2.496689 13.00117 
1 1 1   39   11    8 o  125.391   6.7767  1016.91  103.326  1012.50  128.730  1024.89  173.239  125.371   8.0855  125.411   10.878 -0.4002380E-01 13.55349 
1 1 1   39   11    9 o  122.705   6.5970  990.514   97.944  1024.95  122.625  929.837  162.778  126.122   7.6562  119.288   10.745 6.834084 13.19398 
1 1 1   39   11   10 o  256.536   4.9590  4235.70  161.356  4293.35  234.712  4184.04  222.186  258.113   7.1606  254.959   6.8623 3.153854 9.917908 
1 1 1   39   11   11 o  121.678   15.884  1588.26  156.262  1742.61  167.095  512.313  441.166  163.881   8.0289   79.475   30.737 84.40651 31.76801 
1 1 1   39   11   12 o  124.012   12.660  1302.58  163.144  2002.37  219.208  433.691  244.262  174.210   9.9084   73.813   23.301 100.3970 25.32052 
1 1 1   39   11   13 o  158.442   9.2978  1843.70  169.108  2496.31  229.241  1064.58  250.476  194.477   9.2821  122.407   16.113 72.06986 18.59557 
1 1 1   39   11   14 o  103.053   11.294  720.719  147.807  720.719  147.807   0.0000   0.0000  103.053   11.294  ?   ?       ?      ? 
1 1 1   39   13    0 o   73.963   10.855  413.530   90.419  471.052  106.973  269.609  169.208   85.325   9.8724   62.601   19.336 22.72378 21.71076 
1 1 1   39   13    1 o  124.970   6.4585  975.437   95.798  919.954  114.993  1101.28  173.183  119.678   7.5663  130.263   10.469 -10.58538 12.91699 
1 1 1   39   13    2 o   56.384   11.964  217.749   89.072  224.658  107.669  202.767  158.549   57.113   14.744   55.654   18.845 1.458786 23.92760 
1 1 1   39   13    3 o  155.166   6.3373  1639.10  112.729  1774.71  136.722  1351.19  199.221  166.391   6.4704  143.942   10.899 22.44850 12.67457 
1 1 1   39   13    4 o  190.149   5.1287  2368.26  114.890  2446.56  139.996  2206.76  201.062  195.531   5.6380  184.766   8.5690 10.76468 10.25741 
1 1 1   39   13    5 o  133.681   7.2482  1150.70  123.049  1150.70  123.049   0.0000   0.0000  133.681   7.2482  ?   ?       ?      ? 
1 1 1   39   13    6 o   72.144   12.002  344.579  109.962  344.579  109.962   0.0000   0.0000   72.144   12.002  ?   ?       ?      ? 
1 1 1   39   13    7 o  150.824   6.5061  1464.63  124.615  1464.63  124.615   0.0000   0.0000  150.824   6.5061  ?   ?       ?      ? 
1 1 1   39   13    8 o  193.574   5.7173  2408.32  140.546  2408.32  140.546   0.0000   0.0000  193.574   5.7173  ?   ?       ?      ? 
1 1 1   39   13    9 o   41.472   16.977   69.190  142.317   69.190  142.317   0.0000   0.0000   41.472   16.977  ?   ?       ?      ? 
1 1 1   39   13   10 f   93.508   10.580  584.494  125.639  584.494  125.639   0.0000   0.0000   93.508   10.580  ?   ?       ?      ? 
1 1 1   39   13   11 o   64.066   13.608  295.025  107.292  295.025  107.292   0.0000   0.0000   64.066   13.608  ?   ?       ?      ? 
1 1 1   39   15    0 o   74.599   15.614  395.215  143.171  395.215  143.171   0.0000   0.0000   74.599   15.614  ?   ?       ?      ? 
1 1 1   39   15    1 o   74.993   14.709  396.148  135.078  396.148  135.078   0.0000   0.0000   74.993   14.709  ?   ?       ?      ? 
1 1 1   39   15    2 o  111.189   9.7108  813.863  137.118  813.863  137.118   0.0000   0.0000  111.189   9.7108  ?   ?       ?      ? 
1 1 1   39   15    3 o  ?   ?  -977.4235  129.901 -977.4235  129.901   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   39   15    4 o  218.259   5.9684  3072.18  165.429  3072.18  165.429   0.0000   0.0000  218.259   5.9684  ?   ?       ?      ? 
1 1 1   39   15    5 o   20.415   10.330 -428.5781  132.008 -428.5781  132.008   0.0000   0.0000   20.415   10.330  ?   ?       ?      ? 
1 1 1   39   15    6 o  153.139   7.3371  1530.57  142.688  1530.57  142.688   0.0000   0.0000  153.139   7.3371  ?   ?       ?      ? 
1 1 1   39   15    7 o   32.336   14.494 -24.6341  123.081 -24.6341  123.081   0.0000   0.0000   32.336   14.494  ?   ?       ?      ? 
1 1 1   39   15    8 o  108.547   8.9778  785.964  123.756  785.964  123.756   0.0000   0.0000  108.547   8.9778  ?   ?       ?      ? 
1 1 1   39   15    9 o   33.934   14.512   27.698  111.092   27.698  111.092   0.0000   0.0000   33.934   14.512  ?   ?       ?      ? 
1 1 1   39   17    0 o   37.264   16.053   32.661  137.773   32.661  137.773   0.0000   0.0000   37.264   16.053  ?   ?       ?      ? 
1 1 1   39   17    1 o   84.697   12.634  503.925  135.893  503.925  135.893   0.0000   0.0000   84.697   12.634  ?   ?       ?      ? 
1 1 1   39   17    2 o  131.500   8.7632  1156.65  146.342  1156.65  146.342   0.0000   0.0000  131.500   8.7632  ?   ?       ?      ? 
1 1 1   39   17    3 o  110.566   9.9148  832.071  139.213  832.071  139.213   0.0000   0.0000  110.566   9.9148  ?   ?       ?      ? 
1 1 1   39   17    4 o   52.182   16.585  215.862  123.579  215.862  123.579   0.0000   0.0000   52.182   16.585  ?   ?       ?      ? 
1 1 1   39   17    5 o   45.901   19.814  117.440  210.764  117.440  210.764   0.0000   0.0000   45.901   19.814  ?   ?       ?      ? 
1 1 1   40    0    0 o  281.088   3.7615  5027.25  189.732  5027.25  189.732  5027.25  189.732  281.088   5.3195  281.088   5.3195 -0.000000 0.000000 
1 1 1   40    0    1 o  116.042   5.6399  869.016  116.262  869.016  116.262  869.016  116.262  116.042   7.9760  116.042   7.9760 -0.000000 0.000000 
1 1 1   40    0    2 o  207.337   3.7491  2737.85  139.399  2737.85  139.399  2737.85  139.399  207.337   5.3021  207.337   5.3021 -0.000000 0.000000 
1 1 1   40    0    3 o   77.604   14.097  454.840  169.827  454.840  169.827  454.840  169.827   77.604   19.936   77.604   19.936 -0.000000 0.000000 
1 1 1   40    0    4 o   96.619   6.7166  611.886  113.964  611.886  113.964  611.886  113.964   96.619   9.4988   96.619   9.4988 -0.000000 0.000000 
1 1 1   40    0    5 o   25.666   11.378   23.410  108.749   23.410  108.749   23.410  108.749   25.666   16.091   25.666   16.091 -0.000000 0.000000 
1 1 1   40    0    6 o  306.052   3.5929  5959.75  197.362  5959.75  197.362  5959.75  197.362  306.052   5.0811  306.052   5.0811 -0.000000 0.000000 
1 1 1   40    0    7 o  236.316   3.6683  3555.93  155.519  3555.93  155.519  3555.93  155.519  236.316   5.1878  236.316   5.1878 -0.000000 0.000000 
1 1 1   40    0    8 o  270.638   3.6547  4662.57  177.491  4662.57  177.491  4662.57  177.491  270.638   5.1685  270.638   5.1685 -0.000000 0.000000 
1 1 1   40    0    9 o  185.287   4.2467  2191.27  140.979  2191.27  140.979  2191.27  140.979  185.287   6.0057  185.287   6.0057 -0.000000 0.000000 
1 1 1   40    0   11 o   15.482   7.8965 -202.2278  111.222 -202.2278  111.222 -202.2278  111.222   15.482   11.167   15.482   11.167 -0.000000 0.000000 
1 1 1   40    0   12 o   29.624   12.486   62.519  116.905   62.519  116.905   62.519  116.905   29.624   17.657   29.624   17.657 -0.000000 0.000000 
1 1 1   40    0   13 o   36.887   13.591  129.845  117.465  129.845  117.465  129.845  117.465   36.887   19.221   36.887   19.221 -0.000000 0.000000 
1 1 1   40    0   14 o  210.089   4.0465  2817.40  152.421  2817.40  152.421  2817.40  152.421  210.089   5.7226  210.089   5.7226 -0.000000 0.000000 
1 1 1   40    0   15 o  192.029   4.1584  2357.02  143.109  2357.02  143.109  2357.02  143.109  192.029   5.8809  192.029   5.8809 -0.000000 0.000000 
1 1 1   40    0   16 o   81.970   9.3364  467.161  126.748  467.161  126.748  467.161  126.748   81.970   13.204   81.970   13.204 -0.000000 0.000000 
1 1 1   40    0   17 o  404.807   4.0063 10468.08  291.132 10468.08  291.132 10468.08  291.132  404.807   5.6657  404.807   5.6657 -0.000000 0.000000 
1 1 1   40    0   18 o  172.728   5.2377  1926.70  161.798  1926.70  161.798  1926.70  161.798  172.728   7.4072  172.728   7.4072 -0.000000 0.000000 
1 1 1   40    0   19 o   19.665   9.6084 -78.9270  114.758 -78.9270  114.758 -78.9270  114.758   19.665   13.588   19.665   13.588 -0.000000 0.000000 
1 1 1   40    0   20 o  128.605   5.6736  1083.55  129.872  1083.55  129.872  1083.55  129.872  128.605   8.0237  128.605   8.0237 -0.000000 0.000000 
1 1 1   40    0   21 o  162.554   5.2094  1723.18  151.371  1723.18  151.371  1723.18  151.371  162.554   7.3672  162.554   7.3672 -0.000000 0.000000 
1 1 1   40    2    0 o   40.352   10.997   69.370   79.151   62.071  105.440   78.793  119.805   38.715   15.012   41.990   16.075 -3.275387 21.99433 
1 1 1   40    2    1 o  271.479   3.7496  4690.88  129.211  4854.15  182.767  4527.73  182.697  276.213   5.2105  266.745   5.3933 9.468109 7.499135 
1 1 1   40    2    2 o   91.400   6.8380  533.513   79.101  475.387  109.650  596.586  114.223   86.193   10.018   96.608   9.3103 -10.41491 13.67600 
1 1 1   40    2    3 o   50.719   10.344  171.379   71.672  208.258   96.400  125.795  107.174   55.758   13.710   45.680   15.494 10.07740 20.68886 
1 1 1   40    2    4 o  175.923   3.9632  1975.13   87.793  2008.64  117.353  1932.55  132.304  177.654   5.2016  174.192   5.9809 3.461838 7.926423 
1 1 1   40    2    5 o  210.034   3.8730  2798.27  102.670  2719.06  136.955  2899.90  155.134  206.680   5.2180  213.389   5.7248 -6.708771 7.745984 
1 1 1   40    2    6 o  171.155   4.2382  1862.28   91.963  1797.09  125.687  1937.39  134.912  167.949   5.8930  174.361   6.0929 -6.412323 8.476480 
1 1 1   40    2    7 o  202.853   3.7507  2622.60   96.538  2691.52  134.958  2550.38  138.150  205.599   5.1689  200.106   5.4364 5.492966 7.501471 
1 1 1   40    2    8 o   75.543   7.8328  367.886   75.012  351.381  107.581  383.502  104.645   73.855   11.470   77.231   10.670 -3.376450 15.66558 
1 1 1   40    2    9 o  163.721   6.7574  1711.06  140.494   0.0000   0.0000  1711.06  140.494  ?   ?   163.721   6.7574      ?      ? 
1 1 1   40    2   10 o  230.133   4.1178  3384.58  120.056  3517.30  166.333  3240.24  173.461  234.894   5.5761  225.372   6.0607 9.521713 8.235582 
1 1 1   40    2   11 o  130.605   5.2765  1087.60   87.149  1053.81  117.247  1129.31  130.275  128.381   7.1916  132.829   7.7230 -4.448624 10.55291 
1 1 1   40    2   12 o  134.505   5.4067  1155.28   92.179  1106.27  125.743  1212.21  135.528  131.448   7.5328  137.563   7.7580 -6.115585 10.81337 
1 1 1   40    2   13 o  154.299   4.7286  1523.54   92.527  1533.44  127.777  1512.62  134.163  154.859   6.4974  153.740   6.8718 1.118958 9.457148 
1 1 1   40    2   14 o  314.410   3.7813  6309.16  150.938  6205.23  210.514  6419.10  216.529  311.756   5.3173  317.064   5.3776 -5.307251 7.562567 
1 1 1   40    2   15 o   36.965   10.729   33.678   81.140   68.738  119.343   3.5402  110.649   40.189   15.857   33.741   14.457 6.448475 21.45807 
1 1 1   40    2   16 o   35.946   10.385  -3.8986   81.860 -101.8095  109.932  117.966  122.645   27.046   12.683   44.845   16.448 -17.79875 20.77003 
1 1 1   40    2   17 o  104.656   6.5726  716.974   86.616  601.528  120.160  841.841  124.967   95.677   9.8895  113.634   8.6598 -17.95712 13.14514 
1 1 1   40    2   18 o  253.123   5.7246  4126.60  184.015   0.0000   0.0000  4126.60  184.015  ?   ?   253.123   5.7246      ?      ? 
1 1 1   40    2   19 o   56.720   10.045  226.224   86.697  396.933  121.474   48.985  123.775   75.894   12.604   37.546   15.645 38.34778 20.09030 
1 1 1   40    2   20 o  142.317   5.0759  1351.77   90.041  1115.54  131.417  1560.80  123.617  129.855   7.9692  154.778   6.2891 -24.92274 10.15188 
1 1 1   40    2   21 o  149.856   5.3656  1490.58  102.057  1558.50  146.468  1426.48  142.283  153.225   7.5273  146.488   7.6485 6.736893 10.73120 
1 1 1   40    4    0 o  115.259   5.9251  846.693   86.172  835.308  115.177  861.169  129.874  114.414   7.9270  116.104   8.8084 -1.690544 11.85013 
1 1 1   40    4    1 o  226.829   3.8230  3270.57  109.558  3234.73  147.280  3314.97  163.931  225.465   5.1438  228.193   5.6569 -2.727951 7.645918 
1 1 1   40    4    2 o  121.838   5.6155  938.010   86.428  851.436  115.333  1048.90  130.528  115.497   7.8633  128.179   8.0188 -12.68184 11.23091 
1 1 1   40    4    3 o   88.719   7.3285  500.899   81.567  482.266  106.488  527.352  126.880   86.792   9.6615   90.647   11.022 -3.854340 14.65707 
1 1 1   40    4    4 o  346.112   3.8576  7625.75  169.217  7598.09  231.890  7657.25  247.488  345.470   5.2856  346.753   5.6202 -1.283234 7.715217 
1 1 1   40    4    5 o  147.671   4.9444  1386.41   92.416  1334.34  124.815  1449.60  137.495  144.632   6.7955  150.709   7.1840 -6.076797 9.888871 
1 1 1   40    4    6 o  133.468   5.1010  1130.94   86.135  1067.62  115.856  1209.20  128.796  129.330   7.0541  137.606   7.3704 -8.275757 10.20209 
1 1 1   40    4    7 o   53.260   10.268  173.707   75.643   83.912   99.516  296.575  116.409   40.132   14.802   66.388   14.235 -26.25663 20.53582 
1 1 1   40    4    8 o  133.740   5.3204  1138.18   90.145  1070.46  122.421  1218.39  133.232  129.423   7.4485  138.058   7.5992 -8.635101 10.64085 
1 1 1   40    4   10 o  145.986   4.8004  1344.49   88.429  1179.69  117.898  1556.42  133.703  135.882   6.8323  156.090   6.7451 -20.20815 9.600854 
1 1 1   40    4   11 f  153.250   7.0195  1501.82  136.611   0.0000   0.0000  1501.82  136.611  ?   ?   153.250   7.0195      ?      ? 
1 1 1   40    4   12 o  103.423   6.9031  696.539   89.184  735.000  118.098  645.499  136.049  106.940   8.6961   99.906   10.723 7.034706 13.80617 
1 1 1   40    4   13 o  220.721   4.0589  3096.85  112.626  3007.34  148.149  3219.42  173.360  217.045   5.3749  224.398   6.0835 -7.353455 8.117797 
1 1 1   40    4   14 o  128.118   5.6317  1045.05   89.916  999.224  115.393  1115.88  143.462  124.725   7.2853  131.511   8.5900 -6.786034 11.26339 
1 1 1   40    4   15 o   87.192   8.2812  495.942   90.538  474.136  117.955  527.213  141.251   85.080   10.917   89.304   12.455 -4.224518 16.56236 
1 1 1   40    4   16 f  223.237   4.0340  3223.17  113.016  3394.70  151.306  3006.70  169.976  230.217   5.1754  216.258   6.1892 13.95839 8.067915 
1 1 1   40    4   17 o   99.238   8.7634  720.416   97.622  931.702  129.854  445.788  148.045  119.376   8.5657   79.101   15.291 40.27523 17.52679 
1 1 1   40    4   18 o   83.775   8.9478  469.788   93.755  421.434  120.537  543.846  149.173   78.720   12.058   88.829   13.224 -10.10932 17.89559 
1 1 1   40    4   19 o  111.637   8.6417  826.760  122.515  826.760  122.515   0.0000   0.0000  111.637   8.6417  ?   ?       ?      ? 
1 1 1   40    4   20 o  193.620   4.2773  2441.87  104.719  2422.57  141.472  2465.26  155.744  192.999   5.7721  194.240   6.3138 -1.241272 8.554660 
1 1 1   40    6    0 o  240.297   3.8961  3643.34  117.573  3467.20  153.639  3892.25  182.642  233.390   5.1837  247.204   5.8179 -13.81381 7.792247 
1 1 1   40    6    1 o  117.958   6.0708  895.144   89.524  923.545  117.822  856.350  137.701  120.264   7.7146  115.652   9.3758 4.611992 12.14163 
1 1 1   40    6    2 o  119.907   6.1123  904.969   92.232  761.840  122.513  1092.21  140.125  109.118   8.8411  130.697   8.4426 -21.57823 12.22466 
1 1 1   40    6    3 o  201.985   4.1681  2579.63  106.079  2449.31  140.106  2754.69  162.385  196.085   5.6264  207.885   6.1510 -11.79980 8.336147 
1 1 1   40    6    4 o  134.659   5.5390  1168.59   92.962  1214.30  121.785  1104.77  143.901  137.934   6.9525  131.384   8.6247 6.549866 11.07806 
1 1 1   40    6    5 o  139.025   5.5958  1213.99   97.884  1071.65  128.373  1411.70  151.290  129.475   7.8075  148.577   8.0183 -19.10194 11.19155 
1 1 1   40    6    6 o  202.111   4.4706  2616.84  114.210  2763.31  157.123  2452.76  166.302  208.187   5.9430  196.035   6.6802 12.15230 8.941155 
1 1 1   40    6    7 o  575.257   5.0963 21068.66  371.171 20205.42  502.016 22109.58  551.263  562.397   7.0291  588.118   7.3810 -25.72113 10.19251 
1 1 1   40    6    8 f  116.233   6.8916  863.035  100.269  837.355  130.344  900.258  156.931  114.235   8.9849  118.231   10.452 -3.995140 13.78311 
1 1 1   40    6    9 f  417.244   4.1912 11109.78  222.001 11461.38  314.280 10759.61  313.636  423.864   5.8386  410.624   6.0146 13.24008 8.382400 
1 1 1   40    6   10 o   84.744   8.2266  465.353   88.156  411.181  123.020  522.534  126.391   79.593   12.171   89.894   11.071 -10.30103 16.45314 
1 1 1   40    6   11 o  120.015   6.0250  929.864   91.048  961.798  122.385  890.284  136.251  122.439   7.8710  117.591   9.1241 4.847893 12.04996 
1 1 1   40    6   12 o   63.830   10.362  308.955   88.335  428.563  111.742  109.670  144.237   81.243   10.831   46.417   17.669 34.82615 20.72464 
1 1 1   40    6   13 o   37.779   11.090   8.9538   83.153 -33.5924  100.194  103.106  149.049   29.518   13.165   46.041   17.849 -16.52263 22.17909 
1 1 1   40    6   14 o  137.397   6.0649  1248.72  101.994  1337.94  131.039  1111.61  162.454  144.164   7.1576  130.630   9.7929 13.53375 12.12978 
1 1 1   40    6   15 f  160.696   4.9398  1633.35   99.334  1486.51  127.950  1856.12  157.599  151.909   6.6325  169.482   7.3224 -17.57295 9.879652 
1 1 1   40    6   17 o   59.115   11.875  264.465   96.203  325.607  129.717  189.727  143.417   66.660   15.600   51.571   17.908 15.08897 23.75015 
1 1 1   40    6   18 o   58.564   11.402  246.793   88.491  173.036  114.737  355.072  139.019   48.595   16.024   68.533   16.225 -19.93809 22.80354 
1 1 1   40    6   19 o   63.466   10.725  369.632   98.257  487.859  115.825   66.155  185.570   84.214   10.830   42.717   18.515 41.49709 21.45026 
1 1 1   40    8    0 o  118.865   6.2628  867.684   92.378  734.843  116.506  1092.61  151.602  107.149   8.5622  130.581   9.1421 -23.43262 12.52552 
1 1 1   40    8    1 o  160.919   5.1645  1661.25  104.533  1711.77  139.815  1597.23  157.407  163.778   6.7224  158.060   7.8419 5.717712 10.32890 
1 1 1   40    8    2 o   24.996   8.6551 -234.6355   87.711 -255.6668  112.444 -201.9518  140.174   21.963   10.868   28.029   13.473 -6.066244 17.31029 
1 1 1   40    8    3 o  231.869   5.7110  3426.83  168.165  3426.83  168.165   0.0000   0.0000  231.869   5.7110  ?   ?       ?      ? 
1 1 1   40    8    5 f   44.568   12.433   74.440  101.838   50.391  130.482  111.921  162.892   40.433   16.367   48.703   18.720 -8.270130 24.86602 
1 1 1   40    8    6 o   53.867   11.944  167.797   96.718   68.458  128.258  298.760  147.265   41.660   16.438   66.074   17.334 -24.41481 23.88878 
1 1 1   40    8    7 o  247.406   4.2696  3950.86  132.377  4263.56  178.116  3565.02  197.855  258.589   5.4239  236.224   6.5955 22.36496 8.539273 
1 1 1   40    8    8 o  156.019   5.2846  1546.36  103.189  1489.02  133.879  1630.28  161.962  152.580   6.9093  159.458   7.9982 -6.877029 10.56927 
1 1 1   40    8    9 o  187.806   4.7143  2256.87  110.921  2259.27  145.500  2253.54  171.394  188.040   6.0930  187.572   7.1954 0.4690704 9.428585 
1 1 1   40    8   10 o   45.235   11.771  101.863   96.804  183.181  124.262 -23.6764  154.396   52.484   16.625   37.987   16.669 14.49645 23.54226 
1 1 1   40    8   11 o  152.231   5.4570  1471.45  103.608  1394.98  133.005  1589.47  165.231  147.414   7.1048  157.049   8.2848 -9.634750 10.91399 
1 1 1   40    8   12 o  190.007   4.7139  2320.20  108.274  2324.33  134.112  2312.46  183.488  190.580   5.5413  189.434   7.6273 1.145966 9.427710 
1 1 1   40    8   13 o  169.467   5.1613  1885.13  103.323  1945.38  126.179  1762.52  180.005  174.175   5.7046  164.758   8.6032 9.416046 10.32265 
1 1 1   40    8   14 f  145.395   5.6309  1405.37  100.179  1516.39  129.017  1236.80  158.980  153.304   6.6270  137.485   9.1056 15.81866 11.26184 
1 1 1   40    8   15 o  261.043   4.3376  4368.87  143.294  4038.89  193.190  4772.43  213.647  250.195   6.0803  271.891   6.1876 -21.69565 8.675104 
1 1 1   40    8   16 o  129.557   7.0868  1122.09  116.507  1073.42  164.741  1170.80  164.790  126.599   10.247  132.515   9.7924 -5.916481 14.17360 
1 1 1   40    8   17 o   60.347   17.991  287.811  148.258  287.811  148.258   0.0000   0.0000   60.347   17.991  ?   ?       ?      ? 
1 1 1   40   10    0 o  106.689   10.455  733.158  141.654  733.158  141.654   0.0000   0.0000  106.689   10.455  ?   ?       ?      ? 
1 1 1   40   10    1 o  102.060   9.9783  670.214  129.327  670.214  129.327   0.0000   0.0000  102.060   9.9783  ?   ?       ?      ? 
1 1 1   40   10    2 o  148.425   5.7938  1431.48  105.815  1499.89  135.866  1326.01  168.696  153.181   6.9844  143.669   9.2462 9.512115 11.58768 
1 1 1   40   10    3 o  137.390   6.2010  1232.40  104.853  1307.63  135.256  1119.11  165.988  142.941   7.4511  131.838   9.9142 11.10255 12.40201 
1 1 1   40   10    4 o  148.328   5.9277  1431.62  109.068  1520.00  142.614  1307.10  169.282  154.109   7.2871  142.547   9.3514 11.56226 11.85538 
1 1 1   40   10    5 o  149.665   5.5344  1433.68  103.957  1420.01  136.665  1452.45  160.145  148.927   7.2262  150.403   8.3846 -1.476318 11.06878 
1 1 1   40   10    6 o  204.461   4.8154  2636.66  121.546  2517.39  153.221  2839.10  199.627  198.481   6.0789  210.442   7.4698 -11.96104 9.630725 
1 1 1   40   10    7 o  182.462   4.8906  2122.55  110.972  2082.13  142.511  2184.82  176.872  180.423   6.2199  184.501   7.5489 -4.077957 9.781245 
1 1 1   40   10    8 o  185.096   5.0338  2179.96  113.756  2132.33  141.793  2265.97  190.557  182.538   6.1168  187.654   7.9963 -5.115601 10.06757 
1 1 1   40   10    9 o  298.318   4.1528  5674.45  153.675  5592.33  196.608  5803.41  246.378  295.806   5.2338  300.831   6.4491 -5.024750 8.305649 
1 1 1   40   10   10 o  129.724   6.2275  1083.34   95.594  1069.42  115.567  1113.52  170.112  128.898   7.0601  130.551   10.261 -1.653641 12.45500 
1 1 1   40   10   11 o  100.622   8.5145  682.846  106.619  813.305  148.557  544.268  153.110  111.217   10.518   90.027   13.392 21.19028 17.02904 
1 1 1   40   10   12 o  184.204   7.9716  2308.18  177.582  2450.83  224.486  2069.64  290.292  193.431   9.1387  174.977   13.064 18.45367 15.94314 
1 1 1   40   10   13 o  241.783   6.4475  3837.86  197.624  3540.90  272.638  4166.64  286.868  231.818   9.2611  251.749   8.9730 -19.93074 12.89506 
1 1 1   40   10   14 o  130.548   8.5892  1236.53  130.341  1417.36  164.100  927.466  214.533  146.493   8.8209  114.603   14.741 31.89034 17.17848 
1 1 1   40   12    0 f   63.221   12.691  274.393  104.722  271.697  133.200  278.757  169.463   62.764   16.495   63.677   19.291 -0.9126854 25.38199 
1 1 1   40   12    1 o   62.766   12.431  267.298  101.856  238.490  132.496  308.921  159.260   58.937   16.854   66.595   18.277 -7.658100 24.86238 
1 1 1   40   12    2 o  135.635   6.4257  1212.78  106.818  1303.85  137.626  1074.79  169.406  142.501   7.6051  128.769   10.359 13.73120 12.85133 
1 1 1   40   12    3 o  128.522   7.0454  1051.98  110.252  1008.31  136.416  1134.24  187.217  125.072   8.5887  131.973   11.171 -6.901787 14.09081 
1 1 1   40   12    4 o   95.212   9.2359  627.208  100.002  673.595  123.158  537.433  171.332  101.981   9.5097   88.443   15.836 13.53733 18.47188 
1 1 1   40   12    5 o   88.064   11.281  519.844  122.386  649.480  186.848  422.437  161.966   98.515   14.935   77.613   16.911 20.90205 22.56186 
1 1 1   40   12    6 o   49.561   17.073 -187.6578  155.428 -207.4835  161.735   51.775  562.059   30.388   14.571   68.734   30.880 -38.34584 34.14537 
1 1 1   40   12    7 o   55.879   17.152  125.112  162.261  162.276  169.163 -302.6057  573.877   51.775   19.258   59.983   28.388 -8.207687 34.30402 
1 1 1   40   12    8 o   84.597   17.681  595.377  170.335  625.057  178.355  287.424  574.507   95.805   14.660   73.388   32.179 22.41653 35.36101 
1 1 1   40   12    9 o  161.402   10.728  1747.00  173.068  1713.79  192.525  1886.84  395.072  161.576   9.3828  161.229   19.295 0.3465424 21.45580 
1 1 1   40   12   10 o  216.524   7.9599  2885.99  205.112  2459.90  243.964  3913.41  378.834  192.708   9.9689  240.339   12.412 -47.63152 15.91981 
1 1 1   40   12   11 o   35.833   12.301 -268.2109  164.208 -227.8233  199.039 -354.2859  290.571   33.232   15.994   38.434   18.694 -5.202744 24.60262 
1 1 1   40   12   12 o   36.030   11.998 -94.4051  126.018 -65.2962  145.375 -182.4004  252.758   32.906   15.136   39.153   18.620 -6.247391 23.99590 
1 1 1   40   14    0 o   33.746   14.990 -29.6558  128.561 -29.6558  128.561   0.0000   0.0000   33.746   14.990  ?   ?       ?      ? 
1 1 1   40   14    2 o   98.051   10.668  633.801  132.832  633.801  132.832   0.0000   0.0000   98.051   10.668  ?   ?       ?      ? 
1 1 1   40   14    3 o  114.436   9.1604  856.616  133.123  856.616  133.123   0.0000   0.0000  114.436   9.1604  ?   ?       ?      ? 
1 1 1   40   14    4 o  116.251   8.7005  883.321  128.445  883.321  128.445   0.0000   0.0000  116.251   8.7005  ?   ?       ?      ? 
1 1 1   40   14    5 o   19.957   10.109 -432.6456  128.620 -432.6456  128.620   0.0000   0.0000   19.957   10.109  ?   ?       ?      ? 
1 1 1   40   14    6 o  225.842   6.0358  3292.12  173.109  3292.12  173.109   0.0000   0.0000  225.842   6.0358  ?   ?       ?      ? 
1 1 1   40   14    7 o  137.156   7.7334  1230.30  134.698  1230.30  134.698   0.0000   0.0000  137.156   7.7334  ?   ?       ?      ? 
1 1 1   40   14    8 o   56.154   15.882  235.986  118.322  235.986  118.322   0.0000   0.0000   56.154   15.882  ?   ?       ?      ? 
1 1 1   40   14    9 o  119.273   8.2082  941.090  124.327  941.090  124.327   0.0000   0.0000  119.273   8.2082  ?   ?       ?      ? 
1 1 1   40   14   10 o  149.441   6.5480  1460.26  124.267  1460.26  124.267   0.0000   0.0000  149.441   6.5480  ?   ?       ?      ? 
1 1 1   40   16    0 o   34.645   15.268  -3.4586  130.806  -3.4586  130.806   0.0000   0.0000   34.645   15.268  ?   ?       ?      ? 
1 1 1   40   16    1 o   77.355   14.350  433.493  135.775  433.493  135.775   0.0000   0.0000   77.355   14.350  ?   ?       ?      ? 
1 1 1   40   16    2 o   88.894   11.453  541.026  129.295  541.026  129.295   0.0000   0.0000   88.894   11.453  ?   ?       ?      ? 
1 1 1   40   16    3 o   31.536   14.248 -31.4745  121.620 -31.4745  121.620   0.0000   0.0000   31.536   14.248  ?   ?       ?      ? 
1 1 1   40   16    4 o   26.311   12.711 -164.2627  128.549 -164.2627  128.549   0.0000   0.0000   26.311   12.711  ?   ?       ?      ? 
1 1 1   40   16    5 o   84.446   11.592  496.481  124.309  496.481  124.309   0.0000   0.0000   84.446   11.592  ?   ?       ?      ? 
1 1 1   40   16    6 o   99.261   9.8191  672.278  123.773  672.278  123.773   0.0000   0.0000   99.261   9.8191  ?   ?       ?      ? 
1 1 1   41    1    0 o   99.454   6.8880  635.992   86.106  528.519  121.013  746.204  122.545   90.840   10.490  108.067   8.9295 -17.22660 13.77592 
1 1 1   41    1    1 o  112.482   6.7411  797.699   94.997  743.166  122.990  878.347  149.568  107.832   8.9815  117.133   10.055 -9.300865 13.48219 
1 1 1   41    1    2 o  196.393   4.0511  2452.63  100.942  2309.95  140.178  2606.30  145.477  190.462   5.7955  202.325   5.6620 -11.86226 8.102212 
1 1 1   41    1    3 o  191.479   4.0502  2334.88   98.474  2381.70  139.531  2288.42  138.998  193.396   5.6813  189.562   5.7740 3.833984 8.100383 
1 1 1   41    1    4 o  281.743   3.6219  5051.70  129.577  5142.38  184.741  4963.90  181.794  284.232   5.1181  279.255   5.1263 4.977295 7.243878 
1 1 1   41    1    5 o  109.470   5.7307  763.345   79.160  890.670  115.483  650.494  108.721  118.087   7.7009  100.854   8.4888 17.23361 11.46139 
1 1 1   41    1    6 o  176.001   3.9176  1969.08   87.468  1870.38  120.521  2078.91  127.142  171.351   5.5385  180.651   5.5421 -9.299332 7.835178 
1 1 1   41    1    7 o  105.528   5.8118  711.041   77.652  695.417  105.311  729.657  114.954  104.286   7.9519  106.771   8.4780 -2.485451 11.62368 
1 1 1   41    1    8 o  119.779   5.6778  919.005   86.175  847.387  121.675  991.083  122.064  115.057   8.3275  124.501   7.7204 -9.444000 11.35566 
1 1 1   41    1    9 o  185.781   4.4391  2202.39  104.653  2317.43  149.055  2090.55  146.969  190.582   6.1587  180.979   6.3947 9.603699 8.878158 
1 1 1   41    1   10 o  252.761   5.2078  4071.42  167.163   0.0000   0.0000  4071.42  167.163  ?   ?   252.761   5.2078      ?      ? 
1 1 1   41    1   11 o  103.556   6.6262  689.513   87.134  680.862  122.345  698.419  124.126  102.898   9.3627  104.214   9.3790 -1.315979 13.25241 
1 1 1   41    1   12 f  114.730   6.0596  851.957   87.576  780.285  128.661  913.831  119.542  110.097   9.2022  119.363   7.8863 -9.265594 12.11920 
1 1 1   41    1   13 o  197.144   4.2988  2489.68  107.339  2691.98  151.595  2286.30  152.005  205.248   5.8161  189.040   6.3318 16.20772 8.597587 
1 1 1   41    1   14 o  187.708   4.3689  2241.47  103.792  2029.53  140.648  2494.89  153.800  178.018   6.2215  197.398   6.1353 -19.37999 8.737770 
1 1 1   41    1   15 o  164.583   4.8166  1742.06  100.335  1931.33  143.553  1561.29  140.292  173.411   6.5186  155.754   7.0928 17.65733 9.633275 
1 1 1   41    1   16 o  210.876   3.9221  2850.26  104.972  2788.56  145.500  2917.23  151.592  208.518   5.4947  213.234   5.5981 -4.716354 7.844138 
1 1 1   41    1   17 o  ?   ?  -662.8117   85.288 -656.0765  122.732 -669.1016  118.605  ?   ?   ?   ?       ?      ? 
1 1 1   41    1   18 o  104.357   6.6434  721.078   87.930  672.437  122.344  773.049  126.462  100.637   9.5730  108.077   9.2140 -7.440269 13.28686 
1 1 1   41    1   19 o  221.970   3.9932  3188.38  112.527  3229.57  161.518  3149.53  156.860  223.327   5.6951  220.614   5.5989 2.713013 7.986358 
1 1 1   41    1   20 o  145.524   5.3370  1402.78   98.495  1479.28  138.989  1325.60  139.599  149.695   7.3113  141.353   7.7768 8.342255 10.67397 
1 1 1   41    3    0 o  101.807   6.4853  666.440   83.370  723.769  115.628  604.368  120.318  106.439   8.5543   97.175   9.7498 9.263527 12.97054 
1 1 1   41    3    1 o  127.678   5.3423  1041.62   86.193  1055.27  116.689  1025.24  127.866  128.633   7.1433  126.723   7.9455 1.909981 10.68451 
1 1 1   41    3    2 o  167.391   4.6568  1798.47   97.620  1868.99  129.307  1705.03  148.860  171.293   5.9444  163.489   7.1699 7.803909 9.313585 
1 1 1   41    3    3 o  361.263   3.8664  8316.46  177.253  8568.47  248.680  8056.21  252.715  366.854   5.3379  355.671   5.5951 11.18231 7.732896 
1 1 1   41    3    4 o  120.844   5.7889  956.124   86.352  1060.94  113.806  813.894  132.571  128.952   6.9496  112.736   9.2599 16.21638 11.57770 
1 1 1   41    3    5 o  153.949   4.4956  1505.62   87.463  1457.31  117.249  1566.23  131.326  151.201   6.1063  156.698   6.5995 -5.496933 8.991108 
1 1 1   41    3    6 o  170.656   4.3047  1862.55   92.394  1900.97  123.164  1813.10  139.725  172.727   5.6150  168.585   6.5265 4.141846 8.609448 
1 1 1   41    3    7 o   29.903   9.4177 -65.8819   77.699   19.786  102.815 -179.9599  118.644   34.321   14.276   25.484   12.286 8.837246 18.83534 
1 1 1   41    3    8 o  378.425   5.6708  9129.09  272.523  9129.09  272.523   0.0000   0.0000  378.425   5.6708  ?   ?       ?      ? 
1 1 1   41    3    9 o  231.324   5.8038  3412.78  170.494   0.0000   0.0000  3412.78  170.494  ?   ?   231.324   5.8038      ?      ? 
1 1 1   41    3   10 o   84.406   8.1571  462.406   87.080  485.979  120.005  436.190  126.555   86.770   10.891   82.042   12.147 4.727837 16.31429 
1 1 1   41    3   11 o  148.219   6.4762  1403.93  121.899  1403.93  121.899   0.0000   0.0000  148.219   6.4762  ?   ?       ?      ? 
1 1 1   41    3   12 o  146.823   5.2023  1395.46   95.971  1518.28  130.639  1251.48  141.451  154.032   6.6786  139.614   7.9781 14.41811 10.40452 
1 1 1   41    3   13 o  370.512   3.9292  8772.90  184.773  8832.11  257.475  8710.03  265.318  371.843   5.4525  369.180   5.6591 2.663818 7.858496 
1 1 1   41    3   14 f   59.937   10.634  254.626   83.558  333.918  114.272  163.518  122.492   69.989   13.344   49.884   16.562 20.10489 21.26847 
1 1 1   41    3   15 o  222.131   3.9515  3156.54  111.320  3063.93  152.777  3261.37  162.538  218.695   5.5010  225.567   5.6741 -6.872665 7.902976 
1 1 1   41    3   16 o  116.462   6.1519  893.446   87.861  920.501  111.784  849.719  142.114  119.228   7.3829  113.697   9.8426 5.531158 12.30384 
1 1 1   41    3   18 o  256.081   5.3292  4227.42  173.308   0.0000   0.0000  4227.42  173.308  ?   ?   256.081   5.3292      ?      ? 
1 1 1   41    3   19 o  231.335   3.9978  3468.69  117.437  3414.65  165.108  3524.02  167.072  229.502   5.6650  233.168   5.6423 -3.665649 7.995510 
1 1 1   41    3   20 o   50.256   11.807  200.087   88.230  212.429  119.358  185.218  131.004   51.811   16.279   48.701   17.104 3.109249 23.61307 
1 1 1   41    5    0 o  160.962   4.8173  1648.68   97.948  1618.16  131.367  1686.89  146.984  159.321   6.4928  162.604   7.1181 -3.282913 9.634526 
1 1 1   41    5    1 o  182.887   4.6258  2137.19  106.433  2167.15  141.753  2098.47  161.143  184.415   6.0528  181.360   6.9967 3.054581 9.251525 
1 1 1   41    5    2 o   65.248   10.017  275.796   86.987  110.054  117.911  473.720  128.851   44.727   16.170   85.770   11.830 -41.04331 20.03496 
1 1 1   41    5    3 o   96.967   7.2437  605.692   88.332  619.727  117.838  587.691  133.457   98.333   9.4364   95.600   10.993 2.733711 14.48747 
1 1 1   41    5    4 o  166.157   4.8569  1776.53  101.628  1937.76  139.575  1594.59  148.266  174.314   6.3052  158.000   7.3893 16.31448 9.713775 
1 1 1   41    5    6 o  308.068   4.0005  6049.11  156.502  6078.87  220.814  6019.07  221.843  308.835   5.6302  307.301   5.6847 1.533905 8.000912 
1 1 1   41    5    7 o  147.167   5.9694  1417.29  109.147  1618.85  147.578  1173.90  162.165  159.132   7.3028  135.202   9.4449 23.92973 11.93885 
1 1 1   41    5    8 o  106.192   9.7245  619.957  105.598  552.906  116.031  943.328  254.812   92.717   9.8545  119.667   16.768 -26.94941 19.44895 
1 1 1   41    5    9 o  102.507   6.9491  698.144   87.491  821.785  117.541  544.532  131.014  113.228   8.1744   91.786   11.240 21.44212 13.89811 
1 1 1   41    5   10 o  217.277   4.0783  3006.58  111.566  2964.20  147.905  3062.52  169.934  215.573   5.4027  218.981   6.1108 -3.407898 8.156643 
1 1 1   41    5   11 o  158.040   4.7962  1596.87   96.006  1573.11  130.685  1624.73  141.505  156.805   6.5628  159.275   6.9959 -2.470093 9.592366 
1 1 1   41    5   12 o  178.598   6.6311  2043.28  150.397   0.0000   0.0000  2043.28  150.397  ?   ?   178.598   6.6311      ?      ? 
1 1 1   41    5   13 o  135.134   5.3516  1174.69   91.351  1168.58  122.892  1182.22  136.566  134.834   7.1771  135.434   7.9403 -0.6001282 10.70323 
1 1 1   41    5   14 o  105.540   7.1931  722.588   94.265  701.595  120.517  755.671  151.294  103.876   9.1360  107.204   11.113 -3.327675 14.38627 
1 1 1   41    5   15 o  290.411   3.9566  5396.02  144.813  5272.96  192.310  5557.19  220.079  286.772   5.2807  294.049   5.8936 -7.277527 7.913270 
1 1 1   41    5   16 o  217.533   6.5281  3059.27  180.340   0.0000   0.0000  3059.27  180.340  ?   ?   217.533   6.5281      ?      ? 
1 1 1   41    5   17 o  130.818   6.0519  1137.58   98.968  1197.49  131.320  1058.82  150.571  135.321   7.6417  126.316   9.3866 9.005142 12.10383 
1 1 1   41    5   18 o   56.004   11.351  237.179   84.000  229.150  109.508  248.657  130.932   55.250   15.153   56.758   16.904 -1.508564 22.70105 
1 1 1   41    5   19 o  165.112   4.6065  1781.64   96.232  1737.94  129.978  1834.65  143.162  163.059   6.2769  167.166   6.7438 -4.106628 9.212933 
1 1 1   41    7    0 o  177.840   5.8351  2015.69  131.782  2015.69  131.782   0.0000   0.0000  177.840   5.8351  ?   ?       ?      ? 
1 1 1   41    7    1 o  152.601   5.2224  1493.85  100.681  1564.41  137.697  1412.80  147.586  156.545   6.9264  148.657   7.8178 7.887802 10.44474 
1 1 1   41    7    2 f  175.948   4.8853  1961.94  107.541  1895.79  139.488  2058.90  168.858  172.390   6.3716  179.507   7.4074 -7.116653 9.770683 
1 1 1   41    7    3 o  208.548   4.6363  2788.90  121.923  2909.02  165.179  2645.12  180.715  213.577   6.0901  203.518   6.9922 10.05847 9.272536 
1 1 1   41    7    4 o  467.392   6.6451 13947.14  394.422   0.0000   0.0000 13947.14  394.422  ?   ?   467.392   6.6451      ?      ? 
1 1 1   41    7    5 o  256.251   4.3754  4208.01  141.545  4388.06  192.643  3996.76  208.667  262.314   5.7830  250.188   6.5676 12.12573 8.750827 
1 1 1   41    7    6 o  175.769   4.9843  1979.56  109.636  2003.65  143.832  1946.16  169.380  177.152   6.3934  174.386   7.6484 2.765839 9.968680 
1 1 1   41    7    7 o  200.207   4.5799  2553.33  114.331  2524.08  147.868  2596.83  180.288  198.893   5.8543  201.520   7.0448 -2.626770 9.159822 
1 1 1   41    7    8 o  109.871   6.9100  762.339   95.438  647.305  125.483  920.190  146.993  100.220   9.8595  119.523   9.6843 -19.30299 13.82007 
1 1 1   41    7    9 o  148.161   5.6346  1421.00  103.870  1474.89  135.575  1344.41  161.623  151.767   7.0343  144.556   8.8042 7.211655 11.26923 
1 1 1   41    7   10 o  212.634   4.5581  2896.73  120.841  2909.46  156.886  2878.17  189.481  213.372   5.7899  211.896   7.0415 1.475845 9.116249 
1 1 1   41    7   11 o  135.264   6.0935  1202.33  101.042  1274.97  129.601  1089.76  161.352  140.888   7.2436  129.639   9.8008 11.24956 12.18709 
1 1 1   41    7   12 o   96.861   7.4960  616.374   90.788  633.867  119.547  592.538  139.549   98.756   9.5323   94.965   11.571 3.790489 14.99198 
1 1 1   41    7   13 o  153.975   5.4667  1574.90  101.337  1682.44  127.447  1390.04  167.100  161.816   6.2020  146.134   9.0042 15.68245 10.93346 
1 1 1   41    7   14 o   34.554   10.540  -3.7071   87.913   61.420  107.417 -135.8304  152.997   37.599   14.977   31.510   14.835 6.089138 21.08023 
1 1 1   41    7   15 o  331.714   4.2261  7104.37  177.833  7387.04  249.594  6812.94  253.438  338.568   5.8051  324.859   6.1432 13.70844 8.452156 
1 1 1   41    7   16 o   89.714   8.0825  561.282   88.893  633.935  117.388  463.611  136.107   97.624   9.4687   81.804   13.102 15.81995 16.16506 
1 1 1   41    7   17 o  160.274   5.8097  1700.96  118.243  1723.31  168.132  1679.09  166.323  161.323   8.2069  159.225   8.2255 2.097855 11.61947 
1 1 1   41    9    0 o   95.332   11.349  586.730  137.393  586.730  137.393   0.0000   0.0000   95.332   11.349  ?   ?       ?      ? 
1 1 1   41    9    1 o   62.980   12.793  258.435  107.335  201.913  139.223  341.262  168.533   55.509   17.599   70.452   18.573 -14.94256 25.58693 
1 1 1   41    9    2 o   35.018   10.895 -35.4847   95.587   18.622  123.093 -117.6749  151.711   36.987   15.521   33.050   15.295 3.936539 21.79063 
1 1 1   41    9    3 o  143.827   5.7810  1303.98  104.310  1194.65  135.368  1463.78  163.657  136.586   7.8043  151.067   8.5308 -14.48050 11.56204 
1 1 1   41    9    4 o  149.319   5.6618  1396.86  105.664  1259.23  135.594  1609.66  168.607  140.232   7.6141  158.407   8.3816 -18.17506 11.32366 
1 1 1   41    9    5 f   81.820   9.9748  463.730   96.360  523.835  124.075  372.380  152.963   90.009   10.855   73.631   16.738 16.37786 19.94952 
1 1 1   41    9    6 f  139.313   6.1750  1244.48  106.680  1231.33  136.560  1265.07  170.881  138.557   7.7610  140.069   9.6067 -1.512924 12.34998 
1 1 1   41    9    7 o  156.631   5.4960  1555.25  108.146  1447.86  141.122  1708.06  168.335  150.245   7.3964  163.017   8.1314 -12.77220 10.99205 
1 1 1   41    9    8 o   99.123   8.2364  638.162   99.878  630.183  125.198  652.130  165.644   98.626   9.9960   99.621   13.093 -0.9951248 16.47281 
1 1 1   41    9    9 o  201.399   4.4896  2596.90  112.170  2587.09  143.900  2612.09  179.071  201.113   5.6343  201.686   6.9915 -0.5724640 8.979262 
1 1 1   41    9   10 o  165.776   5.1124  1756.09  104.039  1718.62  130.691  1820.92  171.904  163.658   6.2883  167.895   8.0626 -4.236649 10.22484 
1 1 1   41    9   11 f   35.346   10.495 -18.8907   92.629  100.026  113.403 -257.2748  160.562   42.190   15.753   28.503   13.871 13.68630 20.98973 
1 1 1   41    9   12 o  162.547   6.4963  1727.89  133.770  1757.22  196.816  1702.70  182.369  163.675   9.4689  161.419   8.8965 2.256073 12.99264 
1 1 1   41    9   13 o  153.323   10.871  1641.30  165.216  597.834  215.493  3129.34  257.337   88.670   19.653  217.976   9.2964 -129.3053 21.74121 
1 1 1   41    9   14 o   43.563   13.316   43.356  136.122   88.790  179.255 -18.5306  209.207   45.244   18.838   41.882   18.826 3.361290 26.63251 
1 1 1   41    9   15 o  108.704   11.255  1013.75  122.742  1257.96  150.261  524.040  212.784  137.755   8.5894   79.654   20.807 58.10073 22.51062 
1 1 1   41   11    0 o   43.054   11.809   62.957  101.034  157.548  131.740 -72.1352  157.437   50.233   17.177   35.875   16.209 14.35814 23.61785 
1 1 1   41   11    1 o  279.319   4.4519  4929.49  152.948  4762.08  192.106  5219.32  252.772  273.133   5.5385  285.505   6.9717 -12.37158 8.903879 
1 1 1   41   11    2 o   48.964   12.488  136.464  104.468  201.416  132.525   29.857  169.784   54.834   17.141   43.095   18.164 11.73845 24.97500 
1 1 1   41   11    3 o   42.584   11.998   60.452  102.627  131.289  132.081 -47.4736  163.031   47.435   17.119   37.734   16.814 9.700146 23.99546 
1 1 1   41   11    4 o   84.964   10.782  510.739  106.817  568.217  134.395  412.155  176.011   93.376   11.334   76.552   18.345 16.82371 21.56361 
1 1 1   41   11    5 o  189.706   4.9846  2320.53  115.427  2347.79  145.046  2273.44  190.613  191.529   5.9634  187.883   7.9889 3.645935 9.969186 
1 1 1   41   11    6 o  153.224   6.8485  1528.77  132.829  1472.47  193.497  1578.94  182.668  150.386   10.132  156.061   9.2170 -5.675186 13.69700 
1 1 1   41   11    7 o   44.565   12.366   51.820  111.871  195.245  161.687 -79.8950  154.947   54.488   19.010   34.643   15.820 19.84539 24.73115 
1 1 1   41   11    8 o  153.295   14.385  1721.93  190.619  1740.02  208.240  1628.40  473.484  162.982   10.061  143.608   26.953 19.37396 28.76930 
1 1 1   41   11    9 o  166.241   10.147  1961.18  184.726  2056.90  216.922  1708.60  352.376  177.061   9.6472  155.420   17.853 21.64113 20.29321 
1 1 1   41   11   10 o   61.724   12.127   26.584  174.047  678.564  227.560 -892.3975  270.167   95.048   19.507   28.400   14.414 66.64798 24.25421 
1 1 1   41   11   11 o   41.702   13.584 -90.8295  167.757 -25.2317  224.559 -173.6715  252.355   43.217   19.458   40.187   18.960 3.030212 27.16785 
1 1 1   41   11   12 o   74.825   11.285  441.313  125.819  780.525  172.517   55.873  183.897  106.313   12.778   43.337   18.606 62.97590 22.57098 
1 1 1   41   11   13 o   78.166   16.104  460.763  154.537  460.763  154.537   0.0000   0.0000   78.166   16.104  ?   ?       ?      ? 
1 1 1   41   13    0 o  186.635   6.4594  2236.30  153.096  2236.30  153.096   0.0000   0.0000  186.635   6.4594  ?   ?       ?      ? 
1 1 1   41   13    1 o   34.215   15.238 -35.0125  133.696 -35.0125  133.696   0.0000   0.0000   34.215   15.238  ?   ?       ?      ? 
1 1 1   41   13    2 o  167.406   7.0396  1805.57  149.656  1805.57  149.656   0.0000   0.0000  167.406   7.0396  ?   ?       ?      ? 
1 1 1   41   13    3 o  192.460   6.0678  2379.43  148.302  2379.43  148.302   0.0000   0.0000  192.460   6.0678  ?   ?       ?      ? 
1 1 1   41   13    4 o   86.474   10.472  492.728  114.995  492.728  114.995   0.0000   0.0000   86.474   10.472  ?   ?       ?      ? 
1 1 1   41   13    5 o  116.358   8.2299  881.622  121.609  881.622  121.609   0.0000   0.0000  116.358   8.2299  ?   ?       ?      ? 
1 1 1   41   13    6 o   26.266   12.586 -149.2477  120.189 -149.2477  120.189   0.0000   0.0000   26.266   12.586  ?   ?       ?      ? 
1 1 1   41   13    7 o  209.788   5.9162  2838.56  157.617  2838.56  157.617   0.0000   0.0000  209.788   5.9162  ?   ?       ?      ? 
1 1 1   41   13    8 o  207.537   5.8745  2782.31  154.825  2782.31  154.825   0.0000   0.0000  207.537   5.8745  ?   ?       ?      ? 
1 1 1   41   13    9 o   50.058   16.197  184.383  117.463  184.383  117.463   0.0000   0.0000   50.058   16.197  ?   ?       ?      ? 
1 1 1   41   13   10 o  106.720   8.2517  754.395  111.833  754.395  111.833   0.0000   0.0000  106.720   8.2517  ?   ?       ?      ? 
1 1 1   41   15    0 o   31.169   14.374 -74.4969  132.271 -74.4969  132.271   0.0000   0.0000   31.169   14.374  ?   ?       ?      ? 
1 1 1   41   15    1 o  ?   ?  -520.7615  130.818 -520.7615  130.818   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   41   15    2 o   98.737   10.686  655.600  133.993  655.600  133.993   0.0000   0.0000   98.737   10.686  ?   ?       ?      ? 
1 1 1   41   15    3 o   57.402   17.164  250.428  134.792  250.428  134.792   0.0000   0.0000   57.402   17.164  ?   ?       ?      ? 
1 1 1   41   15    4 f   34.135   15.243 -16.9088  134.755 -16.9088  134.755   0.0000   0.0000   34.135   15.243  ?   ?       ?      ? 
1 1 1   41   15    5 o   40.013   16.290   79.170  130.119   79.170  130.119   0.0000   0.0000   40.013   16.290  ?   ?       ?      ? 
1 1 1   41   15    6 o  128.080   7.8320  1085.29  127.388  1085.29  127.388   0.0000   0.0000  128.080   7.8320  ?   ?       ?      ? 
1 1 1   41   15    7 o  103.613   9.4717  727.188  124.630  727.188  124.630   0.0000   0.0000  103.613   9.4717  ?   ?       ?      ? 
1 1 1   41   15    8 o   30.287   13.779 -31.0930  116.165 -31.0930  116.165   0.0000   0.0000   30.287   13.779  ?   ?       ?      ? 
1 1 1   41   17    0 o   37.170   16.499   19.688  155.443   19.688  155.443   0.0000   0.0000   37.170   16.499  ?   ?       ?      ? 
1 1 1   42    0    0 o  350.659   3.9029  7823.86  245.653  7823.86  245.653  7823.86  245.653  350.659   5.5195  350.659   5.5195 -0.000000 0.000000 
1 1 1   42    0    1 o  173.477   4.2664  1920.94  132.556  1920.94  132.556  1920.94  132.556  173.477   6.0336  173.477   6.0336 -0.000000 0.000000 
1 1 1   42    0    2 o   25.030   11.113   21.296  104.215   21.296  104.215   21.296  104.215   25.030   15.717   25.030   15.717 -0.000000 0.000000 
1 1 1   42    0    3 o   61.700   11.381  288.226  108.973  288.226  108.973  288.226  108.973   61.700   16.095   61.700   16.095 -0.000000 0.000000 
1 1 1   42    0    4 o  148.609   4.4522  1412.69  118.342  1412.69  118.342  1412.69  118.342  148.609   6.2964  148.609   6.2964 -0.000000 0.000000 
1 1 1   42    0    5 o  251.111   3.5735  4014.29  161.013  4014.29  161.013  4014.29  161.013  251.111   5.0538  251.111   5.0538 -0.000000 0.000000 
1 1 1   42    0    8 o   86.098   9.0637  505.334  131.006  505.334  131.006  505.334  131.006   86.098   12.818   86.098   12.818 -0.000000 0.000000 
1 1 1   42    0    9 o  232.412   3.9870  3443.19  166.196  3443.19  166.196  3443.19  166.196  232.412   5.6385  232.412   5.6385 -0.000000 0.000000 
1 1 1   42    0   10 o  101.527   7.2767  679.305  129.557  679.305  129.557  679.305  129.557  101.527   10.291  101.527   10.291 -0.000000 0.000000 
1 1 1   42    0   11 o  345.679   3.7118  7609.74  230.318  7609.74  230.318  7609.74  230.318  345.679   5.2493  345.679   5.2493 -0.000000 0.000000 
1 1 1   42    0   12 o   20.431   9.8958 -72.7977  115.715 -72.7977  115.715 -72.7977  115.715   20.431   13.995   20.431   13.995 -0.000000 0.000000 
1 1 1   42    0   13 o  125.700   5.7598  1023.00  128.774  1023.00  128.774  1023.00  128.774  125.700   8.1455  125.700   8.1455 -0.000000 0.000000 
1 1 1   42    0   14 o  390.653   4.0154  9737.43  281.582  9737.43  281.582  9737.43  281.582  390.653   5.6786  390.653   5.6786 -0.000000 0.000000 
1 1 1   42    0   15 o   23.089   10.769 -17.0366  114.825 -17.0366  114.825 -17.0366  114.825   23.089   15.229   23.089   15.229 -0.000000 0.000000 
1 1 1   42    0   17 o  162.838   4.9852  1712.84  145.169  1712.84  145.169  1712.84  145.169  162.838   7.0501  162.838   7.0501 -0.000000 0.000000 
1 1 1   42    0   18 o   36.453   13.842  137.740  124.865  137.740  124.865  137.740  124.865   36.453   19.575   36.453   19.575 -0.000000 0.000000 
1 1 1   42    0   19 o  339.040   3.8904  7382.04  236.747  7382.04  236.747  7382.04  236.747  339.040   5.5019  339.040   5.5019 -0.000000 0.000000 
1 1 1   42    2    0 o  139.157   6.6213  1267.74  108.537  1160.83  189.186  1320.19  132.514  134.464   11.079  143.850   7.2539 -9.386276 13.24264 
1 1 1   42    2    1 o  272.006   3.7823  4709.02  130.583  4665.49  181.413  4755.83  188.115  270.712   5.2770  273.301   5.4201 -2.588593 7.564624 
1 1 1   42    2    2 o  227.397   3.9705  3293.52  114.653  3287.74  162.920  3299.19  161.378  227.195   5.6468  227.598   5.5834 -0.4032593 7.941031 
1 1 1   42    2    3 o  100.395   6.8864  649.317   87.194  733.410  123.001  564.369  123.623  107.027   9.0498   93.763   10.382 13.26366 13.77277 
1 1 1   42    2    4 o  201.062   4.9084  2582.60  120.908  2570.37  198.881  2589.78  152.280  200.547   7.8091  201.576   5.9487 -1.029373 9.816792 
1 1 1   42    2    5 o  122.446   5.5593  962.677   86.065  1028.91  119.231  890.621  124.360  126.910   7.3980  117.982   8.3002 8.928581 11.11862 
1 1 1   42    2    6 o  181.250   6.0405  2094.78  139.036  2094.78  139.036   0.0000   0.0000  181.250   6.0405  ?   ?       ?      ? 
1 1 1   42    2    8 o   52.038   11.570  176.916   86.053  144.806  125.156  205.706  118.510   48.734   16.741   55.342   15.974 -6.607624 23.13905 
1 1 1   42    2    9 o   43.829   10.986  106.471   78.679   59.093  111.901  152.795  110.647   38.924   15.355   48.735   15.715 -9.810741 21.97120 
1 1 1   42    2   10 o  183.425   4.3500  2147.94  101.224  2160.78  146.678  2136.26  139.870  183.927   6.2797  182.924   6.0211 1.003250 8.699959 
1 1 1   42    2   11 o  188.600   4.3920  2259.07  104.862  2067.44  141.985  2489.02  155.534  179.856   6.2164  197.345   6.2061 -17.48979 8.784075 
1 1 1   42    2   12 o  140.572   5.4495  1267.01   97.038  1239.82  132.031  1298.96  143.102  138.981   7.4807  142.164   7.9264 -3.182327 10.89905 
1 1 1   42    2   13 o  183.260   4.6773  2152.89  108.358  2144.03  146.311  2163.64  161.261  182.928   6.2983  183.592   6.9167 -0.6645508 9.354577 
1 1 1   42    2   14 o  428.250   4.2106 11751.12  228.877 11530.72  317.685 11988.99  330.030  424.116   5.8984  432.383   6.0105 -8.267029 8.421214 
1 1 1   42    2   15 o   66.974   10.066  313.213   82.747  304.391  112.289  323.696  122.409   66.076   13.826   67.872   14.633 -1.795624 20.13134 
1 1 1   42    2   17 o  156.023   4.9502  1599.30   96.560  1695.75  128.405  1473.77  146.488  161.868   6.2466  150.177   7.6810 11.69135 9.900410 
1 1 1   42    2   18 o  170.112   4.4520  1881.37   96.150  1826.32  135.666  1936.92  136.290  167.561   6.3756  172.663   6.2157 -5.101227 8.904089 
1 1 1   42    2   19 o  162.098   4.7550  1722.32   97.853  1758.48  140.482  1688.24  136.380  163.725   6.7566  160.471   6.6923 3.254333 9.509940 
1 1 1   42    4    0 o  377.894   4.0131  9098.68  192.442  9156.97  267.488  9036.15  277.072  379.174   5.5551  376.614   5.7932 2.560150 8.026189 
1 1 1   42    4    1 o  205.419   4.2041  2689.70  108.509  2693.71  143.468  2684.34  165.867  205.652   5.4934  205.186   6.3655 0.4661102 8.408210 
1 1 1   42    4    2 o  197.093   4.0901  2473.68  102.000  2457.04  138.266  2493.54  151.085  196.394   5.5438  197.791   6.0150 -1.396881 8.180120 
1 1 1   42    4    3 o  135.792   5.5452  1182.59   95.074  1219.95  128.980  1138.15  140.691  138.204   7.3489  133.381   8.3060 4.822403 11.09039 
1 1 1   42    4    4 o   85.513   9.1569  484.567   93.921  342.029  129.989  640.259  135.854   71.256   14.847   99.770   10.722 -28.51378 18.31382 
1 1 1   42    4    5 o  124.710   9.2933  997.510  147.179  997.510  147.179   0.0000   0.0000  124.710   9.2933  ?   ?       ?      ? 
1 1 1   42    4    6 o  297.846   7.7926  5675.63  294.748  5675.63  294.748   0.0000   0.0000  297.846   7.7926  ?   ?       ?      ? 
1 1 1   42    4    7 o   71.560   9.8187  341.844   87.112  385.553  121.473  295.564  124.993   77.149   12.399   65.971   15.228 11.17809 19.63745 
1 1 1   42    4    8 o  223.239   5.7667  3178.90  163.484   0.0000   0.0000  3178.90  163.484  ?   ?   223.239   5.7667      ?      ? 
1 1 1   42    4    9 o  188.268   4.4669  2282.49  105.030  2377.49  138.327  2153.17  161.395  193.044   5.6425  183.491   6.9262 9.552429 8.933703 
1 1 1   42    4   10 o  181.693   4.5513  2113.16  103.635  2126.95  136.246  2094.23  159.641  182.499   5.8788  180.885   6.9497 1.614075 9.102608 
1 1 1   42    4   11 o   57.158   11.781  226.335   92.038  265.064  121.621  174.430  140.797   62.039   15.486   52.277   17.759 9.762058 23.56220 
1 1 1   42    4   12 o  196.797   4.4856  2484.62  110.989  2509.08  147.389  2452.58  168.679  198.044   5.8604  195.551   6.7924 2.492401 8.971137 
1 1 1   42    4   13 o   42.512   11.485   92.182   87.205  121.820  112.751   48.059  137.572   44.684   15.851   40.340   16.624 4.344017 22.96923 
1 1 1   42    4   14 o  262.853   3.8089  4406.54  126.481  4238.28  169.140  4619.98  190.503  257.277   5.1769  268.428   5.5885 -11.15027 7.617826 
1 1 1   42    4   15 o  182.070   4.5796  2139.59  105.838  2184.53  148.548  2093.25  150.833  184.066   6.3550  180.074   6.5958 3.992416 9.159203 
1 1 1   42    4   16 o  278.754   5.7651  5008.60  204.082  5008.60  204.082   0.0000   0.0000  278.754   5.7651  ?   ?       ?      ? 
1 1 1   42    4   17 o  113.817   6.4850  867.380   92.906  943.258  127.499  781.481  135.657  119.575   8.3963  108.060   9.8856 11.51575 12.97004 
1 1 1   42    4   18 o  134.397   5.4406  1197.24   92.191  1244.13  124.845  1141.00  136.718  137.657   7.1416  131.137   8.2096 6.519836 10.88122 
1 1 1   42    4   19 o   32.025   10.202 -27.6856   90.023   31.347  120.645 -101.8466  135.223   34.802   15.007   29.248   13.823 5.554028 20.40320 
1 1 1   42    6    0 o   77.419   9.4455  381.613   89.661  321.511  115.350  473.354  142.512   69.311   13.591   85.527   13.121 -16.21656 18.89106 
1 1 1   42    6    1 o   83.660   8.7944  437.560   91.403  385.935  115.554  523.853  149.396   77.358   11.763   89.962   13.077 -12.60476 17.58873 
1 1 1   42    6    2 o   21.307   10.801 -503.8830   91.457 -487.0064  115.960 -531.6592  148.765  ?   ?    21.307   10.801      ?      ? 
1 1 1   42    6    3 o  312.444   6.0272  6225.60  239.148   0.0000   0.0000  6225.60  239.148  ?   ?   312.444   6.0272      ?      ? 
1 1 1   42    6    4 o  332.963   6.1777  7073.60  261.214   0.0000   0.0000  7073.60  261.214  ?   ?   332.963   6.1777      ?      ? 
1 1 1   42    6    5 o   61.159   11.807  252.811   93.882  238.943  126.101  270.058  140.622   59.356   16.253   62.961   17.131 -3.605457 23.61407 
1 1 1   42    6    6 o  139.043   5.7228  1223.41   99.648  1153.16  129.053  1327.14  156.815  134.238   7.5703  143.849   8.5843 -9.610764 11.44551 
1 1 1   42    6    7 o  136.631   7.0700  1193.97  122.673  1193.97  122.673   0.0000   0.0000  136.631   7.0700  ?   ?       ?      ? 
1 1 1   42    6    8 o   99.642   7.6502  648.553   94.450  674.737  122.462  610.109  148.386  102.368   9.4201   96.915   12.057 5.453087 15.30031 
1 1 1   42    6    9 o  153.674   5.4059  1530.96  102.494  1587.97  131.740  1443.55  163.138  157.540   6.5849  149.809   8.5751 7.730392 10.81172 
1 1 1   42    6   10 o  383.470   4.0619  9402.22  197.482  9474.40  272.194  9321.99  286.955  385.101   5.5658  381.839   5.9177 3.261841 8.123878 
1 1 1   42    6   11 o  144.719   5.6548  1342.16  101.915  1313.36  131.208  1385.96  161.817  142.964   7.2270  146.473   8.6994 -3.508743 11.30964 
1 1 1   42    6   12 o   92.829   8.0378  525.541   90.536  436.037  109.934  714.198  159.605   81.636   10.604  104.022   12.082 -22.38625 16.07557 
1 1 1   42    6   13 o   59.683   10.857  259.845   82.241  289.874  103.433  208.230  135.606   64.802   13.021   54.565   17.376 10.23743 21.71345 
1 1 1   42    6   14 o  144.493   7.2967  1353.17  133.890  1353.17  133.890   0.0000   0.0000  144.493   7.2967  ?   ?       ?      ? 
1 1 1   42    6   15 o  218.016   6.2818  3072.70  173.921  3072.70  173.921   0.0000   0.0000  218.016   6.2818  ?   ?       ?      ? 
1 1 1   42    6   16 o  226.924   4.3591  3340.34  124.440  3354.34  165.350  3322.05  188.976  227.800   5.7157  226.049   6.5830 1.751007 8.718151 
1 1 1   42    6   17 o   36.214   10.819   42.564   85.444   55.287  114.241   26.410  128.723   36.560   15.115   35.867   15.483 0.6934547 21.63800 
1 1 1   42    6   18 f   42.490   12.417   93.848  112.940   13.087  166.755  162.287  153.507   37.969   16.956   47.011   18.145 -9.041695 24.83415 
1 1 1   42    8    0 o  152.790   8.0309  1494.68  155.825  1494.68  155.825   0.0000   0.0000  152.790   8.0309  ?   ?       ?      ? 
1 1 1   42    8    1 o   34.141   10.922 -70.0199  100.823 -48.4869  132.403 -99.7397  155.549   33.851   15.113   34.430   15.771 -0.5793991 21.84312 
1 1 1   42    8    2 o   44.381   12.075   55.302   99.938 -29.3753  129.446  180.253  157.244   34.566   15.213   54.195   18.756 -19.62972 24.14954 
1 1 1   42    8    3 o  253.309   4.1386  4084.74  132.214  4020.19  176.263  4167.77  199.921  251.091   5.5278  255.527   6.1609 -4.436462 8.277265 
1 1 1   42    8    4 o   43.683   11.920   80.599   97.750  140.816  125.828 -11.0564  155.238   48.270   16.774   39.097   16.940 9.173248 23.83979 
1 1 1   42    8    5 o   90.298   8.8683  519.213  100.532  430.528  132.317  640.317  154.623   81.320   12.813   99.276   12.265 -17.95586 17.73660 
1 1 1   42    8    6 o   95.161   9.4049  633.075  103.801  771.222  137.153  447.855  158.811  109.322   9.8792   81.000   16.007 28.32241 18.80977 
1 1 1   42    8    7 o  117.087   6.8840  889.089  100.582  905.037  131.359  866.488  156.378  118.559   8.7247  115.615   10.651 2.943817 13.76805 
1 1 1   42    8    8 o   42.894   11.950   77.342   93.741   67.438  119.815   92.973  150.516   40.280   15.889   45.508   17.854 -5.227810 23.90091 
1 1 1   42    8    9 o  202.678   4.6160  2613.45  117.068  2519.51  151.858  2751.05  183.795  198.369   6.0282  206.987   6.9922 -8.618057 9.231996 
1 1 1   42    8   10 o   53.713   12.569  185.197  104.886   95.331  147.909  276.096  148.756   45.017   17.687   62.410   17.863 -17.39286 25.13782 
1 1 1   42    8   11 o  123.862   7.1093  1043.90  103.079  1120.68  126.685  893.482  177.314  131.683   7.5756  116.041   12.032 15.64168 14.21866 
1 1 1   42    8   12 o   29.586   9.8037 -125.3347   95.328 -46.5221  121.940 -249.2075  152.875   31.596   14.271   27.576   13.445 4.020060 19.60737 
1 1 1   42    8   13 o  104.576   16.986  780.715  225.582  780.715  225.582   0.0000   0.0000  104.576   16.986  ?   ?       ?      ? 
1 1 1   42    8   14 o   84.138   12.815  579.500  134.343  725.578  171.900  350.275  215.334  102.482   13.208   65.793   21.964 36.68893 25.62944 
1 1 1   42    8   15 f  213.203   6.5868  3158.12  165.575  3436.84  206.047  2650.08  278.187  229.249   7.0775  197.157   11.111 32.09111 13.17352 
1 1 1   42    8   16 o   48.996   18.229  178.804  151.584  178.804  151.584   0.0000   0.0000   48.996   18.229  ?   ?       ?      ? 
1 1 1   42   10    0 o   94.082   8.4560  575.535   98.287  578.064  125.528  571.529  158.008   94.597   10.449   93.568   13.298 1.029312 16.91197 
1 1 1   42   10    1 o  117.984   7.7504  897.623  107.383  891.464  129.171  911.404  193.211  117.766   8.6371  118.201   12.872 -0.4352188 15.50084 
1 1 1   42   10    2 o  137.780   6.8161  1260.40  114.942  1397.04  149.534  1063.08  179.695  147.517   7.9821  128.043   11.051 19.47450 13.63229 
1 1 1   42   10    3 o  136.640   6.5740  1181.93  112.887  1050.86  147.278  1368.61  175.768  127.677   9.0834  145.603   9.5059 -17.92590 13.14799 
1 1 1   42   10    4 o  124.254   11.367  1005.13  179.366   0.0000   0.0000  1005.13  179.366  ?   ?   124.254   11.367      ?      ? 
1 1 1   42   10    5 o   47.715   12.603  124.305  100.690  120.390  128.435  130.550  162.197   45.969   16.836   49.461   18.759 -3.491478 25.20644 
1 1 1   42   10    6 o  100.726   8.2478  682.925   98.125  719.758  120.745  611.291  168.388  105.465   9.0154   95.988   13.814 9.476868 16.49553 
1 1 1   42   10    7 o  136.611   7.1909  1202.37  123.823  1340.00  189.805  1100.40  163.377  143.238   10.434  129.983   9.8975 13.25475 14.38189 
1 1 1   42   10    8 o  130.895   6.8900  1124.58  113.374  1070.39  170.353  1167.68  151.899  127.760   10.500  134.031   8.9242 -6.271500 13.77993 
1 1 1   42   10    9 o   97.609   15.086  938.883  153.364  1049.59  166.160  302.031  398.527  126.283   10.361   68.934   28.337 57.34875 30.17160 
1 1 1   42   10   10 o  193.693   8.7793  2726.74  188.245  4092.32  263.410  1301.31  269.121  250.522   8.2796  136.864   15.484 113.6580 17.55857 
1 1 1   42   10   11 o  245.105   6.7760  3972.95  210.690  4027.45  292.691  3914.33  303.525  247.104   9.3272  243.106   9.8316 3.998505 13.55199 
1 1 1   42   10   12 f  115.696   11.079  1017.92  145.331  1297.13  194.383  664.027  218.841  138.633   11.041   92.758   19.210 45.87473 22.15709 
1 1 1   42   10   13 o   88.988   12.543  653.083  133.555  798.809  171.034  425.387  213.792  107.207   12.563   70.769   21.714 36.43808 25.08654 
1 1 1   42   10   14 o   40.375   16.706   78.792  139.719   78.792  139.719   0.0000   0.0000   40.375   16.706  ?   ?       ?      ? 
1 1 1   42   12    0 o   44.462   13.390   34.981  129.035 -30.9956  224.743   67.424  157.600   44.961   19.903   43.962   17.916 0.9991951 26.77937 
1 1 1   42   12    1 o  182.965   6.7956  2117.14  155.609  2542.80  246.895  1836.62  200.430  197.717   9.8331  168.214   9.3826 29.50337 13.59128 
1 1 1   42   12    2 o  164.022   17.952  2284.17  230.912  2406.58  250.568  1594.53  594.743  191.984   10.277  136.060   34.401 55.92313 35.90327 
1 1 1   42   12    3 o   63.807   19.709  120.885  192.467   97.604  202.560  337.190  617.427   49.510   20.260   78.103   33.813 -28.59307 39.41807 
1 1 1   42   12    4 o   71.750   20.307  260.549  177.458  229.687  185.387  598.372  613.352   58.019   20.349   85.481   35.148 -27.46244 40.61375 
1 1 1   42   12    5 o   46.975   15.586 -43.6513  168.607   15.783  177.465 -594.8700  540.448   41.903   18.135   52.046   25.355 -10.14265 31.17279 
1 1 1   42   12    6 o  114.857   16.241  1073.66  165.987  1101.35  180.288  919.615  425.250  128.770   11.025  100.943   30.555 27.82694 32.48272 
1 1 1   42   12    7 o   54.554   14.126  139.611  171.402  385.748  200.144 -537.5421  331.969   70.476   20.879   38.632   19.033 31.84423 28.25222 
1 1 1   42   12    8 o   92.827   12.760  835.914  195.609  1346.97  238.115 -224.7617  343.038  139.958   13.397   45.696   21.720 94.26196 25.51912 
1 1 1   42   12    9 o   66.416   14.015  367.120  162.632  583.928  199.708 -59.7272  280.217   87.268   18.590   45.564   20.980 41.70317 28.03064 
1 1 1   42   12   10 o  152.009   9.3353  1748.85  160.137  2048.62  200.049  1214.12  267.184  175.507   8.9756  128.511   16.372 46.99580 18.67063 
1 1 1   42   12   11 o   86.528   12.110  537.439  120.265  465.709  143.422  707.341  220.732   79.241   14.797   93.816   19.175 -14.57451 24.21998 
1 1 1   42   14    1 o  226.477   6.1772  3310.93  177.662  3310.93  177.662   0.0000   0.0000  226.477   6.1772  ?   ?       ?      ? 
1 1 1   42   14    2 o  194.789   6.7891  2459.79  167.941  2459.79  167.941   0.0000   0.0000  194.789   6.7891  ?   ?       ?      ? 
1 1 1   42   14    3 o   20.017   10.172 -492.7473  137.433 -492.7473  137.433   0.0000   0.0000   20.017   10.172  ?   ?       ?      ? 
1 1 1   42   14    4 o   38.163   16.032   45.772  131.553   45.772  131.553   0.0000   0.0000   38.163   16.032  ?   ?       ?      ? 
1 1 1   42   14    5 o   31.939   14.420 -34.4725  124.325 -34.4725  124.325   0.0000   0.0000   31.939   14.420  ?   ?       ?      ? 
1 1 1   42   14    6 o   51.480   16.354  199.635  120.172  199.635  120.172   0.0000   0.0000   51.480   16.354  ?   ?       ?      ? 
1 1 1   42   14    7 o  120.746   8.2512  967.988  126.523  967.988  126.523   0.0000   0.0000  120.746   8.2512  ?   ?       ?      ? 
1 1 1   42   14    8 o  105.100   9.4053  747.065  125.531  747.065  125.531   0.0000   0.0000  105.100   9.4053  ?   ?       ?      ? 
1 1 1   42   14    9 o   28.693   13.280 -56.2451  114.412 -56.2451  114.412   0.0000   0.0000   28.693   13.280  ?   ?       ?      ? 
1 1 1   42   16    0 o   57.205   17.904  264.233  144.524  264.233  144.524   0.0000   0.0000   57.205   17.904  ?   ?       ?      ? 
1 1 1   42   16    1 o   56.505   17.459  257.359  137.931  257.359  137.931   0.0000   0.0000   56.505   17.459  ?   ?       ?      ? 
1 1 1   42   16    2 o   81.705   13.480  483.646  139.863  483.646  139.863   0.0000   0.0000   81.705   13.480  ?   ?       ?      ? 
1 1 1   42   16    3 o   43.747   17.383  128.674  144.381  128.674  144.381   0.0000   0.0000   43.747   17.383  ?   ?       ?      ? 
1 1 1   43    1    0 o  165.149   4.7632  1739.30   99.882  1720.63  139.797  1758.77  142.759  164.247   6.7023  166.050   6.7700 -1.803223 9.526415 
1 1 1   43    1    1 o   68.295   10.215  315.172   85.844  353.326  119.667  274.722  123.214   72.827   13.434   63.764   15.392 9.063263 20.42977 
1 1 1   43    1    2 o  140.008   5.1789  1245.32   91.842  1152.10  124.773  1355.56  135.681  134.320   7.3148  145.696   7.3332 -11.37645 10.35771 
1 1 1   43    1    3 o   57.256   11.408  230.126   84.838  261.221  101.033  155.776  156.228   62.419   13.160   52.092   18.639 10.32771 22.81662 
1 1 1   43    1    4 o  181.901   5.9530  2109.43  137.514   0.0000   0.0000  2109.43  137.514  ?   ?   181.901   5.9530      ?      ? 
1 1 1   43    1    5 o  137.503   5.3959  1207.63   93.745  1049.75  129.963  1378.87  135.351  128.098   7.9891  146.908   7.2550 -18.81013 10.79170 
1 1 1   43    1    6 o  280.262   3.8911  5005.32  138.470  5095.15  197.634  4918.71  194.067  282.731   5.5044  277.793   5.5011 4.937775 7.782103 
1 1 1   43    1    7 o   93.494   7.5436  565.023   89.141  502.277  126.014  627.867  126.113   88.206   11.250   98.783   10.053 -10.57662 15.08718 
1 1 1   43    1    8 o  160.278   4.8670  1641.35   99.035  1665.13  142.133  1618.92  138.068  161.398   6.9345  159.159   6.8310 2.239532 9.734010 
1 1 1   43    1    9 o  179.901   4.5530  2070.07  103.885  2121.93  144.488  2014.57  149.469  182.270   6.2422  177.533   6.6297 4.737503 9.105952 
1 1 1   43    1   10 f  108.104   6.6993  745.401   91.427  681.820  121.500  828.399  138.819  102.875   9.3002  113.333   9.6453 -10.45853 13.39865 
1 1 1   43    1   11 o  226.689   4.0314  3258.07  115.507  3033.39  154.447  3543.25  173.999  217.917   5.5810  235.460   5.8191 -17.54230 8.062793 
1 1 1   43    1   12 f  201.242   4.2680  2586.60  108.935  2478.39  149.507  2709.06  159.050  196.779   5.9828  205.704   6.0885 -8.924484 8.536037 
1 1 1   43    1   13 o  231.478   3.9894  3431.46  117.192  3440.80  162.867  3421.44  168.761  231.842   5.5317  231.114   5.7500 0.7285156 7.978899 
1 1 1   43    1   14 o   56.778   11.252  228.273   85.359  185.916  121.262  269.877  120.177   51.824   16.424   61.733   15.385 -9.908806 22.50417 
1 1 1   43    1   15 o   24.879   8.5156 -174.7222   82.630 -196.8802  115.968 -151.8716  117.766   23.916   11.672   25.842   12.403 -1.925888 17.03113 
1 1 1   43    1   16 o  214.745   6.2039  2980.80  169.186  2980.80  169.186   0.0000   0.0000  214.745   6.2039  ?   ?       ?      ? 
1 1 1   43    1   17 o   75.051   9.1198  395.584   84.993  371.172  119.359  420.695  121.056   71.931   13.564   78.171   12.194 -6.240700 18.23965 
1 1 1   43    1   18 o  208.873   4.2254  2837.95  112.011  2844.97  155.824  2830.44  161.125  209.232   5.8645  208.514   6.0848 0.7177277 8.450856 
1 1 1   43    1   19 o   96.875   10.134  697.443  123.733  676.576  183.842  714.723  167.296   94.565   15.309   99.185   13.282 -4.620453 20.26730 
1 1 1   43    3    0 f   55.166   11.203  187.310   87.490   92.572  116.860  308.135  131.973   42.840   15.992   67.493   15.694 -24.65316 22.40664 
1 1 1   43    3    1 o  205.530   4.0075  2694.05  104.397  2736.44  143.913  2646.97  151.672  207.263   5.4676  203.798   5.8604 3.465134 8.014940 
1 1 1   43    3    2 o  196.259   5.5310  2454.00  137.852  2454.00  137.852   0.0000   0.0000  196.259   5.5310  ?   ?       ?      ? 
1 1 1   43    3    3 o  187.345   5.7932  2237.13  137.829  2237.13  137.829   0.0000   0.0000  187.345   5.7932  ?   ?       ?      ? 
1 1 1   43    3    4 o  164.949   7.8222  1740.03  163.853   0.0000   0.0000  1740.03  163.853  ?   ?   164.949   7.8222      ?      ? 
1 1 1   43    3    5 o  318.995   5.3572  6484.44  217.021  6484.44  217.021   0.0000   0.0000  318.995   5.3572  ?   ?       ?      ? 
1 1 1   43    3    6 o  163.033   4.7669  1696.27   98.529  1837.22  141.546  1563.78  137.236  169.622   6.5711  156.445   6.9076 13.17755 9.533847 
1 1 1   43    3    7 o   67.554   10.160  308.623   84.577  266.981  118.357  352.077  120.904   62.668   15.059   72.440   13.643 -9.772331 20.32047 
1 1 1   43    3    8 o  201.857   6.0970  2601.34  156.292   0.0000   0.0000  2601.34  156.292  ?   ?   201.857   6.0970      ?      ? 
1 1 1   43    3    9 o  232.075   4.0462  3438.01  119.175  3441.89  165.701  3433.86  171.530  232.232   5.6185  231.917   5.8241 0.3148499 8.092473 
1 1 1   43    3   10 o  107.800   6.9114  744.087   93.940  698.327  124.247  805.155  143.532  104.034   9.4044  111.567   10.131 -7.532257 13.82290 
1 1 1   43    3   11 o  261.336   3.9667  4364.92  131.601  4369.49  183.777  4360.11  188.539  261.499   5.5341  261.173   5.6845 0.3263550 7.933460 
1 1 1   43    3   12 o  213.846   4.3129  2937.14  116.701  3029.95  159.986  2831.60  170.605  217.560   5.7906  210.132   6.3932 7.427750 8.625839 
1 1 1   43    3   13 o  278.631   3.9168  4981.11  138.309  5120.08  191.320  4828.97  200.176  282.801   5.3273  274.461   5.7432 8.339600 7.833512 
1 1 1   43    3   14 o   62.157   10.416  280.219   84.744  359.532  112.954  178.091  128.175   73.374   12.122   50.939   16.943 22.43510 20.83282 
1 1 1   43    3   15 o   56.828   17.138  236.273  133.974  236.273  133.974   0.0000   0.0000   56.828   17.138  ?   ?       ?      ? 
1 1 1   43    3   16 o  178.148   4.6924  2072.44  104.800  2148.57  139.219  1972.88  159.202  182.293   6.0138  174.003   7.2047 8.290146 9.384723 
1 1 1   43    3   17 o  145.544   5.2496  1386.63   96.854  1333.69  132.240  1447.89  142.252  142.633   7.3007  148.455   7.5455 -5.821945 10.49925 
1 1 1   43    3   18 o  221.369   4.1145  3191.62  115.492  3260.00  160.122  3117.48  166.740  224.014   5.6285  218.724   6.0030 5.290405 8.228979 
1 1 1   43    5    0 o  158.007   6.4574  1592.78  129.573  1592.78  129.573   0.0000   0.0000  158.007   6.4574  ?   ?       ?      ? 
1 1 1   43    5    1 o  230.119   5.7413  3375.27  167.779  3375.27  167.779   0.0000   0.0000  230.119   5.7413  ?   ?       ?      ? 
1 1 1   43    5    2 o  326.960   4.1715  6813.63  173.012  7264.12  247.336  6382.02  242.099  337.567   5.7696  316.352   6.0262 21.21573 8.342907 
1 1 1   43    5    4 o   45.056   12.326   90.240   99.778   79.151  133.368  104.338  150.374   43.154   16.841   46.959   18.002 -3.804920 24.65128 
1 1 1   43    5    5 f  124.702   6.4216  1014.90   99.388  1094.36  130.832  906.470  152.831  130.739   7.8801  118.666   10.142 12.07294 12.84326 
1 1 1   43    5    6 o   81.541   9.5028  445.247   93.843  473.057  123.211  406.826  144.821   85.541   11.342   77.542   15.250 7.999603 19.00568 
1 1 1   43    5    7 o  273.866   4.0594  4765.13  139.948  4634.45  184.919  4940.33  214.106  269.568   5.4018  278.163   6.0611 -8.595276 8.118855 
1 1 1   43    5    8 o  113.633   6.7190  829.173   95.096  816.909  122.648  847.659  150.581  112.741   8.5665  114.525   10.354 -1.784767 13.43809 
1 1 1   43    5    9 o  112.506   6.8206  804.724   95.730  752.778  122.737  885.408  152.967  108.079   8.9425  116.933   10.301 -8.854073 13.64111 
1 1 1   43    5   10 o  176.715   4.6295  1998.07  102.814  1982.33  135.733  2019.25  157.481  176.010   6.0726  177.420   6.9895 -1.410019 9.259031 
1 1 1   43    5   11 f   28.844   9.5545 -110.4249   87.015 -88.8026  113.499 -141.2539  135.526   28.375   13.166   29.314   13.850 -0.9386959 19.10892 
1 1 1   43    5   12 o  219.566   4.2958  3093.51  118.410  3091.95  156.130  3095.62  181.671  219.676   5.5966  219.455   6.5187 0.2209015 8.591622 
1 1 1   43    5   13 o  194.340   4.5386  2431.88  109.634  2430.05  141.302  2434.65  173.781  194.530   5.7198  194.151   7.0483 0.3794403 9.077188 
1 1 1   43    5   14 o   37.840   11.146  -2.1954   99.487  128.222  135.760 -153.4680  146.213   45.901   17.217   29.778   14.161 16.12294 22.29261 
1 1 1   43    5   15 o  148.471   5.6738  1442.89  106.944  1486.60  153.393  1401.54  149.179  150.662   8.0173  146.280   8.0305 4.381683 11.34751 
1 1 1   43    5   16 o  195.870   4.3523  2481.99  108.008  2377.43  146.798  2605.40  159.482  191.468   6.0374  200.273   6.2706 -8.805237 8.704642 
1 1 1   43    5   17 o  108.701   7.2198  808.284   98.695  835.438  132.431  774.362  148.018  111.348   9.3654  106.054   10.990 5.294434 14.43950 
1 1 1   43    7    0 o   24.596   8.6846 -392.2430  108.388 -346.5188  139.187 -462.6909  172.766   23.615   11.755   25.576   12.787 -1.960407 17.36916 
1 1 1   43    7    1 o   30.766   10.050 -162.1522   96.081 -288.4672  129.523  -7.5954  143.272   23.676   11.707   37.856   16.339 -14.17953 20.09982 
1 1 1   43    7    2 o   95.282   8.4884  582.054  101.368  554.565  131.790  621.875  158.621   92.673   11.198   97.892   12.760 -5.219887 16.97672 
1 1 1   43    7    3 f  148.510   5.4880  1415.84  102.468  1439.33  136.308  1385.32  155.383  150.023   7.1546  146.997   8.3238 3.026352 10.97603 
1 1 1   43    7    4 o  174.673   5.1027  1948.17  111.605  1928.82  145.804  1975.56  173.434  173.734   6.6085  175.612   7.7768 -1.877243 10.20549 
1 1 1   43    7    5 o  124.969   6.1186  984.077   95.008  916.643  120.704  1093.89  154.031  119.562   7.9497  130.376   9.3032 -10.81400 12.23712 
1 1 1   43    7    6 o  151.079   5.5025  1447.82  103.414  1386.97  132.266  1543.53  165.876  147.173   7.0769  154.984   8.4279 -7.811768 11.00505 
1 1 1   43    7    7 o   45.307   12.067  107.080   92.934  109.745  118.638  102.848  149.510   44.277   16.187   46.338   17.901 -2.060410 24.13420 
1 1 1   43    7    8 o  142.566   5.6482  1301.37  100.086  1278.05  128.448  1337.41  159.682  141.128   7.1670  144.003   8.7318 -2.875534 11.29649 
1 1 1   43    7    9 o   56.595   12.313  222.858   97.759  252.228  126.712  179.669  153.657   60.142   16.219   53.048   18.530 7.093761 24.62586 
1 1 1   43    7   10 o  220.159   4.2119  3116.02  117.177  3207.68  159.451  3008.41  172.777  223.807   5.6102  216.511   6.2839 7.296555 8.423856 
1 1 1   43    7   11 o  110.805   6.8620  772.309   93.403  690.407  115.836  924.534  157.921  102.998   8.8559  118.612   10.484 -15.61345 13.72391 
1 1 1   43    7   12 o  151.589   5.4186  1502.65  102.440  1558.35  134.410  1425.46  158.232  155.309   6.8149  147.869   8.4263 7.439804 10.83723 
1 1 1   43    7   14 o  146.816   6.5091  1413.57  120.706  1587.29  182.396  1278.21  161.006  154.705   9.2840  138.928   9.1259 15.77713 13.01822 
1 1 1   43    7   15 o  112.662   10.875  956.095  132.005  1003.21  157.141  843.143  243.316  121.923   10.149  103.402   19.237 18.52007 21.75045 
1 1 1   43    7   16 f   95.749   13.028  726.739  140.264  724.531  166.931  732.040  258.699  100.837   13.036   90.660   22.560 10.17674 26.05577 
1 1 1   43    9    0 o  164.858   5.7069  1725.76  116.385  1669.03  147.589  1819.06  189.264  161.480   7.1971  168.236   8.8587 -6.756134 11.41380 
1 1 1   43    9    1 o   44.835   12.181   90.260   96.698   62.377  126.331  129.707  150.264   40.775   16.242   48.895   18.157 -8.119400 24.36197 
1 1 1   43    9    2 o  110.730   7.9804  793.679  108.501  788.909  136.884  801.741  177.964  110.580   9.7476  110.881   12.639 -0.3001404 15.96089 
1 1 1   43    9    3 o  209.536   4.7333  2778.86  122.141  2686.27  153.730  2937.37  201.137  205.042   5.9039  214.030   7.4001 -8.988327 9.466681 
1 1 1   43    9    4 o   62.276   11.604  289.516   98.982  380.135  123.270  125.048  166.070   75.062   13.425   49.490   18.931 25.57243 23.20760 
1 1 1   43    9    5 o  142.082   6.1307  1305.93  106.759  1318.09  134.834  1285.48  174.782  143.265   7.4111  140.899   9.7682 2.366440 12.26136 
1 1 1   43    9    6 o  173.845   5.3018  1970.87  112.069  2044.94  141.166  1844.61  184.302  178.669   6.2216  169.020   8.5864 9.648346 10.60356 
1 1 1   43    9    7 o  176.024   5.0460  1979.31  110.704  1923.74  142.554  2063.73  175.716  173.131   6.4838  178.917   7.7336 -5.786575 10.09196 
1 1 1   43    9    8 o  112.181   8.4300  827.517  118.712  1010.85  174.557  669.762  161.922  123.982   11.087  100.380   12.702 23.60167 16.86001 
1 1 1   43    9    9 o   35.136   11.126 -47.0964  103.597 -98.8024  148.285   2.2041  144.795   32.646   15.113   37.627   16.332 -4.980213 22.25150 
1 1 1   43    9   10 o   95.197   13.104  704.269  150.176  887.177  197.756  455.090  230.818  114.192   13.637   76.202   22.379 37.98943 26.20700 
1 1 1   43    9   11 o  290.588   6.1538  5538.47  227.055  5631.22  324.582  5449.58  317.735  292.946   8.7249  288.230   8.6806 4.716156 12.30755 
1 1 1   43    9   12 o   61.816   14.435  302.109  138.380  388.401  182.835  186.390  211.726   70.227   19.701   53.405   21.104 16.82224 28.87077 
1 1 1   43    9   13 o   43.238   13.192   44.397  137.978  134.374  174.295 -106.6493  225.825   47.301   18.997   39.175   18.308 8.126644 26.38321 
1 1 1   43    9   14 o   45.083   12.887  117.709  120.437  188.382  146.951 -26.8852  210.194   49.916   18.050   40.250   18.398 9.666218 25.77386 
1 1 1   43   11    0 o   46.276   12.591  100.550  104.500   61.274  139.365  150.994  157.941   41.756   16.910   50.797   18.660 -9.040344 25.18279 
1 1 1   43   11    1 o  198.243   6.2376  2524.91  155.064  2641.37  241.233  2442.91  202.425  201.868   9.4101  194.617   8.1904 7.250198 12.47524 
1 1 1   43   11    2 o   46.979   13.166   81.518  123.857 -38.3086  184.961  178.933  166.769   40.434   17.970   53.524   19.246 -13.09072 26.33115 
1 1 1   43   11    3 o   88.112   18.699  568.028  179.434  563.752  192.038  597.433  503.592   89.373   17.546   86.850   33.027 2.522636 37.39846 
1 1 1   43   11    4 o  120.608   16.802  1169.87  185.834  1213.89  203.736  951.914  453.355  135.537   11.837  105.679   31.450 29.85841 33.60332 
1 1 1   43   11    5 f  117.338   17.070  1061.28  176.402  1067.25  190.274  1024.75  470.610  126.856   11.811  107.819   32.032 19.03722 34.14059 
1 1 1   43   11    6 o   35.018   12.483 -413.4099  157.009 -401.7379  172.967 -468.0548  374.254   26.315   13.099   43.720   21.254 -17.40491 24.96630 
1 1 1   43   11    7 o  147.063   10.122  1627.80  167.574  2011.09  213.808  1017.40  269.816  174.794   9.6321  119.331   17.805 55.46272 20.24314 
1 1 1   43   11    8 o  211.820   7.1345  2838.14  187.307  2330.02  236.054  3701.94  307.776  187.569   9.9100  236.070   10.266 -48.50089 14.26904 
1 1 1   43   11    9 o   40.732   12.900 -39.2495  144.343   74.461  179.795 -245.4174  242.096   44.484   18.717   36.980   17.757 7.503353 25.80043 
1 1 1   43   11   10 o   48.462   13.010  149.353  120.104  237.123  149.551 -10.0875  201.566   55.704   18.290   41.220   18.508 14.48447 26.02054 
1 1 1   43   11   11 o   54.482   13.457  235.431  121.146  302.191  152.536  121.379  199.371   61.594   18.222   47.371   19.807 14.22367 26.91425 
1 1 1   43   11   12 o  261.781   7.6107  4533.29  253.013  4533.29  253.013   0.0000   0.0000  261.781   7.6107  ?   ?       ?      ? 
1 1 1   43   13    0 o  114.616   9.3522  861.603  136.125  861.603  136.125   0.0000   0.0000  114.616   9.3522  ?   ?       ?      ? 
1 1 1   43   13    1 f   86.453   11.131  497.773  122.203  497.773  122.203   0.0000   0.0000   86.453   11.131  ?   ?       ?      ? 
1 1 1   43   13    2 o  ?   ?  -604.4664  127.084 -604.4664  127.084   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   43   13    4 o   36.062   17.051 -165.8320  206.179 -165.8320  206.179   0.0000   0.0000   36.062   17.051  ?   ?       ?      ? 
1 1 1   43   13    5 o   41.392   18.555 -14.2079  201.755 -14.2079  201.755   0.0000   0.0000   41.392   18.555  ?   ?       ?      ? 
1 1 1   43   13    6 o  101.515   14.382  729.883  185.406  729.883  185.406   0.0000   0.0000  101.515   14.382  ?   ?       ?      ? 
1 1 1   43   13    7 o  141.167   11.065  1360.40  198.362  1360.40  198.362   0.0000   0.0000  141.167   11.065  ?   ?       ?      ? 
1 1 1   43   13    8 o  154.266   10.080  1615.01  197.479  1615.01  197.479   0.0000   0.0000  154.266   10.080  ?   ?       ?      ? 
1 1 1   43   13    9 o   59.544   20.710  308.871  191.830  308.871  191.830   0.0000   0.0000   59.544   20.710  ?   ?       ?      ? 
1 1 1   43   15    0 o   38.022   15.937   53.907  129.535   53.907  129.535   0.0000   0.0000   38.022   15.937  ?   ?       ?      ? 
1 1 1   43   15    1 o   45.218   16.875  140.699  130.110  140.699  130.110   0.0000   0.0000   45.218   16.875  ?   ?       ?      ? 
1 1 1   43   15    2 o  100.404   11.431  697.640  145.751  697.640  145.751   0.0000   0.0000  100.404   11.431  ?   ?       ?      ? 
1 1 1   43   15    3 o  127.027   9.2424  1088.12  149.093  1088.12  149.093   0.0000   0.0000  127.027   9.2424  ?   ?       ?      ? 
1 1 1   43   15    4 o   80.643   13.129  467.852  134.450  467.852  134.450   0.0000   0.0000   80.643   13.129  ?   ?       ?      ? 
1 1 1   43   15    5 o   43.261   18.989   76.092  200.516   76.092  200.516   0.0000   0.0000   43.261   18.989  ?   ?       ?      ? 
1 1 1   44    0    0 o   38.678   13.924  142.294  121.449  142.294  121.449  142.294  121.449   38.678   19.691   38.678   19.691 -0.000000 0.000000 
1 1 1   44    0    1 o  222.937   5.3517  3176.77  213.714  3176.77  213.714  3176.77  213.714  222.937   7.5685  222.937   7.5685 -0.000000 0.000000 
1 1 1   44    0    2 o  ?   ?  -431.0846  103.318 -431.0846  103.318 -431.0846  103.318  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   44    0    3 o   49.520   14.967  225.646  135.812  225.646  135.812  225.646  135.812   49.520   21.166   49.520   21.166 -0.000000 0.000000 
1 1 1   44    0    4 o  356.823   4.0064  8106.77  256.598  8106.77  256.598  8106.77  256.598  356.823   5.6659  356.823   5.6659 -0.000000 0.000000 
1 1 1   44    0    6 o  126.861   5.9275  1039.97  133.697  1039.97  133.697  1039.97  133.697  126.861   8.3828  126.861   8.3828 -0.000000 0.000000 
1 1 1   44    0    7 o   29.126   12.559   50.480  123.977   50.480  123.977   50.480  123.977   29.126   17.761   29.126   17.761 -0.000000 0.000000 
1 1 1   44    0    8 o  133.378   5.6838  1147.42  135.016  1147.42  135.016  1147.42  135.016  133.378   8.0380  133.378   8.0380 -0.000000 0.000000 
1 1 1   44    0    9 o  208.806   4.1780  2783.43  156.395  2783.43  156.395  2783.43  156.395  208.806   5.9087  208.806   5.9087 -0.000000 0.000000 
1 1 1   44    0   10 o  209.331   4.1774  2798.48  156.767  2798.48  156.767  2798.48  156.767  209.331   5.9078  209.331   5.9078 -0.000000 0.000000 
1 1 1   44    0   11 o  191.979   4.3455  2357.36  149.477  2357.36  149.477  2357.36  149.477  191.979   6.1454  191.979   6.1454 -0.000000 0.000000 
1 1 1   44    0   12 o   53.523   14.453  255.972  130.971  255.972  130.971  255.972  130.971   53.523   20.440   53.523   20.440 -0.000000 0.000000 
1 1 1   44    0   13 o  153.748   4.9388  1521.83  135.732  1521.83  135.732  1521.83  135.732  153.748   6.9845  153.748   6.9845 -0.000000 0.000000 
1 1 1   44    0   15 o  258.229   3.9629  4270.30  183.590  4270.30  183.590  4270.30  183.590  258.229   5.6044  258.229   5.6044 -0.000000 0.000000 
1 1 1   44    0   16 o   18.278   9.0640 -107.7385  112.913 -107.7385  112.913 -107.7385  112.913   18.278   12.818   18.278   12.818 -0.000000 0.000000 
1 1 1   44    0   17 o   71.363   11.616  392.104  129.602  392.104  129.602  392.104  129.602   71.363   16.427   71.363   16.427 -0.000000 0.000000 
1 1 1   44    0   18 o  144.657   5.5702  1372.40  143.731  1372.40  143.731  1372.40  143.731  144.657   7.8775  144.657   7.8775 -0.000000 0.000000 
1 1 1   44    2    0 o  229.279   5.4650  3349.01  159.121  3349.01  159.121   0.0000   0.0000  229.279   5.4650  ?   ?       ?      ? 
1 1 1   44    2    1 o  198.766   6.1034  2519.23  154.061  2519.23  154.061   0.0000   0.0000  198.766   6.1034  ?   ?       ?      ? 
1 1 1   44    2    2 o   34.665   10.168 -79.1350   91.040  112.493  123.250 -309.2444  135.059   45.356   16.511   23.974   11.872 21.38196 20.33615 
1 1 1   44    2    4 o  305.572   5.7248  5953.75  222.151   0.0000   0.0000  5953.75  222.151  ?   ?   305.572   5.7248      ?      ? 
1 1 1   44    2    5 o   27.890   9.3075 -132.2703   85.905 -130.3248  117.517 -134.5029  125.892   27.312   12.902   28.468   13.419 -1.156290 18.61509 
1 1 1   44    2    6 o   62.380   11.224  265.894   88.940  274.959  119.973  254.834  132.521   63.589   15.084   61.171   16.625 2.418102 22.44819 
1 1 1   44    2    7 o   85.082   8.0941  468.407   87.430  453.041  122.718  484.246  124.594   83.651   11.552   86.514   11.341 -2.863235 16.18820 
1 1 1   44    2    8 o  133.642   5.5722  1146.94   94.403  1178.73  130.893  1112.47  136.283  135.620   7.6000  131.663   8.1508 3.957565 11.14431 
1 1 1   44    2    9 o  101.825   7.1427  670.449   91.030  529.329  125.380  827.758  132.376   90.335   10.929  113.315   9.1991 -22.97944 14.28539 
1 1 1   44    2   10 o  125.414   5.6557  1009.93   89.816  990.093  121.954  1033.45  132.772  124.122   7.7369  126.706   8.2514 -2.584290 11.31133 
1 1 1   44    2   11 o  154.866   5.0154  1544.53   98.210  1584.55  133.888  1497.91  144.498  157.139   6.7094  152.594   7.4567 4.544937 10.03087 
1 1 1   44    2   12 o   70.715   10.344  351.195   92.651  190.455  129.944  517.412  132.140   52.847   17.029   88.582   11.747 -35.73512 20.68722 
1 1 1   44    2   13 o   63.035   10.709  281.368   84.610  282.480  117.088  280.153  122.401   63.267   14.831   62.803   15.453 0.4647560 21.41847 
1 1 1   44    2   16 o  232.307   3.8371  3484.91  113.098  3503.65  156.943  3464.66  163.126  233.043   5.3031  231.571   5.5471 1.471832 7.674158 
1 1 1   44    2   17 o   43.320   11.630  124.550   88.215  124.091  124.926  125.007  124.584   43.285   16.452   43.354   16.441 -0.6834793E-01 23.25909 
1 1 1   44    2   18 o  117.103   6.4719  929.804   96.209  898.420  135.560  961.655  136.566  115.007   9.2818  119.200   9.0217 -4.193497 12.94381 
1 1 1   44    4    0 o  193.149   6.7009  2381.29  164.364  2381.29  164.364   0.0000   0.0000  193.149   6.7009  ?   ?       ?      ? 
1 1 1   44    4    3 o   42.626   12.112   52.108  100.626   9.1975  133.582  108.400  152.999   37.715   16.015   47.538   18.174 -9.822174 24.22341 
1 1 1   44    4    4 o  119.499   6.6484  911.601  100.204  870.392  132.952  965.791  152.463  116.452   8.9902  122.545   9.7969 -6.093124 13.29676 
1 1 1   44    4    5 o  143.326   5.5764  1321.17  100.328  1354.77  133.202  1277.12  152.523  145.542   7.2069  141.109   8.5115 4.433182 11.15275 
1 1 1   44    4    6 o   38.088   11.234   25.909   90.338   30.371  125.082   21.044  130.613   38.086   15.787   38.089   15.986 -0.2712250E-02 22.46711 
1 1 1   44    4    7 o  234.211   3.9793  3512.13  117.536  3606.17  158.451  3397.08  175.261  237.786   5.2472  230.636   5.9838 7.149704 7.958619 
1 1 1   44    4    8 o  228.548   4.2848  3333.14  123.899  3278.39  167.516  3399.25  184.093  226.537   5.8229  230.559   6.2875 -4.022095 8.569636 
1 1 1   44    4    9 f  163.953   5.1823  1723.20  106.804  1711.93  141.144  1738.31  163.367  163.447   6.8000  164.459   7.8222 -1.012299 10.36468 
1 1 1   44    4   10 o  167.274   5.2524  1813.70  109.818  1892.00  145.031  1708.48  168.129  171.748   6.6495  162.801   8.1322 8.947342 10.50472 
1 1 1   44    4   11 o  124.005   5.9881  985.215   93.818  890.519  125.378  1105.70  141.423  117.317   8.4155  130.694   8.5209 -13.37717 11.97613 
1 1 1   44    4   12 o  163.801   4.8647  1744.07  100.042  1852.50  134.548  1610.00  149.610  169.759   6.2412  157.844   7.4638 11.91566 9.729321 
1 1 1   44    4   13 o   94.053   7.3976  586.491   88.028  605.977  120.803  564.429  128.538   95.914   9.9179   92.193   10.979 3.720306 14.79521 
1 1 1   44    4   14 o  259.942   5.6568  4351.63  186.734  4351.63  186.734   0.0000   0.0000  259.942   5.6568  ?   ?       ?      ? 
1 1 1   44    4   15 o  264.087   3.9843  4498.30  133.057  4451.80  179.703  4554.73  197.963  262.767   5.3853  265.406   5.8735 -2.638641 7.968609 
1 1 1   44    4   16 o   76.054   9.5565  424.042   87.361  468.751  114.634  362.104  134.924   82.861   10.894   69.247   15.704 13.61485 19.11301 
1 1 1   44    4   17 o  193.169   4.4871  2419.92  109.588  2164.73  147.565  2733.75  163.640  181.873   6.3891  204.466   6.3022 -22.59280 8.974258 
1 1 1   44    6    0 o  101.481   8.3196  666.574  105.243  669.944  136.654  661.661  164.990  101.974   10.552  100.988   12.865 0.9861450 16.63925 
1 1 1   44    6    1 o  269.557   4.2448  4629.38  144.104  4585.69  191.442  4686.51  218.894  268.171   5.6214  270.943   6.3618 -2.771881 8.489570 
1 1 1   44    6    2 o  124.396   6.8182  977.760  106.746  859.208  140.239  1141.06  164.593  115.602   9.5527  133.189   9.7311 -17.58744 13.63631 
1 1 1   44    6    3 o   41.282   11.687   42.866   96.118 -24.8142  131.456  120.619  140.899   35.105   15.393   47.459   17.591 -12.35395 23.37464 
1 1 1   44    6    4 o   69.733   11.609  343.580  101.038  397.298  131.720  266.791  157.487   76.873   14.009   62.594   18.515 14.27924 23.21759 
1 1 1   44    6    5 o  128.630   6.2473  1053.30  101.545  945.060  136.023  1189.55  152.618  121.239   8.8347  136.020   8.8354 -14.78136 12.49466 
1 1 1   44    6    6 o  181.053   4.7492  2113.02  107.231  2184.84  140.445  2012.64  166.044  184.916   5.9807  177.191   7.3791 7.725708 9.498456 
1 1 1   44    6    7 o   75.313   10.924  403.341  100.469  482.025  131.046  291.148  156.482   85.942   12.007   64.685   18.254 21.25684 21.84898 
1 1 1   44    6    8 o  173.484   5.1313  1926.46  112.450  1875.01  150.589  1991.31  169.065  170.958   6.9363  176.010   7.5638 -5.052078 10.26266 
1 1 1   44    6    9 o  107.555   7.3701  769.029   97.990  837.396  128.684  674.676  151.174  113.735   8.9095  101.375   11.743 12.35972 14.74013 
1 1 1   44    6   10 o  101.998   7.6597  683.924   95.199  687.419  119.283  677.792  157.996  102.834   9.1341  101.161   12.299 1.672729 15.31947 
1 1 1   44    6   11 o   59.844   11.672  252.628   91.466  217.461  122.375  297.140  137.679   55.397   16.303   64.291   16.710 -8.893246 23.34497 
1 1 1   44    6   12 o  145.567   5.6141  1380.71  103.193  1397.16  139.278  1360.70  153.652  146.730   7.4746  144.404   8.3788 2.325989 11.22825 
1 1 1   44    6   13 o  146.735   6.2380  1440.38  112.954  1543.89  147.103  1291.67  176.320  153.957   7.5239  139.512   9.9521 14.44550 12.47609 
1 1 1   44    6   14 f  163.653   5.1727  1757.14  105.132  1788.07  136.041  1711.28  165.652  165.956   6.4550  161.349   8.0845 4.607300 10.34535 
1 1 1   44    6   15 o   80.602   10.170  470.226   99.822  627.244  146.965  335.747  136.009   95.004   12.181   66.199   16.289 28.80521 20.34030 
1 1 1   44    6   16 o  202.036   6.7077  2728.37  159.253  2665.94  191.398  2868.82  287.097  200.712   7.5091  203.359   11.117 -2.647079 13.41542 
1 1 1   44    8    0 o   81.148   10.764  442.233  105.823  422.184  138.962  469.911  163.273   79.176   14.349   83.120   16.049 -3.944466 21.52812 
1 1 1   44    8    1 o  112.688   7.3458  811.405  104.480  741.546  138.712  903.007  158.839  107.178   10.191  118.197   10.582 -11.01835 14.69163 
1 1 1   44    8    2 o   84.445   10.094  460.444  102.031  422.579  126.605  530.603  172.333   80.546   12.377   88.344   15.948 -7.798126 20.18724 
1 1 1   44    8    3 o   54.240   12.438  193.186   97.026  193.053  126.558  193.375  151.118   53.747   16.743   54.733   18.399 -0.9861717 24.87662 
1 1 1   44    8    4 o  240.955   4.5055  3686.90  134.510  3590.09  171.274  3842.71  217.281  237.047   5.6896  244.862   6.9875 -7.814743 9.010918 
1 1 1   44    8    5 o   82.896   10.008  461.810  100.313  464.971  129.047  456.983  159.458   84.315   12.052   81.478   15.982 2.837570 20.01696 
1 1 1   44    8    6 o  120.437   7.1257  956.891  105.915  1013.62  137.265  873.414  166.507  125.283   8.6276  115.591   11.343 9.691277 14.25134 
1 1 1   44    8    7 o   92.440   8.4593  549.643   97.764  493.321  125.536  636.446  155.847   86.711   11.400   98.170   12.501 -11.45877 16.91868 
1 1 1   44    8    8 o  174.964   5.4094  2053.59  114.946  2340.55  149.739  1641.89  179.357  190.937   6.1754  158.990   8.8832 31.94667 10.81883 
1 1 1   44    8    9 o  119.280   7.7286  954.221  115.016  808.497  169.413  1078.81  156.650  110.177   12.108  128.384   9.6082 -18.20654 15.45716 
1 1 1   44    8   10 o  131.698   7.9132  1156.67  130.648  1139.60  200.276  1169.30  172.376  130.338   12.100  133.058   10.201 -2.720291 15.82641 
1 1 1   44    8   11 o  276.420   6.1887  5027.24  215.786  4339.56  302.797  5736.88  307.596  256.589   9.2926  296.250   8.1761 -39.66122 12.37738 
1 1 1   44    8   12 o  147.807   9.0914  1595.82  157.906  1930.06  205.712  1116.38  246.373  170.465   9.5027  125.149   15.502 45.31540 18.18273 
1 1 1   44    8   13 o   37.790   12.412 -67.2798  129.569 -68.1553  153.184 -65.0783  242.894   33.580   15.480   42.000   19.407 -8.419388 24.82470 
1 1 1   44    8   14 o  129.239   9.5048  1220.97  137.109  1264.74  162.540  1112.99  255.294  137.069   9.3378  121.409   16.558 15.66066 19.00970 
1 1 1   44    8   15 o  254.253   7.3249  4281.15  236.506  4281.15  236.506   0.0000   0.0000  254.253   7.3249  ?   ?       ?      ? 
1 1 1   44   10    0 o   68.853   19.608  335.308  179.714   0.0000   0.0000  335.308  179.714  ?   ?    68.853   19.608      ?      ? 
1 1 1   44   10    1 o   95.719   8.6094  573.195  102.004  437.743  130.041  789.831  164.456   81.604   12.549  109.834   11.791 -28.22997 17.21872 
1 1 1   44   10    2 o  119.741   8.7889  960.102  131.030  784.996  191.023  1115.70  180.070  108.742   13.833  130.740   10.846 -21.99850 17.57775 
1 1 1   44   10    3 o   82.242   12.146  463.583  122.115  592.994  188.722  370.373  160.165   92.252   16.725   72.233   17.618 20.01956 24.29223 
1 1 1   44   10    4 o  122.299   15.778  983.075  177.835  929.258  193.446  1276.72  451.866  118.285   12.878  126.312   28.808 -8.026436 31.55567 
1 1 1   44   10    5 o   59.986   17.031  201.705  173.324  220.491  192.663  121.973  396.921   57.592   20.689   62.381   27.059 -4.789818 34.06170 
1 1 1   44   10    6 o   84.646   17.284  523.497  171.230  490.139  192.652  648.971  373.639   81.676   18.942   87.616   28.917 -5.940247 34.56871 
1 1 1   44   10    7 o   97.927   13.351  715.219  153.057  750.314  189.302  648.963  260.105  104.755   14.230   91.099   22.593 13.65526 26.70121 
1 1 1   44   10    8 o  102.735   13.243  833.258  158.894  1019.15  205.715  558.339  250.172  122.209   13.255   83.261   22.931 38.94801 26.48636 
1 1 1   44   10    9 o   59.287   21.956 -273.7204  159.937  261.112  219.402 -880.2122  233.638   59.287   21.956  ?   ?       ?      ? 
1 1 1   44   10   10 o  130.574   9.6999  1309.81  141.122  1608.88  178.880  816.838  229.657  155.784   9.0419  105.363   17.164 50.42082 19.39976 
1 1 1   44   10   11 o   84.647   12.331  495.439  126.856  354.202  155.115  780.678  220.437   67.108   17.879  102.185   16.987 -35.07660 24.66234 
1 1 1   44   10   12 o   79.336   12.840  571.101  131.669  703.504  160.626  299.895  229.888   99.784   12.676   58.888   22.333 40.89523 25.67991 
1 1 1   44   10   13 o   53.043   19.067  233.595  163.669  233.595  163.669   0.0000   0.0000   53.043   19.067  ?   ?       ?      ? 
1 1 1   44   12    0 o   72.052   19.831  293.993  184.903  252.057  196.575  616.003  544.711   59.837   20.956   84.267   33.675 -24.42998 39.66271 
1 1 1   44   12    1 o   74.487   19.030  380.928  182.922  351.724  197.816  553.254  480.521   68.282   20.877   80.692   31.824 -12.40998 38.06033 
1 1 1   44   12    2 o   80.856   16.426  537.923  169.130  570.878  193.281  430.216  349.421   88.432   17.826   73.279   27.594 15.15248 32.85173 
1 1 1   44   12    3 o   32.053   16.234 -944.5678  160.461 -927.0043  183.511 -1001.6050  330.702  ?   ?    32.053   16.234      ?      ? 
1 1 1   44   12    4 o  214.762   7.9860  2838.85  204.337  2409.90  243.243  3867.35  376.652  190.654   10.047  238.871   12.417 -48.21716 15.97195 
1 1 1   44   12    5 o   26.093   13.083 -764.7063  160.695 -479.7748  186.981 -1569.7930  314.304   26.093   13.083  ?   ?       ?      ? 
1 1 1   44   12    6 o   36.243   12.334 -219.5646  153.776 -242.7534  188.214 -173.0061  266.694   31.526   15.266   40.960   19.375 -9.433912 24.66724 
1 1 1   44   12    7 o   61.057   15.738  305.651  158.838  336.248  199.269  252.335  263.046   63.984   21.118   58.130   23.340 5.854027 31.47602 
1 1 1   44   12    8 o   48.647   14.298  137.710  145.253  177.142  178.802   61.187  249.086   50.230   19.528   47.065   20.888 3.164478 28.59504 
1 1 1   44   12    9 o  143.306   8.5472  1531.14  142.520  1928.31  188.320  998.721  218.038  169.766   8.7351  116.846   14.694 52.91951 17.09436 
1 1 1   44   12   10 o   43.798   12.969   74.108  119.175  -8.9702  148.821  222.617  198.975   35.196   15.844   52.399   20.537 -17.20295 25.93846 
1 1 1   44   14    0 o   27.983   13.117 -91.8749  117.378 -91.8749  117.378   0.0000   0.0000   27.983   13.117  ?   ?       ?      ? 
1 1 1   44   14    1 o   23.335   11.500 -230.6647  121.519 -230.6647  121.519   0.0000   0.0000   23.335   11.500  ?   ?       ?      ? 
1 1 1   44   14    2 o   34.835   15.461  -5.9447  136.497  -5.9447  136.497   0.0000   0.0000   34.835   15.461  ?   ?       ?      ? 
1 1 1   44   14    3 o   90.252   12.349  568.895  141.537  568.895  141.537   0.0000   0.0000   90.252   12.349  ?   ?       ?      ? 
1 1 1   44   14    4 o   78.066   14.234  449.956  135.911  449.956  135.911   0.0000   0.0000   78.066   14.234  ?   ?       ?      ? 
1 1 1   44   14    5 o   39.961   16.194   88.345  127.885   88.345  127.885   0.0000   0.0000   39.961   16.194  ?   ?       ?      ? 
1 1 1   44   14    6 o   47.498   17.150  174.265  132.589  174.265  132.589   0.0000   0.0000   47.498   17.150  ?   ?       ?      ? 
1 1 1   45    1    0 o  216.414   5.4352  2704.66  138.109  3789.67  263.578  2294.02  162.151  243.259   8.5322  189.568   6.7356 53.69092 10.87047 
1 1 1   45    1    1 o  422.804   4.2765 11401.94  229.612 11492.23  324.474 11311.37  324.967  424.490   6.0191  421.118   6.0766 3.371429 8.553053 
1 1 1   45    1    2 o  303.441   5.5759  5869.73  214.867   0.0000   0.0000  5869.73  214.867  ?   ?   303.441   5.5759      ?      ? 
1 1 1   45    1    3 o   95.140   7.1477  583.879   85.676  494.444  119.814  677.460  122.560   87.581   10.773  102.700   9.3973 -15.11932 14.29544 
1 1 1   45    1    4 o   97.761   6.9239  613.377   85.848  640.975  125.379  589.018  117.790   99.814   9.8913   95.708   9.6913 4.105949 13.84773 
1 1 1   45    1    5 o  107.555   6.7090  739.586   91.366  675.492  124.041  815.604  135.087  102.485   9.5308  112.626   9.4449 -10.14115 13.41799 
1 1 1   45    1    6 o  206.321   4.1835  2701.90  109.186  2552.46  146.750  2887.21  163.416  199.992   5.7782  212.650   6.0513 -12.65866 8.366954 
1 1 1   45    1    7 o   43.178   11.531   84.686   91.511  150.607  120.376  -5.5734  140.856   48.852   16.421   37.504   16.193 11.34814 23.06257 
1 1 1   45    1    8 o  179.064   4.6822  2072.13  104.993  2194.93  140.012  1914.37  158.702  185.322   5.9493  172.806   7.2318 12.51575 9.364432 
1 1 1   45    1    9 o   34.945   10.788 -25.7900   89.546 -62.9308  116.139   28.658  140.618   30.313   13.785   39.578   16.598 -9.265162 21.57591 
1 1 1   45    1   10 o   26.162   8.9596 -200.7441   91.516 -186.5504  124.208 -217.5996  135.354   25.861   12.494   26.463   12.846 -0.6023769 17.91918 
1 1 1   45    1   11 o  117.769   6.5663  899.528   97.972  816.937  135.322  990.507  142.028  112.034   9.5113  123.504   9.0555 -11.47009 13.13264 
1 1 1   45    1   12 o  164.758   4.7307  1751.50   98.641  1782.94  134.781  1715.24  144.751  166.462   6.3758  163.055   6.9905 3.407608 9.461433 
1 1 1   45    1   13 o   66.256   10.607  312.035   86.124  306.231  112.189  320.364  134.391   65.970   13.833   66.541   16.082 -0.5701599 21.21320 
1 1 1   45    1   14 o  139.980   5.7703  1289.57  101.781  1452.70  142.898  1121.58  145.006  149.324   7.5356  130.636   8.7407 18.68839 11.54057 
1 1 1   45    1   15 o  204.989   3.9647  2717.62  103.057  2804.06  143.472  2625.48  148.128  208.475   5.4192  201.503   5.7886 6.972382 7.929438 
1 1 1   45    1   16 o   51.672   11.468  197.714   84.118  253.640  127.735  154.890  111.776   57.209   16.605   46.135   15.822 11.07463 22.93582 
1 1 1   45    1   17 o   38.550   11.115   72.356   87.773   23.145  125.178  119.952  123.106   34.805   15.147   42.295   16.270 -7.489967 22.22928 
1 1 1   45    3    0 o  359.111   5.7243  8222.19  261.054  8222.19  261.054   0.0000   0.0000  359.111   5.7243  ?   ?       ?      ? 
1 1 1   45    3    1 o  131.021   6.3004  1095.14  104.298  1045.03  139.420  1158.82  157.169  127.683   8.5984  134.361   9.2112 -6.678093 12.60072 
1 1 1   45    3    2 o  136.196   5.8872  1177.63  100.866  1113.93  132.415  1265.69  155.684  131.910   7.9047  140.483   8.7265 -8.572968 11.77439 
1 1 1   45    3    3 o  122.013   6.0969  965.971   92.910  1029.67  123.395  882.583  141.183  126.840   7.6606  117.186   9.4870 9.654678 12.19381 
1 1 1   45    3    4 o  190.593   5.4108  2338.62  127.175  2269.38  204.379  2382.38  162.458  188.082   8.5568  193.104   6.6248 -5.021576 10.82158 
1 1 1   45    3    5 o  309.890   3.8386  6126.94  150.455  6152.17  204.077  6096.88  222.691  310.652   5.1730  309.128   5.6726 1.523590 7.677159 
1 1 1   45    3    6 o   32.739   10.358 -55.5475   85.991 -87.0504  108.990  -3.6021  139.954   27.946   12.944   37.531   16.174 -9.585354 20.71532 
1 1 1   45    3    7 o   62.004   10.421  270.153   86.482  374.830  115.980  139.063  129.790   75.862   12.039   48.145   17.014 27.71721 20.84238 
1 1 1   45    3    8 o   40.613   11.538   57.204   91.159   34.464  125.217   82.847  132.968   38.193   15.810   43.033   16.810 -4.839787 23.07665 
1 1 1   45    3    9 o  280.339   3.9731  5022.90  141.297  4975.87  194.994  5074.90  205.031  278.998   5.5036  281.681   5.7317 -2.682800 7.946189 
1 1 1   45    3   10 o   95.829   7.6995  610.395   91.769  662.971  121.824  541.421  139.535  101.016   9.4965   90.642   12.122 10.37370 15.39900 
1 1 1   45    3   11 o  127.823   5.9845  1054.81   96.675  1010.96  129.465  1110.07  145.349  124.930   8.1603  130.716   8.7560 -5.785469 11.96907 
1 1 1   45    3   12 o   47.334   11.939  143.110   89.431  140.831  115.706  146.491  140.945   46.373   16.087   48.296   17.645 -1.923546 23.87728 
1 1 1   45    3   14 o  190.279   4.4276  2356.25  105.627  2431.51  140.108  2257.15  160.773  194.139   5.6830  186.420   6.7912 7.718323 8.855272 
1 1 1   45    3   15 o  232.386   4.0384  3495.86  118.744  3506.73  161.390  3483.04  175.333  232.971   5.4550  231.800   5.9563 1.171692 8.076765 
1 1 1   45    3   16 o   40.758   10.993   74.420   91.299  196.918  124.010 -70.5554  134.909   50.591   16.658   30.926   14.351 19.66504 21.98701 
1 1 1   45    3   17 o   38.313   12.230  -3.4802  128.286   60.439  178.657 -71.5181  184.324   41.145   17.995   35.481   16.568 5.664440 24.46081 
1 1 1   45    5    0 o  167.799   5.1977  1798.31  109.066  1786.41  142.148  1815.34  170.064  167.229   6.6935  168.370   7.9537 -1.140732 10.39539 
1 1 1   45    5    1 o  123.125   6.5339  1000.88   99.018  1125.24  130.644  833.013  151.786  132.573   7.7599  113.676   10.514 18.89698 13.06783 
1 1 1   45    5    2 o   42.438   11.867   72.119   92.918   81.100  117.575   57.178  151.644   41.601   15.925   43.275   17.598 -1.673561 23.73398 
1 1 1   45    5    3 o   43.754   11.667   75.154   90.179   13.738  116.751  165.985  141.983   35.695   15.054   51.814   17.829 -16.11928 23.33434 
1 1 1   45    5    4 o   68.800   11.065  311.476   91.868  274.458  114.843  377.258  153.092   63.489   14.555   74.111   16.670 -10.62119 22.13007 
1 1 1   45    5    5 o  128.678   6.5217  1094.08   99.577  1150.80  122.788  985.109  170.188  134.033   7.2139  123.323   10.867 10.70940 13.04339 
1 1 1   45    5    6 f  209.124   5.3554  2815.96  139.733  2754.56  217.669  2859.01  182.242  206.962   8.2819  211.287   6.7920 -4.325089 10.71080 
1 1 1   45    5    7 o  156.695   5.4490  1579.31  107.770  1590.83  144.974  1565.09  161.122  157.442   7.2509  155.949   8.1357 1.493164 10.89795 
1 1 1   45    5    8 o  147.601   5.6390  1414.09  103.585  1460.86  135.102  1347.40  161.350  150.817   7.0540  144.386   8.7997 6.430649 11.27798 
1 1 1   45    5    9 o  129.150   6.0740  1079.03   99.279  1071.26  134.745  1088.27  146.836  128.739   8.2418  129.561   8.9244 -0.8215637 12.14799 
1 1 1   45    5   10 f  125.300   6.2491  1020.98   98.602  1022.41  131.357  1019.14  149.237  125.593   8.2358  125.007   9.4007 0.5860672 12.49812 
1 1 1   45    5   11 o   33.489   10.368 -26.8240   88.476   46.171  116.095 -127.9559  136.651   37.296   15.308   29.682   13.988 7.613924 20.73672 
1 1 1   45    5   12 o   45.616   16.910  129.224  130.218  129.224  130.218   0.0000   0.0000   45.616   16.910  ?   ?       ?      ? 
1 1 1   45    5   13 o  145.725   7.4711  1385.18  138.261  1385.18  138.261   0.0000   0.0000  145.725   7.4711  ?   ?       ?      ? 
1 1 1   45    5   14 o   51.477   11.665  193.450   86.790  154.027  116.982  241.717  129.442   46.597   16.174   56.357   16.812 -9.760040 23.32952 
1 1 1   45    5   15 o   34.254   10.741  -7.0373   93.064 -39.4787  126.570   31.144  137.310   31.551   14.365   36.957   15.973 -5.406118 21.48206 
1 1 1   45    5   16 o  142.448   6.4345  1348.01  115.328  1590.92  177.749  1171.40  151.562  153.299   9.1304  131.597   9.0691 21.70132 12.86907 
1 1 1   45    7    0 o   71.169   11.556  326.606  102.988  214.221  132.242  499.824  164.178   56.438   17.029   85.899   15.626 -29.46125 23.11174 
1 1 1   45    7    1 o   94.704   8.5398  565.428  101.118  478.477  130.127  697.960  160.654   85.816   11.941  103.592   12.212 -17.77598 17.07950 
1 1 1   45    7    2 o  245.095   4.4034  3845.61  134.858  3873.54  176.063  3805.97  209.770  246.322   5.6284  243.869   6.7735 2.453110 8.806765 
1 1 1   45    7    3 o  160.333   5.3974  1662.89  108.120  1732.25  142.560  1568.98  165.886  164.469   6.8255  156.196   8.3630 8.273758 10.79478 
1 1 1   45    7    4 o  235.385   6.9091  3550.81  206.527   0.0000   0.0000  3550.81  206.527  ?   ?   235.385   6.9091      ?      ? 
1 1 1   45    7    5 o  126.615   6.3969  1028.72  102.432  962.871  137.443  1110.99  153.627  122.131   8.8617  131.098   9.2277 -8.967598 12.79378 
1 1 1   45    7    6 o   50.461   12.545  153.012   99.247  116.678  130.164  203.472  153.392   45.605   16.907   55.316   18.537 -9.710648 25.08911 
1 1 1   45    7    7 o  118.783   6.5109  922.236   95.061  942.753  121.036  889.205  153.575  120.865   7.8856  116.701   10.363 4.163780 13.02176 
1 1 1   45    7    8 o   68.943   12.986  345.401  116.484  299.062  168.281  388.028  161.400   64.341   19.164   73.545   17.529 -9.204285 25.97166 
1 1 1   45    7    9 f  170.546   5.3238  1893.02  110.784  1921.28  139.316  1844.43  182.705  172.756   6.3502  168.336   8.5466 4.420319 10.64757 
1 1 1   45    7   10 o  145.700   12.889  1436.83  238.491  1436.83  238.491   0.0000   0.0000  145.700   12.889  ?   ?       ?      ? 
1 1 1   45    7   11 o  216.780   5.9138  2938.13  154.682  3531.61  273.247  2658.25  187.643  231.371   9.2997  202.190   7.3080 29.18105 11.82754 
1 1 1   45    7   12 o   60.360   15.076  287.309  144.387  311.456  186.863  251.530  227.457   62.663   20.439   58.058   22.168 4.605556 30.15214 
1 1 1   45    7   13 o   35.760   11.696 -67.8114  122.573 -20.0248  149.911 -164.1930  212.901   35.539   15.959   35.980   17.104 -0.4404182 23.39299 
1 1 1   45    7   14 o  303.394   5.8614  6128.43  219.933  6127.91  281.374  6129.25  352.608  305.011   7.2643  301.778   9.2008 3.233490 11.72283 
1 1 1   45    7   15 o   97.929   12.985  693.308  161.479  693.308  161.479   0.0000   0.0000   97.929   12.985  ?   ?       ?      ? 
1 1 1   45    9    0 o  126.629   7.3666  1026.62  115.713  976.409  147.046  1108.28  187.525  122.874   9.4235  130.384   11.325 -7.509575 14.73330 
1 1 1   45    9    1 o  127.379   6.9640  1076.92  109.785  1219.69  146.855  896.037  165.295  137.536   8.4080  117.221   11.104 20.31511 13.92809 
1 1 1   45    9    2 o  140.639   6.3666  1272.83  110.332  1251.82  139.570  1307.84  180.150  139.404   7.8839  141.875   9.9989 -2.470657 12.73314 
1 1 1   45    9    3 o   51.323   13.370  135.429  116.682  243.600  181.880   59.774  152.107   59.844   20.185   42.802   17.540 17.04200 26.74095 
1 1 1   45    9    4 o  160.560   6.8462  1689.30  135.187  1633.13  218.210  1724.28  172.218  157.854   10.885  163.267   8.3062 -5.412491 13.69246 
1 1 1   45    9    5 o   52.321   16.033   66.955  170.863   78.993  193.251   23.842  365.718   47.479   19.647   57.163   25.343 -9.683613 32.06649 
1 1 1   45    9    6 o   71.648   16.226  175.747  137.677   62.709  148.905  841.625  361.406   42.162   17.325  101.133   27.441 -58.97149 32.45267 
1 1 1   45    9    7 o  195.851   7.4813  2653.88  176.613  3137.00  232.357  1992.85  271.790  219.440   8.3380  172.262   12.424 47.17805 14.96267 
1 1 1   45    9    8 o  ?   ?  -1100.8340  154.859 -1284.2480  222.643 -928.9396  215.538  ?   ?   ?   ?       ?      ? 
1 1 1   45    9    9 o  139.546   10.390  1323.78  171.091  2083.68  264.144  774.544  224.565  175.478   11.853  103.614   17.067 71.86409 20.77908 
1 1 1   45    9   10 o   53.070   12.689  164.499  132.389  384.118  170.521 -168.7525  210.053   70.139   18.773   36.000   17.078 34.13901 25.37863 
1 1 1   45    9   11 o   92.376   12.634  698.525  135.146  800.206  168.092  512.629  227.281  107.405   12.324   77.347   22.059 30.05829 25.26836 
1 1 1   45    9   12 o   58.204   13.644  287.627  125.989  365.065  158.991  156.929  206.552   67.163   18.191   49.246   20.339 17.91655 27.28740 
1 1 1   45    9   13 o   48.583   13.720  175.021  128.817  210.193  159.860  109.893  217.535   51.066   18.771   46.100   20.014 4.965996 27.43954 
1 1 1   45   11    0 o   63.766   18.513   16.670  187.354 -105.7308  203.855  682.254  475.367   38.963   17.923   88.569   32.398 -49.60644 37.02516 
1 1 1   45   11    1 o   86.084   16.447  642.393  170.550  699.194  184.512  309.125  446.936  101.483   14.317   70.684   29.614 30.79929 32.89301 
1 1 1   45   11    2 o   84.363   16.176  583.108  172.809  632.606  202.843  452.095  330.010   93.566   17.720   75.160   27.069 18.40570 32.35295 
1 1 1   45   11    3 o   78.574   15.010  486.941  150.291  517.644  183.447  424.267  262.098   84.131   17.729   73.016   24.225 11.11582 30.01981 
1 1 1   45   11    4 o   42.279   11.937 -67.8235  135.237  230.958  165.105 -676.9778  235.747   56.507   19.230   28.051   14.146 28.45663 23.87313 
1 1 1   45   11    5 o  233.176   6.6057  3587.97  193.659  3593.77  256.836  3580.32  294.829  234.027   8.6420  232.326   9.9930 1.700806 13.21147 
1 1 1   45   11    6 o   29.012   10.263 -520.0479  156.383 -561.0618  213.402 -472.4782  229.826   27.419   13.780   30.605   15.213 -3.185442 20.52566 
1 1 1   45   11    7 o   55.146   13.755  186.914  136.806  396.698  197.318  -7.2811  189.846   69.846   20.740   40.447   18.075 29.39862 27.51047 
1 1 1   45   11    8 o   51.429   13.127  168.945  129.581  331.248  169.887 -56.8376  200.374   64.096   19.292   38.761   17.808 25.33546 26.25454 
1 1 1   45   11    9 o   48.224   13.293  157.471  123.147  225.092  156.472   47.421  199.615   53.485   18.698   42.963   18.900 10.52237 26.58637 
1 1 1   45   11   10 o   63.676   10.933  356.404  123.377  584.951  150.466 -112.5646  215.537   90.303   13.121   37.049   17.493 53.25405 21.86643 
1 1 1   45   13    0 o   25.815   12.429 -156.0410  120.403 -156.0410  120.403   0.0000   0.0000   25.815   12.429  ?   ?       ?      ? 
1 1 1   45   13    1 o   60.402   19.065  284.302  163.524  284.302  163.524   0.0000   0.0000   60.402   19.065  ?   ?       ?      ? 
1 1 1   45   13    2 o   44.242   19.441   39.533  210.690   39.533  210.690   0.0000   0.0000   44.242   19.441  ?   ?       ?      ? 
1 1 1   45   13    3 o   77.261   20.162  487.619  199.913  487.619  199.913   0.0000   0.0000   77.261   20.162  ?   ?       ?      ? 
1 1 1   45   13    4 f   59.866   14.990  303.182  151.421  388.908  192.839  165.331  244.536   67.976   20.575   51.757   21.806 16.21903 29.98059 
1 1 1   45   13    5 o   92.680   12.620  702.078  143.087  964.345  198.564  418.775  206.374  116.168   13.460   69.192   21.352 46.97562 25.24007 
1 1 1   45   13    6 o   44.860   13.490   95.325  135.648  167.411  198.315   31.948  185.952   49.069   20.059   40.651   18.045 8.417957 26.98086 
1 1 1   45   13    7 o   38.808   12.567 -39.4001  142.956   74.569  202.603 -152.4011  201.741   43.374   19.062   34.242   16.381 9.131680 25.13342 
1 1 1   46    0    0 o   80.767   11.104  463.485  143.593  463.485  143.593  463.485  143.593   80.767   15.704   80.767   15.704 -0.000000 0.000000 
1 1 1   46    0    1 o   69.489   11.725  358.382  126.966  358.382  126.966  358.382  126.966   69.489   16.582   69.489   16.582 -0.000000 0.000000 
1 1 1   46    0    2 o   98.018   7.1276  633.208  122.430  633.208  122.430  633.208  122.430   98.018   10.080   98.018   10.080 -0.000000 0.000000 
1 1 1   46    0    3 o   24.616   11.169   6.0629  112.146   6.0629  112.146   6.0629  112.146   24.616   15.796   24.616   15.796 -0.000000 0.000000 
1 1 1   46    0    4 o   53.743   14.054  250.316  125.787  250.316  125.787  250.316  125.787   53.743   19.875   53.743   19.875 -0.000000 0.000000 
1 1 1   46    0    5 o   31.311   13.059   74.633  125.558   74.633  125.558   74.633  125.558   31.311   18.468   31.311   18.468 -0.000000 0.000000 
1 1 1   46    0    6 o   31.308   13.132   73.109  128.226   73.109  128.226   73.109  128.226   31.308   18.571   31.308   18.571 -0.000000 0.000000 
1 1 1   46    0    7 o  225.517   4.1643  3246.61  168.401  3246.61  168.401  3246.61  168.401  225.517   5.8892  225.517   5.8892 -0.000000 0.000000 
1 1 1   46    0    8 o   58.406   14.149  288.686  133.340  288.686  133.340  288.686  133.340   58.406   20.009   58.406   20.009 -0.000000 0.000000 
1 1 1   46    0    9 o  142.861   5.5459  1317.22  141.311  1317.22  141.311  1317.22  141.311  142.861   7.8431  142.861   7.8431 -0.000000 0.000000 
1 1 1   46    0   10 o  174.249   4.6064  1947.56  143.696  1947.56  143.696  1947.56  143.696  174.249   6.5144  174.249   6.5144 -0.000000 0.000000 
1 1 1   46    0   11 o   99.289   6.4458  650.019  112.712  650.019  112.712  650.019  112.712   99.289   9.1157   99.289   9.1157 -0.000000 0.000000 
1 1 1   46    0   13 o  109.747   6.8937  798.776  133.408  798.776  133.408  798.776  133.408  109.747   9.7491  109.747   9.7491 -0.000000 0.000000 
1 1 1   46    0   14 o  205.480   3.8545  2708.13  142.016  2708.13  142.016  2708.13  142.016  205.480   5.4511  205.480   5.4511 -0.000000 0.000000 
1 1 1   46    0   15 o   21.091   10.184 -57.2915  120.472 -57.2915  120.472 -57.2915  120.472   21.091   14.402   21.091   14.402 -0.000000 0.000000 
1 1 1   46    0   16 o   40.658   14.287  178.003  126.245  178.003  126.245  178.003  126.245   40.658   20.204   40.658   20.204 -0.000000 0.000000 
1 1 1   46    2    0 o  149.568   5.3669  1432.32  101.146  1439.78  135.097  1422.81  152.577  150.084   7.0881  149.053   8.0607 1.031693 10.73389 
1 1 1   46    2    1 o   78.792   9.9786  412.407   96.875  338.720  134.995  490.647  139.103   70.608   15.482   86.976   12.594 -16.36821 19.95711 
1 1 1   46    2    2 o  103.421   7.5555  698.315   97.937  767.334  132.962  616.453  144.804  109.233   9.5850   97.608   11.682 11.62551 15.11098 
1 1 1   46    2    3 o  214.475   5.8284  2954.17  140.466  2959.48  164.249  2939.69  271.017  215.327   6.0066  213.623   9.9901 1.703476 11.65683 
1 1 1   46    2    4 o  199.376   4.4162  2541.10  110.841  2554.24  147.574  2524.11  167.891  200.048   5.8090  198.704   6.6534 1.343140 8.832408 
1 1 1   46    2    5 o   85.898   8.4662  479.702   91.083  480.226  119.455  478.974  140.775   86.121   10.922   85.676   12.939 0.4456787 16.93250 
1 1 1   46    2    6 o  100.815   7.4436  654.534   94.241  633.896  123.555  683.243  145.728   99.054   9.8222  102.576   11.187 -3.521713 14.88722 
1 1 1   46    2    7 o  159.013   5.2524  1623.15  105.339  1623.94  141.029  1622.16  158.427  159.158   6.9776  158.869   7.8526 0.2893219 10.50474 
1 1 1   46    2    8 o  125.648   6.4406  1021.36  102.626  1027.74  141.745  1014.32  148.781  126.125   8.8497  125.171   9.3597 0.9536896 12.88111 
1 1 1   46    2    9 o  154.102   5.1055  1526.59   99.818  1558.35  144.930  1497.93  137.678  155.593   7.3348  152.611   7.1040 2.981796 10.21108 
1 1 1   46    2   10 o   82.697   8.9430  460.259   90.892  385.365  126.176  541.045  131.044   74.814   13.789   90.579   11.392 -15.76454 17.88602 
1 1 1   46    2   11 o   64.510   10.552  292.975   83.945  283.664  110.328  305.778  129.364   63.593   14.037   65.426   15.758 -1.833000 21.10310 
1 1 1   46    2   12 o  ?   ?  -563.0392  125.476 -563.0392  125.476   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   46    2   13 o   44.460   10.535   44.889   93.043 -170.5089  127.320  291.755  136.303   26.365   12.715   62.555   16.802 -36.18927 21.07074 
1 1 1   46    2   14 f   36.228   10.694   34.485   83.506 -12.7413  114.633   87.882  121.892   32.006   14.189   40.451   16.004 -8.444729 21.38859 
1 1 1   46    2   15 o   36.771   10.984   17.461   93.995 -82.5567  132.450  118.939  133.413   30.173   14.074   43.368   16.866 -13.19555 21.96731 
1 1 1   46    2   16 o  207.423   4.3551  2814.23  114.632  2866.57  160.069  2759.13  164.240  209.541   6.0153  205.305   6.2994 4.236328 8.710183 
1 1 1   46    4    0 o  164.932   6.6630  1738.02  139.558  1738.02  139.558   0.0000   0.0000  164.932   6.6630  ?   ?       ?      ? 
1 1 1   46    4    1 o  144.420   6.0690  1337.86  111.099  1229.84  155.121  1451.63  159.192  138.393   8.8263  150.447   8.3322 -12.05321 12.13792 
1 1 1   46    4    2 o  146.250   5.9250  1362.51  109.643  1239.14  147.981  1512.68  163.258  138.962   8.3855  153.538   8.3730 -14.57605 11.85007 
1 1 1   46    4    3 o   76.366   10.696  395.921  101.097  450.143  138.588  334.249  147.802   83.066   13.138   69.666   16.883 13.40070 21.39244 
1 1 1   46    4    4 o  182.171   4.9855  2120.03  114.523  2084.25  152.571  2166.21  173.326  180.497   6.6561  183.844   7.4240 -3.346954 9.970945 
1 1 1   46    4    5 o  201.819   6.5126  2433.59  140.458  2283.84  158.040  2996.50  306.415  188.895   6.5882  214.742   11.236 -25.84630 13.02516 
1 1 1   46    4    6 o  353.434   4.0782  7977.34  182.600  7885.93  249.057  8083.58  268.509  351.321   5.5823  355.548   5.9468 -4.226959 8.156405 
1 1 1   46    4    7 o  210.643   4.2865  2845.84  114.350  2925.74  157.399  2756.53  166.407  213.853   5.7957  207.432   6.3171 6.421814 8.573018 
1 1 1   46    4    8 o  164.485   5.0619  1725.01  103.801  1663.58  133.536  1818.80  165.000  160.994   6.5315  167.976   7.7350 -6.981796 10.12375 
1 1 1   46    4    9 o  110.082   7.3675  794.427  101.221  797.381  131.798  790.179  158.048  110.652   9.3793  109.512   11.364 1.140053 14.73508 
1 1 1   46    4   10 o  118.593   6.5406  923.880   97.925  998.330  135.505  842.497  141.675  123.842   8.6161  113.343   9.8428 10.49871 13.08120 
1 1 1   46    4   11 o  120.006   8.5815  941.124  130.781  941.124  130.781   0.0000   0.0000  120.006   8.5815  ?   ?       ?      ? 
1 1 1   46    4   12 o  194.234   6.4126  2440.31  158.174  2440.31  158.174   0.0000   0.0000  194.234   6.4126  ?   ?       ?      ? 
1 1 1   46    4   13 o  136.691   5.6329  1222.69   96.821  1199.14  127.790  1254.43  148.349  135.442   7.4296  137.939   8.4687 -2.497513 11.26583 
1 1 1   46    4   14 o   76.041   9.7224  417.179   91.077  435.667  123.318  394.993  135.090   79.186   12.263   72.895   15.090 6.291443 19.44470 
1 1 1   46    4   15 o   40.772   11.616   93.808   93.151  117.945  127.201   65.893  136.794   42.541   16.490   39.003   16.364 3.537766 23.23151 
1 1 1   46    6    0 o  267.231   6.5545  4566.02  222.436   0.0000   0.0000  4566.02  222.436  ?   ?   267.231   6.5545      ?      ? 
1 1 1   46    6    1 o  212.401   4.6237  2842.14  122.876  2650.48  158.557  3130.33  194.422  203.662   6.1305  221.139   6.9231 -17.47701 9.247309 
1 1 1   46    6    2 o   63.423   12.432  282.022  104.027  315.497  135.961  234.754  161.561   67.663   16.063   59.183   18.979 8.480141 24.86421 
1 1 1   46    6    3 o  146.305   5.8713  1361.04  108.270  1253.19  142.848  1506.64  165.976  139.628   8.0561  152.981   8.5434 -13.35374 11.74268 
1 1 1   46    6    4 o  110.453   7.5306  822.977  100.957  936.458  131.398  659.450  157.733  120.545   8.5835  100.362   12.376 20.18235 15.06117 
1 1 1   46    6    5 o  131.542   5.8667  1117.20   97.565  1134.64  132.513  1096.56  144.181  132.767   7.8594  130.317   8.7122 2.449310 11.73339 
1 1 1   46    6    6 f   51.274   11.871  177.063   89.068  199.522  112.744  139.775  145.274   53.777   15.597   48.770   17.899 5.007492 23.74172 
1 1 1   46    6    7 o  128.535   9.8082  998.940  125.433  938.800  137.829  1288.88  302.629  120.242   9.0262  136.828   17.416 -16.58634 19.61636 
1 1 1   46    6    8 o  116.729   7.0979  908.538  102.102  971.765  132.538  816.244  160.132  122.313   8.5328  111.145   11.345 11.16832 14.19580 
1 1 1   46    6    9 o   25.374   8.8460 -263.2302   95.415 -292.4335  121.672 -216.5885  153.767   22.028   10.969   28.721   13.881 -6.693136 17.69200 
1 1 1   46    6   10 o   64.905   11.669  318.818  102.738  441.345  139.201  172.219  152.262   79.070   14.393   50.741   18.370 28.32839 23.33709 
1 1 1   46    6   11 o   43.212   13.006   4.4718  123.900  180.900  208.939 -91.2158  153.873   53.304   20.997   33.119   15.354 20.18529 26.01161 
1 1 1   46    6   12 o   46.924   13.077  127.412  117.364   62.575  168.471  188.549  163.592   42.417   17.997   51.430   18.976 -9.012852 26.15313 
1 1 1   46    6   13 o   94.423   12.826  758.872  139.019  901.559  172.501  494.488  234.810  114.102   11.905   74.745   22.722 39.35619 25.65204 
1 1 1   46    6   14 o  157.757   8.0106  1784.89  153.471  2024.65  200.933  1449.18  237.768  173.296   9.1303  142.219   13.165 31.07735 16.02120 
1 1 1   46    8    0 o   57.895   12.846  230.652  106.120  264.980  137.945  180.883  166.099   61.741   17.037   54.050   19.231 7.691303 25.69277 
1 1 1   46    8    1 o  144.339   5.9375  1333.50  107.738  1277.58  141.406  1410.88  166.340  140.884   7.9037  147.794   8.8626 -6.910126 11.87493 
1 1 1   46    8    2 o  170.582   5.4969  1819.96  116.949  1603.07  149.175  2165.85  188.384  157.874   7.4406  183.290   8.0934 -25.41646 10.99387 
1 1 1   46    8    3 o  193.413   4.9694  2448.88  119.218  2666.37  157.363  2155.88  182.649  203.978   6.0749  182.848   7.8659 21.12988 9.938705 
1 1 1   46    8    4 o  153.742   6.5612  1532.90  127.957  1608.98  186.378  1465.06  175.987  157.324   9.3287  150.161   9.2288 7.163605 13.12236 
1 1 1   46    8    5 o  114.180   8.5515  842.336  121.448  973.388  197.117  762.149  154.189  120.848   12.844  107.513   11.293 13.33473 17.10296 
1 1 1   46    8    6 o  118.783   14.222  1158.79  165.969  1281.93  191.107  780.883  334.779  139.391   10.796   98.175   26.316 41.21596 28.44436 
1 1 1   46    8    7 o   70.575   14.011  397.683  144.224  539.461  183.595  169.193  233.072   86.252   17.362   54.898   21.996 31.35360 28.02280 
1 1 1   46    8    8 o  126.661   12.784  1303.38  172.375  702.478  272.849  1702.52  222.372   93.591   23.098  159.732   10.962 -66.14170 25.56704 
1 1 1   46    8    9 o   38.273   12.607 -127.6450  151.868 -252.8293  236.501 -39.8041  198.110   36.375   17.489   40.170   18.163 -3.795090 25.21447 
1 1 1   46    8   10 o   50.680   14.522  147.569  141.184  117.070  177.733  199.725  232.422   46.729   19.033   54.631   21.938 -7.902241 29.04378 
1 1 1   46    8   11 o  136.535   9.2150  1369.23  149.784  1628.64  196.316  1007.85  231.711  155.495   9.9417  117.575   15.519 37.91993 18.42997 
1 1 1   46    8   12 o   64.554   15.152  352.857  139.408  317.915  171.249  421.507  240.038   61.635   19.516   67.472   23.183 -5.836964 30.30425 
1 1 1   46    8   13 o   60.035   15.230  309.991  133.803  292.395  151.762  371.418  283.553   59.012   18.326   61.059   24.330 -2.046341 30.45985 
1 1 1   46   10    0 o   64.808   18.386  229.099  177.580  216.282  191.456  308.028  475.104   57.171   20.614   72.444   30.451 -15.27255 36.77242 
1 1 1   46   10    1 o   64.014   18.267  232.404  188.926  225.572  207.479  265.564  457.073   58.309   21.392   69.719   29.615 -11.40958 36.53378 
1 1 1   46   10    2 o   44.510   14.542 -64.8166  161.762 -36.4303  181.354 -175.3116  357.804   39.503   17.658   49.517   23.109 -10.01463 29.08370 
1 1 1   46   10    3 o   46.359   14.438   21.793  152.818   31.781  180.812  -3.1823  285.916   42.922   18.439   49.795   22.222 -6.873100 28.87576 
1 1 1   46   10    4 o   64.802   11.152  243.289  143.408  643.075  186.314 -337.8859  224.639   96.228   15.246   33.376   16.279 62.85196 22.30349 
1 1 1   46   10    5 o  204.035   7.3678  2748.59  190.220  2506.57  256.702  3043.33  283.281  194.153   10.411  213.918   10.428 -19.76500 14.73554 
1 1 1   46   10    6 o   31.500   10.945 -357.9001  151.374 -328.7717  204.198 -393.4348  225.538   31.146   15.261   31.853   15.693 -0.7068138 21.88970 
1 1 1   46   10    7 o   73.898   11.147  435.191  144.899  843.888  187.236 -175.0370  228.789  110.198   13.379   37.599   17.832 72.59929 22.29335 
1 1 1   46   10    8 o   51.470   14.610  174.459  145.921  200.024  191.789  139.318  224.860   52.780   20.307   50.161   21.010 2.619602 29.21945 
1 1 1   46   10    9 o  132.830   9.3616  1355.68  140.412  1669.40  179.857  866.066  224.687  158.032   8.9620  107.628   16.439 50.40346 18.72314 
1 1 1   46   10   10 o   99.381   12.329  858.319  135.728  1054.92  169.827  510.712  225.816  123.683   10.812   75.078   22.160 48.60462 24.65731 
1 1 1   46   12    0 o   30.617   10.858 -456.8907  155.609 -372.6290  180.169 -704.2994  308.726   27.469   13.622   33.766   16.913 -6.296818 21.71667 
1 1 1   46   12    1 o   31.305   11.147 -494.1661  157.979 -522.9199  187.032 -422.5745  295.121   25.281   12.730   37.329   18.302 -12.04818 22.29421 
1 1 1   46   12    2 o   36.421   12.094 -171.1214  151.059  -4.0705  178.875 -586.4865  282.058   39.710   17.659   33.133   16.531 6.576309 24.18877 
1 1 1   46   12    3 o   38.708   12.773 -98.7479  151.383 -46.6489  187.263 -197.0063  257.172   38.259   17.440   39.158   18.667 -0.8997688 25.54586 
1 1 1   46   12    4 o   56.779   14.775  254.276  150.649  345.630  187.092   85.832  254.051   64.783   20.386   48.776   21.393 16.00730 29.55038 
1 1 1   46   12    5 o   45.693   14.093   75.680  152.684   90.570  197.689   53.667  240.368   45.336   19.372   46.049   20.475 -0.7131462 28.18688 
1 1 1   46   12    6 o   57.295   13.520  241.227  137.957  461.961  191.537   3.2642  198.872   74.049   19.929   40.541   18.277 33.50813 27.04076 
1 1 1   46   12    7 o   74.516   14.260  489.787  146.804  658.128  205.987  316.026  209.277   89.632   18.701   59.400   21.532 30.23231 28.51929 
1 1 1   46   14    0 o   34.145   15.384 -15.7670  140.636 -15.7670  140.636   0.0000   0.0000   34.145   15.384  ?   ?       ?      ? 
1 1 1   46   14    1 f   49.490   17.929  192.268  145.071  192.268  145.071   0.0000   0.0000   49.490   17.929  ?   ?       ?      ? 
1 1 1   46   14    2 o   73.878   22.113  511.399  223.651  511.399  223.651   0.0000   0.0000   73.878   22.113  ?   ?       ?      ? 
1 1 1   47    1    0 o  161.446   5.2961  1670.10  108.376  1702.49  149.624  1634.34  157.190  163.140   7.2221  159.752   7.7482 3.387558 10.59212 
1 1 1   47    1    1 o  103.209   7.9293  686.108  103.709  735.161  152.736  644.144  141.268  106.606   11.282   99.811   11.145 6.795029 15.85857 
1 1 1   47    1    2 o   81.814   9.4454  461.661   91.810  564.841  123.835  335.728  136.809   93.538   10.425   70.090   15.754 23.44816 18.89074 
1 1 1   47    1    3 o  169.445   5.0588  1839.74  108.721  1872.92  150.894  1803.91  156.783  171.076   6.9455  167.815   7.3569 3.261108 10.11751 
1 1 1   47    1    4 o   93.832   8.4087  573.806   99.544  494.137  139.215  657.153  142.392   87.018   12.598  100.646   11.141 -13.62881 16.81734 
1 1 1   47    1    5 o   48.720   12.053  138.790   95.172   73.695  135.611  201.967  133.598   42.569   16.869   54.871   17.220 -12.30223 24.10571 
1 1 1   47    1    6 o   75.488   10.373  386.629   97.119  448.304  137.076  324.464  137.619   82.580   13.071   68.395   16.110 14.18559 20.74565 
1 1 1   47    1    7 o  168.417   5.1836  1823.36  110.699  1958.37  158.039  1693.31  155.107  174.594   7.1278  162.241   7.5283 12.35365 10.36728 
1 1 1   47    1    8 o  148.326   5.6790  1426.54  106.378  1585.47  149.726  1264.54  151.166  156.857   7.5165  139.795   8.5150 17.06209 11.35794 
1 1 1   47    1    9 o   71.695   10.460  359.902   93.919  241.040  132.271  480.764  133.378   58.317   16.888   85.073   12.346 -26.75640 20.91976 
1 1 1   47    1   10 f  144.272   5.2645  1336.78   95.838  1568.21  142.002  1143.17  129.879  155.747   7.1795  132.797   7.7015 22.94942 10.52892 
1 1 1   47    1   11 o  ?   ?  -587.5170   84.258 -541.5931  113.266 -644.4179  126.078  ?   ?   ?   ?       ?      ? 
1 1 1   47    1   13 o   45.127   10.056   68.063   85.141 -122.9760  114.223  306.923  127.721   26.143   12.456   64.111   15.791 -37.96811 20.11264 
1 1 1   47    1   14 o  121.930   6.1711  991.463   95.415  1048.44  134.749  934.167  135.126  125.629   8.4462  118.232   8.9997 7.396759 12.34228 
1 1 1   47    1   15 o   34.712   10.824   7.5354   93.711   38.190  131.822 -23.7832  133.243   36.525   15.718   32.899   14.884 3.625546 21.64710 
1 1 1   47    3    0 o   83.229   10.395  465.903  106.296  530.368  147.698  396.638  153.098   90.272   12.884   76.185   16.316 14.08768 20.78952 
1 1 1   47    3    1 o  167.377   5.1394  1783.77  108.839  1685.29  146.469  1905.20  162.642  162.276   7.1075  172.478   7.4254 -10.20143 10.27877 
1 1 1   47    3    2 o   37.658   11.356 -24.0826   99.058 -105.4993  132.316   79.737  149.415   30.695   14.233   44.621   17.699 -13.92680 22.71154 
1 1 1   47    3    3 o  115.361   7.2506  844.300  105.140  708.434  138.777  1027.36  161.085  104.633   10.444  126.089   10.060 -21.45503 14.50115 
1 1 1   47    3    4 o  137.034   6.3048  1214.09  109.286  1267.69  150.289  1153.94  159.205  140.361   8.4314  133.707   9.3762 6.654572 12.60962 
1 1 1   47    3    5 o   82.684   9.7218  456.916   99.106  390.593  137.732  528.123  142.714   75.582   14.879   89.786   12.516 -14.20435 19.44368 
1 1 1   47    3    6 o  214.736   4.4189  2957.34  120.274  3024.57  166.236  2883.49  174.232  217.367   6.0222  212.105   6.4684 5.261871 8.837847 
1 1 1   47    3    7 o  134.389   6.0990  1172.64  103.479  1315.10  146.258  1029.85  146.424  142.748   8.0681  126.031   9.1487 16.71705 12.19808 
1 1 1   47    3    8 o  134.336   5.9684  1176.45  100.979  1239.77  136.814  1100.68  149.661  138.535   7.7767  130.138   9.0558 8.396561 11.93671 
1 1 1   47    3    9 o  256.882   3.9944  4241.71  129.806  4329.32  177.100  4140.01  190.813  259.884   5.3661  253.880   5.9184 6.004257 7.988898 
1 1 1   47    3   10 o  108.028   6.8488  773.656   92.487  931.375  131.390  618.755  130.211  119.405   8.6649   96.652   10.609 22.75377 13.69760 
1 1 1   47    3   12 o  100.785   7.3460  674.217   92.662  644.837  120.198  717.255  145.478   98.483   9.6107  103.088   11.113 -4.605019 14.69200 
1 1 1   47    3   13 o   40.581   10.890   42.510   91.023 -108.2038  125.052  212.331  132.743   28.239   13.330   52.923   17.225 -24.68316 21.78059 
1 1 1   47    3   14 o  137.059   5.6352  1251.04   97.371  1409.97  137.222  1089.87  138.189  146.275   7.3871  127.843   8.5118 18.43244 11.27033 
1 1 1   47    3   15 o   46.396   11.980  162.350   92.098  182.995  131.564  142.512  128.967   48.375   17.126   44.417   16.756 3.958107 23.95957 
1 1 1   47    5    0 o  125.564   7.1052  1010.86  112.599  866.319  152.771  1182.75  166.604  115.736   10.394  135.393   9.6898 -19.65680 14.21034 
1 1 1   47    5    1 o  178.060   5.2505  2025.54  118.265  1951.60  159.234  2116.50  176.618  174.505   7.1854  181.614   7.6579 -7.109192 10.50109 
1 1 1   47    5    2 o   60.231   12.408  250.597  100.076  261.855  130.300  234.402  156.274   61.571   16.379   58.890   18.643 2.680717 24.81570 
1 1 1   47    5    3 f  145.306   5.7469  1343.12  105.446  1194.87  140.797  1532.48  159.125  136.276   8.1357  154.336   8.1188 -18.06029 11.49372 
1 1 1   47    5    4 o  135.326   6.0536  1179.54  103.230  1166.51  137.382  1196.45  156.446  134.595   8.0375  136.057   9.0545 -1.462021 12.10726 
1 1 1   47    5    5 o  164.898   5.1780  1730.78  107.091  1640.98  139.385  1860.16  167.310  159.858   6.8660  169.938   7.7527 -10.08008 10.35596 
1 1 1   47    5    6 o  139.103   6.0433  1255.11  105.773  1272.52  141.002  1232.70  159.957  140.399   7.9083  137.806   9.1402 2.592972 12.08654 
1 1 1   47    5    7 o   63.156   11.643  296.596  101.632  410.854  133.887  141.247  156.118   77.117   14.194   49.196   18.461 27.92157 23.28668 
1 1 1   47    5    8 o  168.823   5.2589  1893.78  109.002  2099.88  142.514  1603.24  169.203  180.667   6.2116  156.980   8.4876 23.68729 10.51777 
1 1 1   47    5    9 o  203.174   6.1609  2660.11  158.960  2660.11  158.960   0.0000   0.0000  203.174   6.1609  ?   ?       ?      ? 
1 1 1   47    5   10 o  304.134   4.2508  5937.78  163.656  5610.90  220.947  6335.11  243.594  294.996   5.8979  313.272   6.1231 -18.27499 8.501563 
1 1 1   47    5   11 o  174.354   5.3370  2018.10  114.401  2132.57  147.305  1844.12  181.599  181.380   6.3952  167.328   8.5461 14.05188 10.67399 
1 1 1   47    5   12 o  100.394   8.7924  703.041  110.188  666.599  168.814  730.091  145.443   97.234   13.671  103.554   11.060 -6.319763 17.58490 
1 1 1   47    5   13 o  120.441   9.9116  1062.46  143.506  1117.92  180.757  967.894  236.020  127.369   11.175  113.512   16.373 13.85674 19.82311 
1 1 1   47    5   14 o   55.438   14.656  264.778  137.894  276.470  173.192  244.533  227.907   56.802   19.682   54.074   21.721 2.728165 29.31191 
1 1 1   47    7    0 o  103.548   8.4163  707.989  107.858  733.773  139.488  669.648  170.095  106.290   10.334  100.806   13.287 5.484451 16.83258 
1 1 1   47    7    1 o  157.710   5.6421  1594.58  111.875  1551.16  147.281  1653.81  172.012  155.323   7.4668  160.098   8.4605 -4.774567 11.28420 
1 1 1   47    7    2 o  111.833   7.3710  811.729  103.304  795.668  135.014  834.409  160.444  110.720   9.6023  112.947   11.186 -2.226631 14.74208 
1 1 1   47    7    3 o  118.870   6.8509  941.091  100.794  1092.01  136.463  759.916  149.517  129.996   8.2662  107.744   10.927 22.25180 13.70184 
1 1 1   47    7    4 o  107.160   9.4836  776.559  124.767  719.602  199.174  813.343  160.063  103.142   15.206  111.178   11.337 -8.036446 18.96715 
1 1 1   47    7    5 o   83.370   11.175  490.882  111.526  449.828  180.744  516.123  141.722   78.758   18.403   87.982   12.684 -9.223396 22.35076 
1 1 1   47    7    6 o  130.029   7.7702  1129.30  125.545  1058.69  195.027  1179.26  164.057  125.918   12.196  134.139   9.6308 -8.220650 15.54030 
1 1 1   47    7    7 f   97.605   12.192  734.240  152.963  1355.80  220.922  161.865  212.000  142.036   12.248   53.173   21.085 88.86342 24.38394 
1 1 1   47    7    8 o  252.761   7.0828  4373.61  215.676  2879.69  307.548  5819.25  302.538  206.890   11.706  298.632   7.9775 -91.74185 14.16554 
1 1 1   47    7    9 o  125.018   10.164  1125.45  152.616  1475.56  212.846  754.984  218.947  147.871   11.335  102.165   16.876 45.70586 20.32867 
1 1 1   47    7   10 o   42.580   13.133   33.152  136.005  103.107  166.745 -105.8897  235.080   44.929   18.383   40.230   18.761 4.698719 26.26581 
1 1 1   47    7   11 o   45.407   13.864   81.987  143.912  120.381  175.476   3.1093  251.515   46.020   18.847   44.793   20.338 1.227264 27.72833 
1 1 1   47    7   12 o   66.898   14.372  411.336  146.043  518.559  182.669  221.383  243.132   80.055   18.359   53.741   22.117 26.31394 28.74407 
1 1 1   47    9    0 o   68.632   17.281  331.146  171.957  335.547  194.902  315.687  365.298   67.643   20.729   69.621   27.655 -1.977501 34.56152 
1 1 1   47    9    1 o   45.384   15.121 -129.1833  157.283 -150.8086  171.329 -13.2826  396.636   33.457   15.735   57.310   25.826 -23.85317 30.24212 
1 1 1   47    9    2 o  128.760   14.359  1235.36  169.130  1253.61  187.193  1154.27  394.640  137.851   10.693  119.669   26.652 18.18247 28.71704 
1 1 1   47    9    3 o   56.038   14.231  216.263  139.884  308.163  164.407 -24.7295  266.234   64.548   18.868   47.528   21.310 17.02040 28.46224 
1 1 1   47    9    4 o   39.290   12.079 -81.9227  133.178  128.093  167.495 -442.9297  219.601   48.056   18.840   30.524   15.120 17.53146 24.15714 
1 1 1   47    9    5 o  203.799   6.7805  2702.68  173.746  3297.94  262.126  2236.20  232.044  223.822   9.2221  183.777   9.9427 40.04597 13.56109 
1 1 1   47    9    6 o   25.552   9.1688 -699.3672  151.114 -718.1704  204.317 -676.6612  224.523   24.284   12.346   26.819   13.559 -2.535360 18.33766 
1 1 1   47    9    7 o  126.274   9.4278  1157.62  142.239  1423.01  190.010  819.333  214.527  145.734   10.267  106.813   15.815 38.92096 18.85560 
1 1 1   47    9    8 o   38.467   12.521 -53.6845  131.807 -57.7565  159.788 -45.0140  233.162   34.845   15.969   42.089   19.290 -7.244637 25.04205 
1 1 1   47    9    9 o  122.877   9.0628  1094.87  134.960  1238.78  176.240  890.816  209.856  135.096   10.273  110.658   14.934 24.43897 18.12564 
1 1 1   47    9   10 f   57.818   14.108  283.441  126.219  302.308  168.582  259.373  190.406   59.928   19.405   55.708   20.485 4.220005 28.21677 
1 1 1   47   11    0 o  216.633   6.5660  3107.82  179.605  3240.15  244.962  2953.97  264.120  222.149   8.6831  211.117   9.8515 11.03224 13.13193 
1 1 1   47   11    1 o   24.540   12.381 -646.0154  137.547 -536.1124  181.732 -793.4065  210.456   24.540   12.381  ?   ?       ?      ? 
1 1 1   47   11    2 o   32.103   10.925 -219.6170  130.979 -262.8426  180.538 -171.5834  190.314   30.159   14.684   34.048   16.182 -3.889391 21.85097 
1 1 1   47   11    3 o   36.350   11.794 -63.4872  122.803 -49.4381  161.914 -82.5136  188.425   35.704   16.253   36.996   17.094 -1.291805 23.58733 
1 1 1   47   11    4 o   61.301   11.726  205.668  134.788  611.787  190.800 -198.9165  190.439   89.769   17.365   32.834   15.762 56.93498 23.45156 
1 1 1   47   11    5 o   33.482   11.271 -156.7757  131.134 -137.6436  175.587 -180.9057  197.192   33.097   15.675   33.867   16.200 -0.7702866 22.54190 
1 1 1   47   11    6 o   62.637   15.113  338.570  144.194  354.345  207.601  323.867  200.429   63.799   21.565   61.476   21.181 2.323082 30.22680 
1 1 1   47   11    7 o   45.993   13.480   97.376  139.019  239.898  192.565 -57.7609  200.906   54.097   20.458   37.890   17.558 16.20693 26.95976 
1 1 1   47   11    8 o   63.527   12.546  309.906  144.648  656.412  197.899 -87.5436  211.948   89.825   17.976   37.229   17.506 52.59527 25.09223 
1 1 1   47   13    0 o   51.521   20.154  198.879  191.344  198.879  191.344   0.0000   0.0000   51.521   20.154  ?   ?       ?      ? 
1 1 1   47   13    1 o   43.190   18.629   76.406  186.016   76.406  186.016   0.0000   0.0000   43.190   18.629  ?   ?       ?      ? 
1 1 1   47   13    2 o   43.324   13.300   68.739  137.368   3.9718  191.536  137.337  197.119   39.626   17.894   47.022   19.681 -7.395859 26.59949 
1 1 1   47   13    3 o   82.530   13.356  574.908  143.411  751.670  203.592  400.823  202.045   98.820   16.223   66.240   21.222 32.58029 26.71298 
1 1 1   48    0    0 o   36.877   16.474   50.009  232.963   50.009  232.963   50.009  232.963   36.877   23.298   36.877   23.298 -0.000000 0.000000 
1 1 1   48    0    1 o  161.947   5.2053  1683.15  150.683  1683.15  150.683  1683.15  150.683  161.947   7.3614  161.947   7.3614 -0.000000 0.000000 
1 1 1   48    0    2 o  141.470   5.7068  1290.45  143.914  1290.45  143.914  1290.45  143.914  141.470   8.0706  141.470   8.0706 -0.000000 0.000000 
1 1 1   48    0    3 o   36.148   14.076  120.955  132.443  120.955  132.443  120.955  132.443   36.148   19.907   36.148   19.907 -0.000000 0.000000 
1 1 1   48    0    4 o   25.014   11.749 -33.2274  140.623 -33.2274  140.623 -33.2274  140.623   25.014   16.616   25.014   16.616 -0.000000 0.000000 
1 1 1   48    0    5 o   47.213   15.275  214.630  141.213  214.630  141.213  214.630  141.213   47.213   21.603   47.213   21.603 -0.000000 0.000000 
1 1 1   48    0    6 o   21.053   10.323 -108.2375  135.491 -108.2375  135.491 -108.2375  135.491   21.053   14.599   21.053   14.599 -0.000000 0.000000 
1 1 1   48    0    7 o   28.961   12.866   36.070  139.904   36.070  139.904   36.070  139.904   28.961   18.195   28.961   18.195 -0.000000 0.000000 
1 1 1   48    0    8 o   57.469   13.963  283.109  129.594  283.109  129.594  283.109  129.594   57.469   19.746   57.469   19.746 -0.000000 0.000000 
1 1 1   48    0    9 o  183.173   4.5161  2154.11  148.155  2154.11  148.155  2154.11  148.155  183.173   6.3867  183.173   6.3867 -0.000000 0.000000 
1 1 1   48    0   10 o  105.095   7.0663  734.363  130.603  734.363  130.603  734.363  130.603  105.095   9.9933  105.095   9.9933 -0.000000 0.000000 
1 1 1   48    0   12 o   17.828   8.9699 -159.1418  124.576 -159.1418  124.576 -159.1418  124.576   17.828   12.685   17.828   12.685 -0.000000 0.000000 
1 1 1   48    0   13 o  123.979   5.8910  1010.72  129.810  1010.72  129.810  1010.72  129.810  123.979   8.3312  123.979   8.3312 -0.000000 0.000000 
1 1 1   48    0   14 o   96.028   8.1622  637.656  135.382  637.656  135.382  637.656  135.382   96.028   11.543   96.028   11.543 -0.000000 0.000000 
1 1 1   48    2    0 o   95.961   8.3435  592.803  100.521  479.097  135.845  730.409  149.442   85.755   12.474  106.168   11.084 -20.41276 16.68709 
1 1 1   48    2    1 o   49.119   12.697  137.183  103.218  148.208  140.124  124.103  152.620   49.759   17.668   48.480   18.241 1.279583 25.39458 
1 1 1   48    2    2 o   36.633   11.329 -22.2886  100.849   10.846  139.576 -58.4820  145.877   38.319   16.324   34.947   15.714 3.372162 22.65771 
1 1 1   48    2    3 o  109.311   7.5517  791.925  102.517  913.945  139.366  648.050  151.333  118.985   9.2233   99.637   11.960 19.34798 15.10343 
1 1 1   48    2    4 o   38.771   11.535   25.653   95.698   32.456  125.571   16.228  147.807   38.006   15.791   39.536   16.819 -1.529953 23.06989 
1 1 1   48    2    5 o   94.981   8.1190  591.531   97.736  618.446  136.319  563.062  140.201   97.318   11.030   92.644   11.917 4.673454 16.23803 
1 1 1   48    2    6 o   84.012   9.9750  483.532  100.990  337.609  140.348  640.216  145.431   69.322   16.229   98.703   11.602 -29.38172 19.94991 
1 1 1   48    2    7 o  285.394   4.0652  5215.36  147.220  5064.93  203.357  5381.03  213.407  281.100   5.6967  289.689   5.8010 -8.588593 8.130381 
1 1 1   48    2    8 o   31.443   10.050 -82.0780   90.527 -189.0746  130.134   18.252  126.015   26.443   12.778   36.443   15.517 -10.00082 20.10098 
1 1 1   48    2    9 o   76.140   9.1551  396.403   86.727  399.594  121.547  393.094  123.786   77.084   12.417   75.195   13.457 1.889244 18.31022 
1 1 1   48    2   11 o   89.052   8.1633  536.169   92.220  504.825  127.581  570.464  133.455   86.283   11.643   91.820   11.445 -5.536766 16.32667 
1 1 1   48    2   12 o   28.830   9.3668 -107.8241   85.596   20.730  116.271 -259.9283  126.473   34.435   14.789   23.225   11.499 11.21045 18.73358 
1 1 1   48    2   13 o   36.400   10.927   41.104   87.692   37.718  119.556   45.048  129.013   35.668   15.149   37.132   15.752 -1.464676 21.85405 
1 1 1   48    2   14 o  101.913   7.4748  718.060   96.425  736.771  132.495  696.991  140.596  103.712   10.060  100.115   11.059 3.597458 14.94961 
1 1 1   48    4    0 o   88.922   9.2450  511.151  103.569  464.409  136.367  574.864  159.209   84.251   12.745   93.592   13.395 -9.340973 18.49000 
1 1 1   48    4    1 o  135.909   6.6540  1201.07  113.947  1280.64  155.335  1108.38  167.660  140.988   8.6758  130.831   10.091 10.15707 13.30796 
1 1 1   48    4    2 o   36.848   11.307 -48.3456  102.568 -146.2573  138.197   71.735  153.044   29.617   13.991   44.080   17.767 -14.46289 22.61386 
1 1 1   48    4    3 o  152.616   5.7311  1505.32  110.564  1562.71  151.170  1439.32  162.126  155.876   7.6367  149.356   8.5478 6.520645 11.46228 
1 1 1   48    4    4 o  127.331   8.8379  1048.85  142.910  1048.85  142.910   0.0000   0.0000  127.331   8.8379  ?   ?       ?      ? 
1 1 1   48    4    5 o  120.935   6.8251  940.980  104.225  845.208  138.910  1064.34  157.656  113.990   9.5960  127.880   9.7080 -13.89045 13.65021 
1 1 1   48    4    6 o   57.960   11.706  245.838  100.416  351.171  128.891   83.172  160.172   70.969   14.781   44.951   18.155 26.01842 23.41145 
1 1 1   48    4    7 o  144.200   5.8820  1355.36  107.244  1414.32  147.160  1288.58  156.613  147.736   7.8438  140.664   8.7673 7.072159 11.76396 
1 1 1   48    4    8 o  187.217   4.6110  2259.54  109.493  2420.02  157.182  2108.25  152.611  193.729   6.3890  180.706   6.6502 13.02382 9.221950 
1 1 1   48    4    9 o  242.022   6.1773  3780.28  189.859   0.0000   0.0000  3780.28  189.859  ?   ?   242.022   6.1773      ?      ? 
1 1 1   48    4   10 o  110.089   6.8264  802.751   94.820  789.368  126.705  819.785  142.950  109.301   9.1284  110.876   10.152 -1.574615 13.65281 
1 1 1   48    4   11 o   42.818   11.635  110.889   88.793  107.724  121.218  114.553  130.432   42.212   16.167   43.425   16.736 -1.213623 23.26921 
1 1 1   48    4   12 o   39.857   12.055   16.172  108.453  150.139  176.166 -65.5897  137.625   48.037   19.166   31.677   14.627 16.36007 24.10988 
1 1 1   48    4   13 o  130.932   7.4606  1191.15  119.006  1124.52  193.860  1231.44  150.755  126.411   12.076  135.454   8.7640 -9.042328 14.92111 
1 1 1   48    6    0 o  126.691   7.0382  1040.72  112.227  1032.65  148.903  1051.33  170.759  126.303   9.2835  127.078   10.581 -0.7752991 14.07640 
1 1 1   48    6    1 o   44.098   12.213   90.128   99.221  104.392  130.930   70.886  152.070   44.502   16.860   43.693   17.675 0.8089256 24.42676 
1 1 1   48    6    2 o   90.049   8.8931  535.999  100.195  538.309  131.269  532.774  155.086   90.589   11.411   89.509   13.644 1.080414 17.78614 
1 1 1   48    6    3 o  106.831   7.4105  745.093  100.260  672.014  138.834  824.745  144.942  101.272   10.795  112.391   10.155 -11.11981 14.82100 
1 1 1   48    6    4 o   46.601   13.141  100.466  114.488   91.557  188.154  105.704  144.269   47.869   19.550   45.334   17.565 2.534996 26.28134 
1 1 1   48    6    5 o  169.497   6.2450  1888.06  129.682  1802.78  210.515  1940.22  164.629  165.785   9.9991  173.210   7.4844 -7.424759 12.48991 
1 1 1   48    6    6 o   50.222   13.004  112.910  114.670  294.785  183.875  -2.8418  146.689   63.091   20.249   37.353   16.322 25.73791 26.00847 
1 1 1   48    6    7 o   41.593   12.432 -94.8122  125.947  210.932  200.293 -294.7671  161.977   55.839   20.918   27.347   13.438 28.49183 24.86304 
1 1 1   48    6    8 o  216.863   6.7230  3154.30  182.123  2709.86  268.773  3531.61  247.644  201.589   10.499  232.137   8.4005 -30.54897 13.44599 
1 1 1   48    6    9 f   62.030   13.949  291.090  136.343  452.251  190.259  120.953  195.485   75.814   19.613   48.247   19.841 27.56635 27.89872 
1 1 1   48    6   10 o   48.824   12.854  118.565  137.486  310.120  165.992 -299.9828  245.365   62.351   19.134   35.296   17.170 27.05510 25.70848 
1 1 1   48    6   11 o   65.270   15.111  344.631  140.517  267.904  175.167  483.130  235.344   57.287   19.798   73.252   22.834 -15.96503 30.22116 
1 1 1   48    6   12 o   46.781   14.208  106.882  145.648   57.347  181.132  197.505  244.994   41.564   18.151   51.999   21.862 -10.43431 28.41506 
1 1 1   48    8    0 o   54.047   16.808   0.5346  174.467 -56.0005  193.078  252.095  407.283   40.075   18.043   68.020   28.364 -27.94521 33.61672 
1 1 1   48    8    1 o  101.578   14.678  667.489  171.812  499.616  203.228  1088.07  321.676   82.268   19.711  120.889   21.753 -38.62172 29.35522 
1 1 1   48    8    2 o   39.944   13.378 -191.2401  172.589 -85.0590  200.919 -490.1372  337.100   39.344   17.985   40.544   19.811 -1.199776 26.75701 
1 1 1   48    8    3 o   46.233   13.815   31.614  151.228  168.242  192.527 -188.4816  244.359   52.772   20.334   39.694   18.706 13.07829 27.62942 
1 1 1   48    8    4 o   43.784   13.264   16.097  135.592  131.048  198.297 -84.8481  185.824   50.180   20.224   37.387   17.166 12.79273 26.52718 
1 1 1   48    8    5 o  287.542   5.8955  5405.66  215.092  5322.33  297.158  5497.37  311.737  285.354   8.2002  289.729   8.4726 -4.375000 11.79104 
1 1 1   48    8    6 o   36.280   12.049 -140.2194  141.439 -109.5519  192.871 -175.9008  208.041   36.690   17.071   35.870   17.010 0.8196259 24.09873 
1 1 1   48    8    7 o   87.873   13.342  649.917  144.870  801.297  182.778  394.125  237.594  107.325   13.411   68.422   23.070 38.90289 26.68458 
1 1 1   48    8    8 o   65.321   13.989  257.551  132.177   88.133  158.846  638.902  238.320   43.077   17.817   87.566   21.572 -44.48896 27.97882 
1 1 1   48    8    9 o  111.104   12.542  1003.93  150.347  1102.01  181.850  792.076  267.260  126.472   11.322   95.735   22.383 30.73698 25.08415 
1 1 1   48    8   10 o   75.947   13.044  548.296  151.663  764.935  187.809  142.192  257.138  102.072   14.489   49.823   21.695 52.24954 26.08838 
1 1 1   48   10    0 o  210.484   6.8577  2912.37  182.765  3197.98  270.657  2672.97  247.792  219.920   9.6912  201.047   9.7053 18.87242 13.71542 
1 1 1   48   10    1 o   84.859   14.009  558.279  146.446  572.820  189.566  536.756  230.633   87.857   17.604   81.861   21.797 5.995750 28.01833 
1 1 1   48   10    2 o   29.171   10.147 -362.5057  124.782 -532.6442  164.277 -130.4532  191.852   22.604   11.447   35.738   16.757 -13.13404 20.29376 
1 1 1   48   10    3 o   47.806   13.833  122.562  131.011  142.770  162.086   84.481  222.507   47.860   18.597   47.752   20.482 0.1087570 27.66538 
1 1 1   48   10    4 o   38.283   12.234 -48.8045  127.529 -124.7739  170.789   46.937  191.730   33.321   15.683   43.245   18.782 -9.923691 24.46878 
1 1 1   48   10    5 o   73.243   15.770  460.756  159.422  422.037  215.242  507.809  237.278   70.246   21.827   76.240   22.767 -5.993980 31.53947 
1 1 1   48   10    6 o   45.530   13.635   32.533  144.204 -130.8190  189.452  257.527  222.343   34.570   16.346   56.491   21.828 -21.92046 27.27010 
1 1 1   48   10    7 o   84.089   12.969  624.696  145.176  871.435  192.201  296.918  221.527  109.806   13.783   58.372   21.973 51.43407 25.93851 
1 1 1   48   10    8 o   90.733   13.356  684.064  146.396  701.738  184.795  654.279  239.895   96.727   15.044   84.740   22.073 11.98696 26.71194 
1 1 1   48   12    0 o   53.679   15.086  215.462  154.859  250.406  200.827  164.208  243.220   55.894   20.945   51.463   21.718 4.431129 30.17207 
1 1 1   48   12    1 o   47.054   14.058  108.156  142.421   50.540  184.273  193.631  224.445   41.947   18.313   52.162   21.333 -10.21453 28.11525 
1 1 1   48   12    2 o   49.332   13.828  168.754  132.374  238.865  183.108   91.997  191.590   54.209   20.061   44.456   19.036 9.753204 27.65502 
1 1 1   48   12    3 o   99.964   12.679  888.481  154.679  1364.83  211.260  338.043  227.095  139.212   11.950   60.717   22.365 78.49498 25.35733 
1 1 1   48   12    4 o   49.557   14.479  176.178  147.187  137.208  195.913  226.679  223.019   46.506   19.552   52.608   21.361 -6.101501 28.95813 
1 1 1   49    1    0 o  129.579   6.7164  1086.27  109.990  1220.40  156.884  956.608  154.249  137.576   8.9797  121.583   9.9902 15.99292 13.43271 
1 1 1   49    1    1 o   59.436   11.878  246.774   99.462  339.132  133.589  131.895  148.988   70.184   15.411   48.688   18.080 21.49587 23.75670 
1 1 1   49    1    2 o   72.686   10.675  348.980  104.844  101.950  140.787  656.555  157.095   45.302   17.406  100.069   12.362 -54.76676 21.34919 
1 1 1   49    1    3 o   68.599   11.666  330.855  100.639  293.336  145.939  364.875  138.968   64.617   17.398   72.580   15.546 -7.962769 23.33141 
1 1 1   49    1    4 o  124.348   6.3300  997.319   99.742  919.961  136.298  1086.51  146.352  119.163   9.0068  129.533   8.8969 -10.36945 12.66006 
1 1 1   49    1    5 o  154.321   5.4984  1539.90  107.418  1572.58  147.193  1502.66  157.117  156.189   7.4209  152.454   8.1153 3.735458 10.99677 
1 1 1   49    1    6 o   77.008   10.756  430.388  101.725  575.090  139.262  264.861  148.946   93.198   11.767   60.818   18.010 32.37962 21.51299 
1 1 1   49    1    7 o  101.296   8.2203  705.099  100.328  466.587  143.395  933.821  140.421   83.090   13.590  119.502   9.2530 -36.41151 16.44064 
1 1 1   49    1    8 o   30.576   10.079 -102.2622   95.766 -86.2263  137.928 -117.1884  133.070   31.620   14.616   29.531   13.882 2.088593 20.15735 
1 1 1   49    1    9 o  244.913   4.1766  3868.12  129.873  3843.52  185.266  3891.89  182.111  244.103   5.9765  245.724   5.8359 -1.620514 8.353213 
1 1 1   49    1   10 o   76.480   10.011  417.163   94.471  478.582  132.756  354.152  134.465   83.562   12.510   69.397   15.633 14.16470 20.02249 
1 1 1   49    1   11 o  133.227   5.7185  1172.14   96.076  1190.32  129.208  1149.65  143.687  134.696   7.5536  131.757   8.5875 2.939667 11.43691 
1 1 1   49    1   12 o   88.934   7.9510  539.389   89.327  491.611  119.143  600.722  134.990   84.574   11.093   93.294   11.394 -8.720551 15.90207 
1 1 1   49    1   13 o   33.336   10.384 -22.4370   87.489 -99.2970  115.184   82.378  134.510   26.824   12.702   39.848   16.431 -13.02319 20.76817 
1 1 1   49    3    0 o  124.542   7.0555  1015.27  110.203  849.554  157.809  1173.01  153.963  114.286   10.873  134.799   8.9940 -20.51250 14.11100 
1 1 1   49    3    1 o  135.249   6.4446  1192.42  109.583  1356.27  153.054  1020.09  156.968  145.066   8.3081  125.432   9.8543 19.63401 12.88919 
1 1 1   49    3    2 o   63.948   12.039  286.631   99.612  305.807  141.966  268.034  139.804   66.020   16.870   61.875   17.181 4.144817 24.07893 
1 1 1   49    3    3 o   88.538   9.8610  527.497  107.556  448.680  148.771  613.804  155.679   80.688   15.073   96.388   12.718 -15.70063 19.72192 
1 1 1   49    3    4 o   52.533   12.556  177.189  105.437  259.602  143.370   80.116  155.600   60.589   17.593   44.478   17.919 16.11099 25.11183 
1 1 1   49    3    5 o  166.631   5.2476  1792.30  111.043  1782.33  156.570  1802.39  157.512  166.165   7.4198  167.097   7.4228 -0.9313202 10.49528 
1 1 1   49    3    6 o  197.752   4.5673  2518.67  114.503  2530.23  157.630  2505.76  166.607  198.316   6.2590  197.188   6.6533 1.128479 9.134585 
1 1 1   49    3    7 o  105.240   6.9239  731.721   91.986  816.221  129.645  646.058  130.536  111.619   9.1462   98.861   10.397 12.75826 13.84779 
1 1 1   49    3    8 o  114.416   9.4510  862.931  137.323   0.0000   0.0000  862.931  137.323  ?   ?   114.416   9.4510      ?      ? 
1 1 1   49    3    9 o  ?   ?  -606.5531   88.419 -675.6503  128.518 -544.4531  121.837  ?   ?   ?   ?       ?      ? 
1 1 1   49    3   10 o   42.017   11.407   80.141   89.989  -1.8083  119.772  186.367  136.363   33.428   14.674   50.606   17.469 -17.17778 22.81437 
1 1 1   49    3   11 o  123.099   6.0220  1011.28   92.261  1036.33  120.224  975.409  143.896  125.540   7.5410  120.658   9.3911 4.882248 12.04408 
1 1 1   49    3   12 o  146.638   6.7199  1463.45  120.185  1413.07  197.004  1493.32  151.682  143.287   10.827  149.989   7.9634 -6.702301 13.43989 
1 1 1   49    3   13 o   36.558   11.837 -27.2181  123.430 -10.0631  181.226 -42.0611  168.572   37.822   17.208   35.294   16.259 2.527313 23.67407 
1 1 1   49    5    0 o   38.625   11.622   14.517  100.117  -9.9105  138.910   40.923  144.425   36.584   15.938   40.667   16.919 -4.082573 23.24329 
1 1 1   49    5    1 o   54.621   12.714  191.705  107.479   98.255  151.133  287.323  152.877   45.588   17.889   63.654   18.070 -18.06588 25.42757 
1 1 1   49    5    2 o  153.579   5.6671  1527.81  110.183  1399.44  156.500  1653.99  155.154  147.042   8.3810  160.117   7.6304 -13.07478 11.33422 
1 1 1   49    5    3 o  136.488   6.2189  1217.98  106.531  1270.25  142.241  1151.21  160.770  140.112   7.9941  132.864   9.5284 7.247955 12.43774 
1 1 1   49    5    4 o   36.815   11.525 -23.4805  106.238 -24.8274  157.144 -22.3467  144.180   37.524   16.625   36.107   15.965 1.416988 23.04941 
1 1 1   49    5    5 o   29.928   10.101 -209.6497  111.747 -370.0031  168.189 -82.9180  149.521   26.418   13.111   33.438   15.370 -7.020397 20.20246 
1 1 1   49    5    6 o  133.881   12.977  1214.69  220.631  1214.69  220.631   0.0000   0.0000  133.881   12.977  ?   ?       ?      ? 
1 1 1   49    5    7 o  238.928   9.9944  3784.25  303.250  3784.25  303.250   0.0000   0.0000  238.928   9.9944  ?   ?       ?      ? 
1 1 1   49    5    8 o   37.077   12.141 -138.2516  139.835   15.727  201.294 -281.8613  194.398   42.933   18.929   31.221   15.209 11.71212 24.28232 
1 1 1   49    5    9 o  152.335   8.2661  1601.97  150.700  1641.55  186.593  1527.71  255.564  157.005   9.3584  147.665   13.628 9.340500 16.53220 
1 1 1   49    5   10 o   58.890   15.380  285.553  150.492  299.155  187.557  260.967  252.162   60.254   20.496   57.525   22.937 2.729076 30.76039 
1 1 1   49    5   11 o  190.771   7.2669  2480.84  174.188  2452.31  230.042  2519.18  266.678  190.450   9.5115  191.092   10.989 -0.6420898 14.53376 
1 1 1   49    5   12 o   48.452   19.194  176.673  175.538  176.673  175.538   0.0000   0.0000   48.452   19.194  ?   ?       ?      ? 
1 1 1   49    7    0 o  115.059   15.129  869.808  179.953  789.256  201.694  1184.19  398.459  107.847   14.727  122.271   26.432 -14.42348 30.25758 
1 1 1   49    7    1 o   68.385   16.665  312.450  154.175  273.860  175.401  443.573  323.319   61.511   19.781   75.259   26.826 -13.74854 33.33001 
1 1 1   49    7    2 o   40.383   13.151 -104.9000  155.541 -72.5592  207.396 -146.4731  235.143   40.445   18.404   40.322   18.790 0.1236916 26.30169 
1 1 1   49    7    3 o   42.861   13.207 -51.9006  142.702  146.031  213.802 -210.9177  191.635   52.278   21.024   33.445   15.990 18.83316 26.41403 
1 1 1   49    7    4 o   27.407   9.6621 -457.3722  136.754 -621.2604  209.519 -335.7291  180.507   26.278   13.263   28.535   14.054 -2.256927 19.32425 
1 1 1   49    7    5 o  338.631   5.9275  7113.75  247.631  5370.82  313.492 10005.76  403.819  286.077   8.6291  391.185   8.1288 -105.1082 11.85493 
1 1 1   49    7    6 o  142.235   9.6541  1474.24  158.562  2078.35  221.444  838.618  227.145  176.691   9.8690  107.780   16.595 68.91168 19.30816 
1 1 1   49    7    7 o   40.979   12.940 -15.2549  126.358 -60.6916  151.585   88.214  228.747   33.934   15.552   48.024   20.686 -14.09066 25.88050 
1 1 1   49    7    8 o   85.109   14.478  594.378  151.841  595.149  193.228  593.134  245.514   87.559   17.980   82.659   22.696 4.900024 28.95504 
1 1 1   49    7    9 o   44.103   13.596   63.005  146.356  135.693  179.593 -80.7101  252.530   46.827   19.109   41.379   19.346 5.448307 27.19231 
1 1 1   49    7   10 o   44.363   13.222   67.087  146.819  224.863  178.855 -258.8879  257.082   52.581   19.754   36.145   17.582 16.43589 26.44461 
1 1 1   49    9    0 o  211.382   6.8823  2941.45  184.233  2663.76  251.933  3260.64  270.104  200.569   9.8911  222.194   9.5724 -21.62569 13.76460 
1 1 1   49    9    1 o  127.442   9.6396  1126.81  154.579  1237.66  213.435  1004.51  224.175  134.906   12.458  119.978   14.713 14.92886 19.27920 
1 1 1   49    9    2 o   25.828   12.977 -613.9658  133.274 -724.1311  188.260 -503.2901  188.696  ?   ?    25.828   12.977      ?      ? 
1 1 1   49    9    3 o   39.192   12.561 -42.2503  135.374  -5.2588  192.329 -78.5712  190.578   40.924   18.247   37.459   17.267 3.465328 25.12218 
1 1 1   49    9    4 o   36.641   12.186 -128.5380  143.735 -118.9442  188.840 -141.7507  221.614   35.472   16.630   37.809   17.816 -2.336807 24.37188 
1 1 1   49    9    5 o   83.232   13.828  561.620  143.462  598.427  191.940  515.029  215.947   88.056   17.777   78.409   21.185 9.646851 27.65572 
1 1 1   49    9    6 o   59.539   13.608  260.922  149.104  514.617  199.076 -63.2341  225.030   78.931   19.873   40.146   18.596 38.78501 27.21696 
1 1 1   49    9    7 o   42.202   13.054   42.244  133.923 -28.4722  180.795  128.223  199.354   37.493   17.108   46.911   19.722 -9.417912 26.10863 
1 1 1   49    9    8 o   64.966   13.867  382.538  136.235  505.250  178.667  212.092  210.570   78.253   18.305   51.680   20.836 26.57283 27.73479 
1 1 1   49   11    0 o   39.310   12.339 -32.2909  132.693  111.266  177.431 -214.4717  199.880   45.542   18.833   33.078   15.947 12.46411 24.67836 
1 1 1   49   11    1 o   72.554   12.440  390.045  142.186  769.195  208.918   62.893  194.064  101.615   16.190   43.493   18.893 58.12201 24.88083 
1 1 1   49   11    2 o   36.982   12.039 -123.7147  136.993 -306.9633  187.620   85.546  200.494   29.129   14.343   44.836   19.340 -15.70727 24.07784 
1 1 1   49   11    3 f   50.184   13.758  152.919  140.490 -37.0118  201.524  332.504  195.959   38.799   17.837   61.570   20.950 -22.77176 27.51524 
1 1 1   49   11    4 o   42.911   13.563   4.4360  156.648  175.870  229.325 -145.5310  214.487   50.115   21.115   35.707   17.028 14.40876 27.12613 
1 1 1   50    0    0 o   39.761   15.399  150.718  157.508  150.718  157.508  150.718  157.508   39.761   21.777   39.761   21.777 -0.000000 0.000000 
1 1 1   50    0    1 o  104.442   7.7904  725.114  142.407  725.114  142.407  725.114  142.407  104.442   11.017  104.442   11.017 -0.000000 0.000000 
1 1 1   50    0    2 o  111.030   7.4067  814.086  144.673  814.086  144.673  814.086  144.673  111.030   10.475  111.030   10.475 -0.000000 0.000000 
1 1 1   50    0    3 o   54.138   15.519  271.056  147.734  271.056  147.734  271.056  147.734   54.138   21.947   54.138   21.947 -0.000000 0.000000 
1 1 1   50    0    4 o   47.503   15.245  219.780  140.532  219.780  140.532  219.780  140.532   47.503   21.560   47.503   21.560 -0.000000 0.000000 
1 1 1   50    0    5 o   25.131   11.670 -12.0551  132.612 -12.0551  132.612 -12.0551  132.612   25.131   16.504   25.131   16.504 -0.000000 0.000000 
1 1 1   50    0    6 o   66.737   13.120  354.574  136.029  354.574  136.029  354.574  136.029   66.737   18.554   66.737   18.554 -0.000000 0.000000 
1 1 1   50    0    7 o  ?   ?  -609.9233  150.611 -609.9233  150.611 -609.9233  150.611  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   50    0    8 o   14.625   7.6185 -414.7514  143.663 -414.7514  143.663 -414.7514  143.663   14.625   10.774   14.625   10.774 -0.000000 0.000000 
1 1 1   50    0    9 o   83.555   9.0120  489.696  125.897  489.696  125.897  489.696  125.897   83.555   12.745   83.555   12.745 -0.000000 0.000000 
1 1 1   50    0   10 o  137.240   5.6392  1230.57  137.918  1230.57  137.918  1230.57  137.918  137.240   7.9750  137.240   7.9750 -0.000000 0.000000 
1 1 1   50    0   11 o  124.918   6.5354  1035.29  144.773  1035.29  144.773  1035.29  144.773  124.918   9.2424  124.918   9.2424 -0.000000 0.000000 
1 1 1   50    0   12 o  165.612   4.9872  1784.56  147.723  1784.56  147.723  1784.56  147.723  165.612   7.0530  165.612   7.0530 -0.000000 0.000000 
1 1 1   50    2    0 o  136.026   6.4281  1189.53  110.599  1060.38  149.882  1343.92  163.873  127.938   9.2252  144.114   8.9542 -16.17603 12.85617 
1 1 1   50    2    1 o   33.225   15.268 -90.8853  147.398   0.0000   0.0000 -90.8853  147.398  ?   ?    33.225   15.268      ?      ? 
1 1 1   50    2    2 o  111.809   7.6379  790.329  106.546  645.567  136.942  1012.37  169.600   99.267   10.863  124.352   10.740 -25.08555 15.27580 
1 1 1   50    2    3 o   72.132   11.079  365.623   98.419  366.985  134.903  364.073  143.902   72.477   15.145   71.788   16.173 0.6886826 22.15706 
1 1 1   50    2    4 o   44.067   12.103   88.719   99.956  155.416  142.847   24.731  139.917   49.527   17.812   38.606   16.392 10.92181 24.20655 
1 1 1   50    2    5 o   43.142   12.305   76.344  104.725   40.440  146.458  113.909  149.807   40.214   16.905   46.069   17.885 -5.855160 24.61023 
1 1 1   50    2    6 o   98.445   8.1370  650.948  101.014  603.669  147.998  692.183  138.213   94.732   12.302  102.158   10.654 -7.426208 16.27398 
1 1 1   50    2    8 o   26.347   8.9971 -176.3777   90.913 -154.6368  129.348 -197.6035  127.807   27.225   13.048   25.469   12.391 1.756033 17.99410 
1 1 1   50    2    9 o   74.387   10.602  406.398   96.418  430.385  131.934  378.902  141.253   77.466   13.923   71.308   15.993 6.157822 21.20414 
1 1 1   50    2   10 o  129.206   6.0928  1104.72   99.501  1065.78  133.475  1153.41  149.279  126.870   8.2845  131.542   8.9363 -4.671867 12.18562 
1 1 1   50    2   11 o  116.727   6.1556  909.822   91.021  825.956  126.047  1001.21  131.577  110.949   8.9460  122.504   8.4577 -11.55442 12.31117 
1 1 1   50    2   12 o  144.630   5.6408  1399.57  103.317  1463.32  143.359  1330.69  149.032  148.384   7.6078  140.876   8.3304 7.508072 11.28159 
1 1 1   50    4    0 o   90.846   9.0027  545.682  103.295  534.321  138.461  559.941  155.116   89.962   12.120   91.730   13.316 -1.768852 18.00546 
1 1 1   50    4    1 o   93.581   8.5295  574.842  100.790  497.121  136.686  667.460  149.213   86.584   12.431  100.577   11.682 -13.99309 17.05898 
1 1 1   50    4    2 o   73.831   11.644  387.115  106.315  383.980  147.025  390.549  153.915   73.635   16.166   74.026   16.762 -0.3908920 23.28742 
1 1 1   50    4    3 o   40.018   12.268  -8.7785  120.377 -135.2456  188.349   78.551  156.515   36.015   16.794   44.021   17.888 -8.005592 24.53593 
1 1 1   50    4    4 o   35.243   11.432 -106.2052  121.504 -295.6501  201.269   2.4263  152.410   32.143   15.617   38.343   16.699 -6.200356 22.86375 
1 1 1   50    4    5 o   38.504   12.111 -95.0854  106.275  134.465  210.648 -173.4652  123.089   51.198   20.770   25.809   12.461 25.38927 24.22159 
1 1 1   50    4    6 o  197.912   10.609  2609.61  266.642  2609.61  266.642   0.0000   0.0000  197.912   10.609  ?   ?       ?      ? 
1 1 1   50    4    7 o   70.168   12.945  337.009  111.119  517.602  200.183  256.583  133.590   81.713   19.553   58.623   16.971 23.09059 25.89065 
1 1 1   50    4    8 o   99.404   12.150  783.773  139.087  951.408  179.849  534.323  219.391  117.870   12.015   80.938   21.121 36.93185 24.29913 
1 1 1   50    4    9 o  199.478   6.9100  2702.15  169.776  2806.50  218.355  2542.62  269.976  205.886   8.3514  193.070   11.011 12.81610 13.81997 
1 1 1   50    4   10 o  150.300   8.6204  1593.04  156.683  1627.00  196.236  1533.30  260.239  154.836   9.9799  145.764   14.059 9.071838 17.24075 
1 1 1   50    4   11 o   61.631   14.770  286.419  139.063  149.182  171.321  551.488  238.098   46.627   18.796   76.635   22.788 -30.00782 29.53959 
1 1 1   50    6    0 o   46.540   14.905 -42.4946  179.508   0.8324  214.291 -144.4181  328.672   44.631   19.609   48.449   22.453 -3.817894 29.81062 
1 1 1   50    6    1 o   88.619   15.420  602.698  168.945  607.494  213.674  594.701  275.944   90.790   19.136   86.448   24.186 4.342567 30.84039 
1 1 1   50    6    2 o   41.057   12.869 -16.5020  132.229 -35.6707  176.032   8.3190  200.310   38.745   17.353   43.369   19.009 -4.623909 25.73855 
1 1 1   50    6    3 o  ?   ?  -721.7018  122.708 -709.7190  185.489 -731.0269  163.630  ?   ?   ?   ?       ?      ? 
1 1 1   50    6    4 o  261.235   6.0844  4425.28  195.786  3113.64  262.546  6068.46  293.860  217.156   9.5204  305.314   7.5791 -88.15851 12.16884 
1 1 1   50    6    5 o  145.241   8.4619  1312.43  138.490  2481.77  230.481  651.676  173.255  193.671   9.3711   96.810   14.092 96.86102 16.92382 
1 1 1   50    6    6 o   58.353   14.944  242.053  136.939  186.901  168.704  348.578  234.462   51.663   19.229   65.042   22.880 -13.37926 29.88721 
1 1 1   50    6    7 o  102.651   11.869  766.298  130.736  747.495  151.787  820.333  257.318  104.584   11.429  100.718   20.806 3.865738 23.73859 
1 1 1   50    6    8 o   80.131   14.544  530.938  144.790  515.472  180.604  558.758  242.231   80.893   18.040   79.368   22.817 1.524849 29.08716 
1 1 1   50    6    9 o   53.841   15.351  209.653  153.108  158.381  186.445  315.833  268.307   48.300   19.560   59.382   23.665 -11.08222 30.70217 
1 1 1   50    6   10 o   62.730   15.096  374.352  157.117  481.704  200.831  204.990  252.251   73.555   20.652   51.905   22.022 21.65039 30.19106 
1 1 1   50    8    0 o  229.371   6.2851  3419.14  181.954  2974.51  243.943  3976.71  273.173  212.622   9.0345  246.121   8.7400 -33.49953 12.57019 
1 1 1   50    8    1 o   37.545   12.337 -110.0932  141.267 -87.4704  207.534 -129.6256  192.839   39.095   18.021   35.995   16.853 3.100040 24.67315 
1 1 1   50    8    2 o   40.652   13.143 -70.9626  147.441   19.068  237.514 -127.4071  188.064   45.885   20.379   35.419   16.602 10.46636 26.28593 
1 1 1   50    8    3 o   36.267   11.909 -134.4735  135.281   8.0010  195.467 -265.4583  187.420   41.778   18.525   30.755   14.972 11.02286 23.81843 
1 1 1   50    8    4 o   62.269   14.401  315.124  144.224  444.168  190.111  140.165  221.365   74.310   19.792   50.228   20.925 24.08249 28.80238 
1 1 1   50    8    5 o   44.758   13.661   73.337  141.019  116.174  174.696  -6.7839  238.916   45.814   18.789   43.702   19.835 2.111660 27.32118 
1 1 1   50    8    6 o   47.268   14.188  113.345  143.346   88.651  179.702  156.549  237.695   43.904   18.605   50.632   21.424 -6.728493 28.37522 
1 1 1   50    8    7 o   84.810   14.843  595.316  152.351  529.782  186.596  726.367  263.868   80.505   18.622   89.115   23.119 -8.610535 29.68589 
1 1 1   50    8    8 o   67.940   20.758  416.299  195.610  416.299  195.610   0.0000   0.0000   67.940   20.758  ?   ?       ?      ? 
1 1 1   50   10    0 o   38.841   12.508 -44.5297  137.890   25.005  189.400 -122.9531  201.141   41.476   18.320   36.206   17.034 5.270260 25.01611 
1 1 1   50   10    1 o   60.336   14.021  307.934  132.671  389.452  168.521  175.049  215.162   69.488   18.690   51.183   20.905 18.30504 28.04149 
1 1 1   50   10    2 o   62.177   14.077  333.155  147.085  491.882  188.211   84.125  235.747   77.506   19.217   46.848   20.576 30.65741 28.15429 
1 1 1   50   10    3 o   62.825   13.931  332.800  149.867  548.432  199.236   51.793  227.441   81.154   19.562   44.496   19.841 36.65767 27.86259 
1 1 1   50   10    4 o  111.523   12.367  981.843  169.672  1008.62  229.477  949.547  252.005  115.560   15.637  107.485   19.165 8.075668 24.73491 
1 1 1   51    1    0 o  127.014   6.7518  1026.04  107.613  870.165  140.339  1248.48  167.653  115.578   9.5615  138.451   9.5354 -22.87283 13.50354 
1 1 1   51    1    1 o   42.447   12.178   69.866  101.870   87.515  132.227   44.093  159.786   42.741   16.744   42.153   17.686 0.5877838 24.35507 
1 1 1   51    1    2 o   61.922   12.537  275.912  103.609  266.110  144.243  286.360  148.918   60.860   17.639   62.983   17.819 -2.122822 25.07329 
1 1 1   51    1    3 f   47.250   12.305  132.612  101.339  191.105  132.939   51.472  156.574   52.489   17.245   42.012   17.559 10.47699 24.61097 
1 1 1   51    1    4 o  108.513   7.4537  782.669  102.215  839.215  141.713  721.351  147.573  112.882   9.8857  104.144   11.158 8.737526 14.90746 
1 1 1   51    1    5 o   21.215   10.754 -542.0580  103.977 -584.2411  146.821 -499.6154  147.272  ?   ?    21.215   10.754      ?      ? 
1 1 1   51    1    6 o  186.868   5.2241  2268.83  123.422  2570.63  178.397  1991.75  170.933  198.966   7.0604  174.769   7.7016 24.19708 10.44820 
1 1 1   51    1    7 o   32.231   10.414 -64.1978   95.808 -108.6266  132.939 -16.1832  138.200   29.549   13.885   34.913   15.524 -5.364016 20.82747 
1 1 1   51    1    8 o   69.443   10.403  357.489   90.716  447.706  125.508  258.797  131.271   80.596   12.263   58.290   16.808 22.30563 20.80603 
1 1 1   51    1    9 o  125.197   5.8911  1039.38   93.659  1041.98  133.178  1036.84  131.742  125.329   8.3677  125.065   8.2949 0.2634277 11.78230 
1 1 1   51    1   10 o   73.697   10.116  403.837   92.251  457.900  128.210  345.801  132.838   80.483   12.544   66.910   15.873 13.57317 20.23126 
1 1 1   51    1   11 o  105.092   8.4151  729.184  106.147  628.778  127.549  955.368  191.439   95.301   10.539  114.883   13.122 -19.58215 16.83020 
1 1 1   51    3    0 o   53.451   13.188   89.600  119.999  391.592  208.557 -59.8548  146.718   72.464   21.270   34.437   15.596 38.02701 26.37528 
1 1 1   51    3    1 o   46.492   12.962  100.074  118.780 -50.2064  204.591  176.483  145.885   41.371   18.605   51.613   18.054 -10.24213 25.92457 
1 1 1   51    3    2 o   37.895   17.048 -325.4272  142.647 -47.3569  171.955 -939.0995  255.450   37.895   17.048  ?   ?       ?      ? 
1 1 1   51    3    3 o   57.593   14.426  193.611  119.360  354.589  235.694  138.087  138.422   67.970   22.977   47.215   17.448 20.75463 28.85136 
1 1 1   51    3    4 o   39.699   13.132 -144.0060  121.920   81.769  283.399 -195.2820  135.057   52.655   22.852   26.742   12.945 25.91270 26.26401 
1 1 1   51    3    5 o  282.375   5.7761  4940.87  182.242  5804.88  367.719  4659.55  209.823  296.113   9.7787  268.637   6.1505 27.47589 11.55211 
1 1 1   51    3    6 o   24.553   8.7610 -421.4906  113.245 -487.0063  199.593 -390.3874  137.523   27.270   13.651   21.836   10.986 5.433937 17.52192 
1 1 1   51    3    7 o   84.580   11.229  495.307  115.741  674.436  190.438  390.387  145.747   96.915   15.473   72.246   16.276 24.66889 22.45764 
1 1 1   51    3    8 o   56.394   13.579  250.105  135.974  381.969  168.554   4.3743  230.094   69.155   18.730   43.632   19.666 25.52301 27.15803 
1 1 1   51    3    9 o  137.281   8.8381  1281.54  147.464  1180.78  181.225  1478.99  253.692  131.162   10.880  143.400   13.931 -12.23802 17.67618 
1 1 1   51    3   10 o   46.243   13.702  122.387  134.102   79.157  176.075  182.102  206.938   42.423   18.209   50.064   20.481 -7.641014 27.40497 
1 1 1   51    5    0 o   62.781   15.256  293.026  148.891  340.105  187.614  212.932  244.711   67.265   20.280   58.297   22.796 8.967445 30.51101 
1 1 1   51    5    1 o   61.557   13.945  265.163  148.712 -25.3101  233.356  463.799  192.973   44.622   19.983   78.493   19.457 -33.87110 27.89037 
1 1 1   51    5    2 o   26.400   13.362 -898.6411  135.965 -699.6514  221.922 -1018.2220  172.035   26.400   13.362  ?   ?       ?      ? 
1 1 1   51    5    3 o  259.485   6.2610  4480.33  202.650  4039.05  307.043  4820.91  269.747  247.056   9.7865  271.914   7.8117 -24.85869 12.52191 
1 1 1   51    5    4 o   44.229   13.579   17.637  136.851  134.303  229.117 -47.0719  170.634   51.390   21.339   37.067   16.800 14.32346 27.15836 
1 1 1   51    5    5 o   94.165   11.681  649.635  135.728  658.733  183.475  638.639  201.716   96.384   14.990   91.947   17.919 4.437675 23.36224 
1 1 1   51    5    6 o  107.421   11.103  857.122  129.490  883.412  153.767  793.019  240.107  114.348   10.589  100.494   19.518 13.85334 22.20518 
1 1 1   51    5    7 o   79.410   13.959  439.821  131.679  315.923  154.963  761.705  249.774   62.944   18.295   95.876   21.088 -32.93140 27.91759 
1 1 1   51    5    8 o  125.384   9.1678  1105.05  140.552  1076.10  176.130  1155.80  233.219  124.904   11.104  125.864   14.591 -0.9604416 18.33561 
1 1 1   51    5    9 o   98.135   12.911  725.804  153.402  563.878  190.708  1022.63  258.204   82.762   18.598  113.508   17.913 -30.74545 25.82161 
1 1 1   51    7    0 o  141.033   9.2127  1360.76  164.482  1501.80  235.984  1227.49  229.383  148.535   12.511  133.530   13.527 15.00502 18.42540 
1 1 1   51    7    1 o   26.280   9.4295 -625.6935  145.574 -546.9606  232.628 -676.3713  186.635   29.561   14.789   22.998   11.703 6.563511 18.85899 
1 1 1   51    7    2 o   61.336   14.893  295.770  143.936  366.548  196.219  213.318  211.783   67.526   20.817   55.145   21.305 12.38139 29.78645 
1 1 1   51    7    3 o   59.884   14.173  290.617  135.747  373.299  169.596  143.203  226.454   68.894   18.842   50.874   21.177 18.01966 28.34561 
1 1 1   51    7    4 o   89.409   12.324  678.850  127.774  831.830  158.888  398.827  214.967  110.316   11.342   68.502   21.884 41.81388 24.64881 
1 1 1   51    7    5 o   71.238   15.209  384.418  147.361  247.333  180.161  661.517  256.145   55.725   20.007   86.750   22.911 -31.02495 30.41708 
1 1 1   51    7    6 o   82.507   14.290  583.733  143.533  605.930  169.874  528.341  268.352   91.021   14.696   73.992   24.511 17.02897 28.57900 
1 1 1   51    7    7 o   41.504   12.851   25.000  142.307  155.669  170.271 -277.7368  259.172   47.140   18.831   35.868   17.492 11.27184 25.70214 
1 1 1   51    9    0 o   51.825   14.865  173.258  151.972  123.975  202.373  236.989  230.136   47.819   19.972   55.832   22.022 -8.012592 29.72965 
1 1 1   51    9    1 o   85.576   13.768  625.711  153.870  806.214  204.428  389.796  233.710  104.951   15.338   66.202   22.868 38.74854 27.53593 
1 1 1   51    9    2 o   43.710   13.170   41.861  144.970  198.071  182.077 -228.6596  239.609   51.394   19.783   36.026   17.392 15.36785 26.34056 
1 1 1   51    9    3 o  101.916   12.113  809.372  151.254  740.960  222.800  867.854  205.997   95.418   19.054  108.413   14.962 -12.99526 24.22652 
1 1 1   51    9    4 o   80.704   14.884  588.039  156.694  664.972  208.670  488.569  237.273   89.814   18.894   71.594   23.005 18.21986 29.76888 
1 1 1   52    0    0 o   17.292   8.9148 -362.6006  163.647 -362.6006  163.647 -362.6006  163.647   17.292   12.607   17.292   12.607 -0.000000 0.000000 
1 1 1   52    0    1 o   23.786   11.429 -67.2037  147.896 -67.2037  147.896 -67.2037  147.896   23.786   16.164   23.786   16.164 -0.000000 0.000000 
1 1 1   52    0    2 o   36.249   14.868  120.269  158.298  120.269  158.298  120.269  158.298   36.249   21.027   36.249   21.027 -0.000000 0.000000 
1 1 1   52    0    3 o   18.475   9.3681 -223.1542  146.655 -223.1542  146.655 -223.1542  146.655   18.475   13.248   18.475   13.248 -0.000000 0.000000 
1 1 1   52    0    4 o  195.210   5.1270  2458.18  179.184  2458.18  179.184  2458.18  179.184  195.210   7.2507  195.210   7.2507 -0.000000 0.000000 
1 1 1   52    0    5 o   19.156   9.5905 -157.3679  136.290 -157.3679  136.290 -157.3679  136.290   19.156   13.563   19.156   13.563 -0.000000 0.000000 
1 1 1   52    0    6 o   34.684   14.248  114.626  145.692  114.626  145.692  114.626  145.692   34.684   20.149   34.684   20.149 -0.000000 0.000000 
1 1 1   52    0    7 o   40.125   14.701  171.173  136.831  171.173  136.831  171.173  136.831   40.125   20.790   40.125   20.790 -0.000000 0.000000 
1 1 1   52    0    8 o  152.089   5.2583  1506.26  142.844  1506.26  142.844  1506.26  142.844  152.089   7.4364  152.089   7.4364 -0.000000 0.000000 
1 1 1   52    0    9 o   60.242   13.577  315.721  129.390  315.721  129.390  315.721  129.390   60.242   19.201   60.242   19.201 -0.000000 0.000000 
1 1 1   52    2    0 o   41.483   12.376   26.658  118.012 -119.5370  192.334  114.929  149.451   36.908   17.130   46.059   17.868 -9.151234 24.75295 
1 1 1   52    2    1 o  116.713   10.238  948.999  135.316  895.794  251.165  970.757  160.619  112.286   17.614  121.141   10.441 -8.855148 20.47585 
1 1 1   52    2    2 o   42.031   19.584 -138.1785  255.320 -138.1785  255.320   0.0000   0.0000   42.031   19.584  ?   ?       ?      ? 
1 1 1   52    2    3 o  280.208   10.514  5225.79  374.128  5225.79  374.128   0.0000   0.0000  280.208   10.514  ?   ?       ?      ? 
1 1 1   52    2    4 o   60.630   14.389  294.408  133.858  124.003  272.351  348.683  153.704   53.214   22.738   68.046   17.641 -14.83159 28.77899 
1 1 1   52    2    5 o   33.719   11.374 -208.0081  119.756 -12.2431  215.970 -294.9249  143.905   42.652   19.154   24.786   12.271 17.86613 22.74717 
1 1 1   52    2    6 o  110.050   8.6576  819.534  119.012  916.740  189.564  756.293  152.901  114.789   13.004  105.311   11.433 9.478500 17.31525 
1 1 1   52    2    7 o   50.791   14.333  174.716  137.755  175.623  177.601  173.347  218.253   50.142   19.471   51.440   21.037 -1.297440 28.66540 
1 1 1   52    2    8 o   47.244   13.401  130.950  132.624  237.573  172.427 -23.5050  207.531   54.371   19.568   40.116   18.315 14.25456 26.80177 
1 1 1   52    2    9 o   93.153   12.565  687.125  141.151  676.318  179.573  704.596  228.332   95.404   14.822   90.901   20.293 4.502892 25.12970 
1 1 1   52    4    0 o  ?   ?  -777.5488  142.989 -960.0837  240.467 -677.7035  177.847  ?   ?   ?   ?       ?      ? 
1 1 1   52    4    1 o  117.533   12.061  1052.68  156.871  514.193  221.777  1591.87  221.922   80.932   21.292  154.134   11.338 -73.20268 24.12218 
1 1 1   52    4    2 o  219.967   7.1316  3263.47  194.942  2902.07  297.020  3536.95  258.380  207.919   11.249  232.015   8.7693 -24.09563 14.26326 
1 1 1   52    4    3 o   28.147   9.9927 -481.3068  141.798 -440.8372  233.944 -504.8086  178.278   31.641   15.661   24.652   12.416 6.988701 19.98548 
1 1 1   52    4    4 o   37.380   12.232 -95.1830  138.237 -35.1712  194.688 -156.2022  196.316   39.686   17.970   35.074   16.601 4.612026 24.46421 
1 1 1   52    4    5 o   57.380   13.364  258.400  135.195  401.564  166.348 -20.1475  232.034   71.692   18.230   43.067   19.547 28.62492 26.72877 
1 1 1   52    4    6 f   57.057   15.031  255.058  139.457  248.061  167.538  270.844  251.640   55.971   19.361   58.142   22.998 -2.170235 30.06221 
1 1 1   52    4    7 o  147.079   8.7684  1504.07  156.471  1465.82  194.168  1574.91  264.261  146.507   10.436  147.651   14.094 -1.143906 17.53687 
1 1 1   52    4    8 o   48.591   14.450   98.867  144.154  -5.4184  174.052  326.657  257.237   37.760   17.054   59.421   23.332 -21.66112 28.90014 
1 1 1   52    6    0 o   35.596   11.967 -186.7731  147.754 -225.6705  208.774 -147.7405  209.137   34.331   16.486   36.861   17.351 -2.530281 23.93435 
1 1 1   52    6    1 f   37.619   12.493 -133.2359  150.079 -139.4682  230.697 -128.6631  197.611   38.996   18.314   36.242   16.998 2.754944 24.98630 
1 1 1   52    6    2 o   38.691   12.687 -103.4157  149.021 -176.8940  203.065 -17.6624  219.372   34.962   16.644   42.419   19.153 -7.457794 25.37450 
1 1 1   52    6    3 o   92.737   13.079  741.549  142.676  909.602  177.613  435.822  239.562  114.799   12.183   70.675   23.147 44.12403 26.15702 
1 1 1   52    6    4 o   46.897   13.963   80.561  132.317   13.356  158.734  233.591  239.529   38.143   16.814   55.651   22.298 -17.50736 27.92693 
1 1 1   52    6    5 o  156.896   9.3659  1776.44  166.413  1820.50  198.177  1671.08  306.456  164.336   9.4960  149.456   16.146 14.87965 18.73184 
1 1 1   52    6    6 o   90.288   14.363  724.912  152.824  776.942  181.332  597.351  283.928  103.528   13.792   77.048   25.197 26.47980 28.72503 
1 1 1   52    6    7 o   77.870   15.573  548.116  154.385  519.667  186.820  609.386  274.163   78.562   18.946   77.179   24.721 1.382164 31.14572 
1 1 1   52    8    0 o   50.933   14.566  172.286  145.098  158.882  193.546  189.487  219.249   49.485   19.967   52.381   21.211 -2.896870 29.13102 
1 1 1   52    8    1 o   52.166   14.800  192.798  149.262  230.208  219.640  160.696  203.465   54.637   21.526   49.696   20.317 4.941238 29.59943 
1 1 1   52    8    2 o   61.140   14.855  318.698  152.996  462.931  206.678  143.838  227.566   73.001   21.102   49.280   20.913 23.72025 29.70985 
1 1 1   52    8    3 o   47.141   12.657   98.438  130.280  318.444  173.274 -187.6807  197.602   61.146   19.660   33.135   15.945 28.01054 25.31315 
1 1 1   52    8    4 o   91.952   12.737  739.821  136.647  877.573  170.897  495.635  227.534  111.268   12.095   72.635   22.420 38.63232 25.47459 
1 1 1   53    1    0 o  158.115   10.115  1875.42  178.383  1320.40  306.439  2159.89  219.384  135.290   17.836  180.939   9.5476 -45.64915 20.23074 
1 1 1   53    1    1 o  313.294   6.8380  6427.62  256.985  6694.38  446.003  6295.04  314.427  316.101   11.111  310.487   7.9744 5.614166 13.67610 
1 1 1   53    1    2 o   28.305   10.175 -628.3815  156.057 -573.8957  274.887 -654.2938  189.568   32.994   16.438   23.616   11.995 9.377928 20.34938 
1 1 1   53    1    3 o   52.363   13.624   93.234  146.802  398.986  211.378 -191.6443  204.036   69.943   21.613   34.782   16.593 35.16088 27.24832 
1 1 1   53    1    4 o   67.145   11.497  235.394  143.068  742.297  211.005 -195.9289  194.640  100.817   16.481   33.473   16.033 67.34461 22.99303 
1 1 1   53    1    5 o   58.863   14.317  247.371  138.266  100.864  183.289  440.834  210.624   45.474   19.001   72.253   21.421 -26.77831 28.63402 
1 1 1   53    1    6 o   53.806   14.643  213.311  139.575  162.479  181.506  286.864  218.335   49.008   19.485   58.604   21.863 -9.596447 29.28563 
1 1 1   53    1    7 f  133.149   9.0047  1255.09  149.898  1241.05  195.744  1275.02  233.087  133.497   11.546  132.800   13.821 0.6964722 18.00933 
1 1 1   53    1    8 o   48.434   14.001  167.662  136.195  167.662  182.856  167.662  204.110   48.120   19.411   48.748   20.183 -0.6279793 28.00241 
1 1 1   53    3    0 o  221.205   7.5542  3335.84  199.500  3047.92  336.578  3491.78  247.703  211.643   12.523  230.768   8.4524 -19.12544 15.10847 
1 1 1   53    3    1 o   28.368   10.094 -513.4180  147.945 -542.5020  251.940 -498.1103  182.778   31.458   15.684   25.278   12.710 6.180227 20.18712 
1 1 1   53    3    2 o   34.960   11.688 -161.2417  138.463 -89.9954  184.617 -252.8445  209.337   36.425   16.862   33.495   16.191 2.929989 23.37695 
1 1 1   53    3    3 o   39.530   12.896 -76.9974  143.445 -116.7993  178.853  -5.2317  240.161   34.562   16.198   44.498   20.070 -9.935379 25.79102 
1 1 1   53    3    4 o   63.871   15.262  325.654  148.807  228.080  196.212  457.752  228.303   54.895   20.677   72.847   22.454 -17.95157 30.52384 
1 1 1   53    3    5 o   48.845   13.291  145.013  136.172  280.678  165.058 -144.1016  240.955   58.889   19.209   38.801   18.373 20.08833 26.58109 
1 1 1   53    3    6 o   87.298   13.948  580.072  145.123  456.911  176.826  834.210  254.005   74.878   18.662   99.717   20.734 -24.83955 27.89615 
1 1 1   53    3    7 o   53.120   14.591  229.130  149.899  313.143  188.905   86.287  246.321   59.706   20.563   46.533   20.706 13.17290 29.18239 
1 1 1   53    5    0 o   49.594   14.811  105.207  163.626  193.510  228.902   12.939  233.986   54.196   21.769   44.992   20.089 9.203583 29.62172 
1 1 1   53    5    1 o   36.117   12.049 -135.4893  142.163 -53.8782  171.802 -312.7356  253.188   36.408   16.638   35.825   17.431 0.5830383 24.09712 
1 1 1   53    5    2 o   73.765   15.673  475.579  160.637  521.289  205.388  403.570  257.791   80.025   20.206   67.505   23.965 12.52015 31.34680 
1 1 1   53    5    3 o   37.965   12.455 -73.7903  142.022 -39.6417  181.622 -127.5319  227.844   37.601   17.154   38.329   18.063 -0.7279968 24.91018 
1 1 1   53    5    4 o   46.774   14.355   72.424  131.957   29.252  148.923  230.181  284.678   37.889   16.504   55.659   23.493 -17.76998 28.71051 
1 1 1   53    5    5 o   47.915   13.933  152.052  136.533  202.538  157.494  -0.6534  273.906   50.884   18.643   44.947   20.713 5.937084 27.86690 
1 1 1   53    5    6 o   50.731   14.939  169.787  152.172  102.829  187.197  300.231  261.281   44.185   18.865   57.276   23.169 -13.09049 29.87783 
1 1 1   53    7    0 o   41.088   12.724 -21.3697  139.787  160.441  190.061 -235.6058  206.315   49.192   19.809   32.983   15.975 16.20869 25.44754 
1 1 1   53    7    1 o   47.202   14.470  100.328  160.502   64.921  222.634  138.645  231.600   45.132   19.903   49.272   21.009 -4.140106 28.93948 
1 1 1   53    7    2 o   63.990   14.777  360.516  165.142  569.761  216.568   69.810  255.266   81.244   20.878   46.736   20.917 34.50811 29.55315 
1 1 1   53    7    3 o   45.438   13.714  112.973  138.236  150.260  166.644   30.707  247.529   46.580   18.622   44.295   20.137 2.284542 27.42761 
1 1 1   54    2    0 f   69.906   21.825  403.271  214.914  403.271  214.914   0.0000   0.0000   69.906   21.825  ?   ?       ?      ? 
1 1 1   54    2    1 o   53.771   21.579  194.001  224.705  194.001  224.705   0.0000   0.0000   53.771   21.579  ?   ?       ?      ? 
1 1 1   54    2    2 o   49.165   19.113  161.696  171.278  161.696  171.278   0.0000   0.0000   49.165   19.113  ?   ?       ?      ? 
1 1 1   54    2    3 o   45.390   19.233   94.802  191.997   94.802  191.997   0.0000   0.0000   45.390   19.233  ?   ?       ?      ? 
1 1 1   54    2    4 o   49.098   19.758  162.507  188.961  162.507  188.961   0.0000   0.0000   49.098   19.758  ?   ?       ?      ? 
1 1 1   54    2    5 o   61.354   19.833  321.120  176.161  321.120  176.161   0.0000   0.0000   61.354   19.833  ?   ?       ?      ? 
1 1 1   54    2    6 o   86.596   18.452  616.454  196.714  616.454  196.714   0.0000   0.0000   86.596   18.452  ?   ?       ?      ? 
1 1 1   54    4    0 o   57.577   21.820  259.427  219.348  259.427  219.348   0.0000   0.0000   57.577   21.820  ?   ?       ?      ? 
1 1 1   54    4    1 o   39.710   12.574 -23.2877  137.622   85.490  170.263 -228.2905  233.738   43.504   18.255   35.916   17.298 7.588207 25.14860 
1 1 1   54    4    2 o   45.742   13.982   86.090  145.212   85.875  183.011   86.454  238.589   44.097   18.736   47.386   20.759 -3.289261 27.96347 
1 1 1   54    4    3 o   47.401   14.280  120.367  144.705  117.354  176.415  126.565  252.981   45.339   18.767   49.463   21.529 -4.124226 28.56027 
1 1 1   54    4    4 o   42.913   13.315   46.818  129.059  -0.6510  155.171  153.350  232.458   36.412   16.301   49.415   21.058 -13.00252 26.63059 
1 1 1   54    4    5 o  113.122   10.785  923.829  144.822  848.809  174.046  1092.68  261.111  108.840   12.592  117.405   17.513 -8.563957 21.57006 
1 1 1   54    6    0 o   51.105   14.369  141.743  163.556  352.610  214.545 -150.8438  252.721   63.101   21.904   39.110   18.605 23.99139 28.73897 
1 1 1   54    6    1 o   58.374   14.693  303.949  144.821  365.705  171.809  152.375  269.164   65.908   19.294   50.840   22.166 15.06874 29.38680 
1 1 1   54    6    2 o   43.555   13.730 -20.9109  155.005 -179.1369  197.417  233.435  250.298   33.233   15.978   53.878   22.332 -20.64521 27.45931 
#END OF REFLECTIONS
