data_r4c4ysf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4c4y 
_cell.length_a      81.6350 
_cell.length_b      46.3400 
_cell.length_c      80.2930 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.00001 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.405 
_diffrn_reflns.pdbx_d_res_low    57.244 
_diffrn_reflns.limit_h_max       33 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       19 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       33 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            12354 
_diffrn_reflns.pdbx_number_obs   11907 
# 
_entry.id   4c4y 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4c4y 
_symmetry.space_group_name_H-M   'P 21 2 21' 
_symmetry.Int_Tables_number      2018 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'           
2 '-X,  Y,  -Z'         
3 '-X+1/2,  -Y,  Z+1/2' 
4 'X+1/2,  -Y,  -Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0    4 o  583.024   14.501  3425.42  168.465 0.000000 0.000000 
1 1 1    0    0    6 o  264.605   6.6035  702.614   34.824 0.000000 0.000000 
1 1 1    0    0    8 o  811.434   20.195  6621.06  325.877 0.000000 0.000000 
1 1 1    0    0   10 o  611.979   15.242  3778.59  186.048 0.000000 0.000000 
1 1 1    0    0   12 o  210.497   5.4566  445.384   22.902 0.000000 0.000000 
1 1 1    0    0   14 o  472.347   11.834  2233.70  110.737 0.000000 0.000000 
1 1 1    0    0   16 o  757.031   26.827  5812.80  405.057 0.000000 0.000000 
1 1 1    0    0   18 o  382.969   9.6707  1475.31   73.856 0.000000 0.000000 
1 1 1    0    0   20 o  593.952   14.878  3522.39  174.788 0.000000 0.000000 
1 1 1    0    0   22 o  379.951   9.7154  1454.36   73.563 0.000000 0.000000 
1 1 1    0    0   24 o  684.466   17.388  4786.62  236.907 0.000000 0.000000 
1 1 1    0    0   26 o  293.067   7.8996  859.943   45.738 0.000000 0.000000 
1 1 1    0    0   28 o  221.700   8.8889  497.338   39.276 0.000000 0.000000 
1 1 1    0    0   30 o  114.897   10.766  137.593   24.335 0.000000 0.000000 
1 1 1    0    1    1 o  342.280   5.9892  1176.29   40.943 0.000000 0.000000 
1 1 1    0    1    2 o   54.164   1.2926   29.376   1.3933 0.000000 0.000000 
1 1 1    0    1    3 o  343.172   6.0069  1182.01   41.169 0.000000 0.000000 
1 1 1    0    1    4 o  261.795   4.6044  687.340   24.075 0.000000 0.000000 
1 1 1    0    1    5 o  191.449   3.4010  367.303   13.002 0.000000 0.000000 
1 1 1    0    1    6 o  398.246   8.1383  1567.78   54.685 0.000000 0.000000 
1 1 1    0    1    7 o  478.400   10.268  2310.21   92.928 0.000000 0.000000 
1 1 1    0    1    8 o  551.984   9.6665  3059.78  106.544 0.000000 0.000000 
1 1 1    0    1    9 o  281.485   4.9807  794.507   28.000 0.000000 0.000000 
1 1 1    0    1   10 f  482.766   10.431  2344.93   94.439 0.000000 0.000000 
1 1 1    0    1   11 o  229.802   5.0761  531.217   21.994 0.000000 0.000000 
1 1 1    0    1   12 o  419.465   7.4023  1770.15   61.998 0.000000 0.000000 
1 1 1    0    1   13 o  260.616   5.7860  675.760   27.961 0.000000 0.000000 
1 1 1    0    1   14 o  367.882   8.0501  1356.93   55.206 0.000000 0.000000 
1 1 1    0    1   15 o  250.586   5.6069  633.739   26.685 0.000000 0.000000 
1 1 1    0    1   16 o   84.739   3.4828   72.531   5.8539 0.000000 0.000000 
1 1 1    0    1   17 o  488.143   10.630  2390.41   96.876 0.000000 0.000000 
1 1 1    0    1   18 o  447.957   9.8351  1993.55   81.306 0.000000 0.000000 
1 1 1    0    1   19 o  510.331   9.0469  2613.68   92.048 0.000000 0.000000 
1 1 1    0    1   20 o  516.394   9.1681  2680.95   94.499 0.000000 0.000000 
1 1 1    0    1   21 o  449.901   10.026  1960.64   80.469 0.000000 0.000000 
1 1 1    0    1   22 o  113.241   4.3515  129.500   9.7889 0.000000 0.000000 
1 1 1    0    1   23 o  253.071   4.9527  642.708   25.003 0.000000 0.000000 
1 1 1    0    1   24 o  366.426   6.6802  1352.48   48.858 0.000000 0.000000 
1 1 1    0    1   25 o  359.154   7.9306  1327.52   55.296 0.000000 0.000000 
1 1 1    0    1   26 o  154.114   5.3877  240.302   16.514 0.000000 0.000000 
1 1 1    0    1   27 o  108.332   4.7868  119.210   10.273 0.000000 0.000000 
1 1 1    0    1   28 o  179.687   6.1253  326.166   21.957 0.000000 0.000000 
1 1 1    0    1   29 o  170.878   5.7870  296.099   19.602 0.000000 0.000000 
1 1 1    0    1   30 o   76.922   8.4294   61.757   11.476 0.000000 0.000000 
1 1 1    0    1   31 f  151.334   6.7427  241.639   20.185 0.000000 0.000000 
1 1 1    0    1   32 o   68.224   10.632   61.137   11.136 0.000000 0.000000 
1 1 1    0    1   33 o  130.748   6.9581  173.806   17.795 0.000000 0.000000 
1 1 1    0    2    0 o  134.205   3.4781  180.883   9.3079 0.000000 0.000000 
1 1 1    0    2    1 o  240.595   4.2377  580.489   20.363 0.000000 0.000000 
1 1 1    0    2    2 o  295.633   5.1910  876.565   30.644 0.000000 0.000000 
1 1 1    0    2    3 o  469.804   8.2303  2217.73   77.214 0.000000 0.000000 
1 1 1    0    2    4 o  207.267   3.6801  430.644   15.234 0.000000 0.000000 
1 1 1    0    2    5 o  266.500   4.7002  712.052   25.017 0.000000 0.000000 
1 1 1    0    2    6 o  226.064   4.0183  512.012   18.136 0.000000 0.000000 
1 1 1    0    2    7 o  121.581   2.4028  148.153   5.8313 0.000000 0.000000 
1 1 1    0    2    8 o  331.652   7.1568  1104.64   44.659 0.000000 0.000000 
1 1 1    0    2    9 o  166.427   3.7436  281.281   12.000 0.000000 0.000000 
1 1 1    0    2   10 o  250.235   5.2445  614.492   21.923 0.000000 0.000000 
1 1 1    0    2   11 o  472.083   9.5868  2239.57   90.432 0.000000 0.000000 
1 1 1    0    2   12 o  118.896   3.3412  140.092   7.1973 0.000000 0.000000 
1 1 1    0    2   13 o  121.074   3.3015  144.916   6.6735 0.000000 0.000000 
1 1 1    0    2   14 o  401.304   8.0739  1676.14   59.077 0.000000 0.000000 
1 1 1    0    2   15 o  398.123   9.9639  1592.78   79.227 0.000000 0.000000 
1 1 1    0    2   16 f  244.392   5.5102  603.878   25.634 0.000000 0.000000 
1 1 1    0    2   17 o  364.361   7.3943  1368.47   48.590 0.000000 0.000000 
1 1 1    0    2   18 o  162.593   4.0766  266.093   11.625 0.000000 0.000000 
1 1 1    0    2   19 o  746.868   16.213  5685.70  228.876 0.000000 0.000000 
1 1 1    0    2   20 o  320.084   6.7671  1021.37   37.112 0.000000 0.000000 
1 1 1    0    2   21 f  402.697   8.4385  1591.93   56.766 0.000000 0.000000 
1 1 1    0    2   22 o  255.742   5.9628  665.126   29.004 0.000000 0.000000 
1 1 1    0    2   23 o  368.706   8.2516  1344.98   55.573 0.000000 0.000000 
1 1 1    0    2   24 o  237.653   5.4510  541.213   21.369 0.000000 0.000000 
1 1 1    0    2   25 o  163.837   4.6742  269.558   15.289 0.000000 0.000000 
1 1 1    0    2   26 f  172.593   9.3298  302.869   32.007 0.000000 0.000000 
1 1 1    0    2   27 o  278.116   6.1353  768.116   28.896 0.000000 0.000000 
1 1 1    0    2   28 o  127.656   4.9086  163.693   10.570 0.000000 0.000000 
1 1 1    0    2   29 o  145.441   4.6420  199.828   11.538 0.000000 0.000000 
1 1 1    0    2   30 o  143.334   5.4352  202.690   14.941 0.000000 0.000000 
1 1 1    0    2   31 o  256.402   6.4354  666.437   30.722 0.000000 0.000000 
1 1 1    0    2   32 o   71.374   8.1732   51.396   9.7444 0.000000 0.000000 
1 1 1    0    2   33 o   31.587   15.066   15.530   10.812 0.000000 0.000000 
1 1 1    0    3    1 o   50.520   2.3238   25.849   2.3275 0.000000 0.000000 
1 1 1    0    3    2 o  327.539   5.7607  1076.16   37.685 0.000000 0.000000 
1 1 1    0    3    3 o  442.431   7.7594  1964.89   68.560 0.000000 0.000000 
1 1 1    0    3    4 o  513.965   11.098  2638.90  106.146 0.000000 0.000000 
1 1 1    0    3    5 o  803.414   17.383  6495.36  260.884 0.000000 0.000000 
1 1 1    0    3    6 o  540.964   9.4771  2939.16  102.395 0.000000 0.000000 
1 1 1    0    3    7 o  232.348   5.1119  545.996   22.551 0.000000 0.000000 
1 1 1    0    3    8 o  605.758   13.015  3736.44  150.406 0.000000 0.000000 
1 1 1    0    3    9 o  338.471   5.9752  1149.46   40.380 0.000000 0.000000 
1 1 1    0    3   10 o  112.903   2.5681  127.565   5.7766 0.000000 0.000000 
1 1 1    0    3   11 o  242.557   5.3002  601.009   24.991 0.000000 0.000000 
1 1 1    0    3   12 f  199.293   3.7297  398.395   14.841 0.000000 0.000000 
1 1 1    0    3   13 o  105.990   3.4792  113.802   6.9315 0.000000 0.000000 
1 1 1    0    3   14 o  106.163   3.4502  116.110   6.3785 0.000000 0.000000 
1 1 1    0    3   15 o  248.500   5.2304  630.559   23.077 0.000000 0.000000 
1 1 1    0    3   16 o  610.968   13.071  3835.14  155.071 0.000000 0.000000 
1 1 1    0    3   17 o   94.659   4.5365   85.300   8.2071 0.000000 0.000000 
1 1 1    0    3   18 o  272.461   5.7389  759.937   27.886 0.000000 0.000000 
1 1 1    0    3   19 o  572.219   12.301  3354.19  135.785 0.000000 0.000000 
1 1 1    0    3   20 o  735.957   18.697  5501.58  272.291 0.000000 0.000000 
1 1 1    0    3   21 o  422.308   9.4036  1732.98   71.102 0.000000 0.000000 
1 1 1    0    3   22 o  199.780   6.0653  399.935   24.057 0.000000 0.000000 
1 1 1    0    3   23 o  225.228   5.1980  508.968   23.387 0.000000 0.000000 
1 1 1    0    3   24 o  194.408   4.8605  373.725   16.099 0.000000 0.000000 
1 1 1    0    3   25 o   89.878   5.6132   77.591   8.8911 0.000000 0.000000 
1 1 1    0    3   26 o  140.831   4.7166  199.553   13.252 0.000000 0.000000 
1 1 1    0    3   27 o  302.721   6.6856  890.709   33.067 0.000000 0.000000 
1 1 1    0    3   28 o  132.586   4.6285  176.823   10.658 0.000000 0.000000 
1 1 1    0    3   29 o  262.779   5.9888  697.912   31.438 0.000000 0.000000 
1 1 1    0    3   30 o  342.388   9.0408  1176.68   61.122 0.000000 0.000000 
1 1 1    0    3   31 o  138.280   4.9184  177.877   11.227 0.000000 0.000000 
1 1 1    0    3   32 o   60.430   8.5595   37.519   7.5413 0.000000 0.000000 
1 1 1    0    4    0 o  375.106   13.238  1414.02   99.042 0.000000 0.000000 
1 1 1    0    4    1 o  298.650   7.4766  894.286   44.596 0.000000 0.000000 
1 1 1    0    4    2 o  315.008   5.5676  994.829   35.023 0.000000 0.000000 
1 1 1    0    4    3 o  473.165   8.3021  2246.08   78.428 0.000000 0.000000 
1 1 1    0    4    4 o  802.829   17.377  6495.20  260.948 0.000000 0.000000 
1 1 1    0    4    5 o  276.694   6.0257  770.165   31.492 0.000000 0.000000 
1 1 1    0    4    6 o  432.593   7.6030  1878.76   65.689 0.000000 0.000000 
1 1 1    0    4    7 o  519.828   9.1302  2716.73   94.788 0.000000 0.000000 
1 1 1    0    4    8 o  369.127   7.9746  1383.68   56.113 0.000000 0.000000 
1 1 1    0    4    9 o  231.363   4.1986  536.357   19.381 0.000000 0.000000 
1 1 1    0    4   10 o  176.819   3.3936  312.440   11.953 0.000000 0.000000 
1 1 1    0    4   11 o  269.643   4.8593  729.968   26.167 0.000000 0.000000 
1 1 1    0    4   12 f  369.910   6.5659  1375.70   48.505 0.000000 0.000000 
1 1 1    0    4   13 o  258.289   5.7217  672.326   27.991 0.000000 0.000000 
1 1 1    0    4   14 o  282.709   5.1396  801.144   28.994 0.000000 0.000000 
1 1 1    0    4   15 o  468.702   10.235  2207.55   89.925 0.000000 0.000000 
1 1 1    0    4   16 o  401.691   8.8200  1610.85   65.867 0.000000 0.000000 
1 1 1    0    4   17 o  255.086   6.7570  649.967   34.171 0.000000 0.000000 
1 1 1    0    4   18 o  346.559   7.6632  1205.02   49.733 0.000000 0.000000 
1 1 1    0    4   19 o  283.365   7.4696  805.804   42.267 0.000000 0.000000 
1 1 1    0    4   21 f  230.605   6.7668  534.561   31.030 0.000000 0.000000 
1 1 1    0    4   22 o  110.746   5.0999  121.843   10.003 0.000000 0.000000 
1 1 1    0    4   23 o  142.075   4.6293  190.646   11.278 0.000000 0.000000 
1 1 1    0    4   24 o   35.239   11.649   16.117   8.2980 0.000000 0.000000 
1 1 1    0    4   25 o  192.234   4.8569  379.619   16.682 0.000000 0.000000 
1 1 1    0    4   26 o  242.298   5.6039  561.721   22.249 0.000000 0.000000 
1 1 1    0    4   27 o  165.023   4.6153  255.640   12.715 0.000000 0.000000 
1 1 1    0    4   28 o  256.393   5.7579  677.473   26.087 0.000000 0.000000 
1 1 1    0    4   29 o  197.689   5.1111  400.950   17.781 0.000000 0.000000 
1 1 1    0    4   30 o   17.548   12.022  -5.8357   12.741 0.000000 0.000000 
1 1 1    0    4   31 o   95.143   5.2955   90.036   9.4509 0.000000 0.000000 
1 1 1    0    5    1 o  196.655   4.4917  389.873   16.707 0.000000 0.000000 
1 1 1    0    5    2 o  276.893   6.0802  770.702   31.712 0.000000 0.000000 
1 1 1    0    5    3 o  280.604   5.0194  789.134   28.116 0.000000 0.000000 
1 1 1    0    5    4 o  151.752   3.0658  230.562   9.2790 0.000000 0.000000 
1 1 1    0    5    5 o  413.053   7.2995  1703.26   59.953 0.000000 0.000000 
1 1 1    0    5    6 o  235.655   5.2790  560.164   23.489 0.000000 0.000000 
1 1 1    0    5    7 o  367.321   7.9917  1370.19   55.897 0.000000 0.000000 
1 1 1    0    5    8 o  168.684   4.1154  286.770   12.991 0.000000 0.000000 
1 1 1    0    5    9 f  267.211   5.9206  725.041   30.141 0.000000 0.000000 
1 1 1    0    5   10 o  174.269   4.2763  307.057   14.010 0.000000 0.000000 
1 1 1    0    5   11 o  144.815   3.9700  214.490   10.854 0.000000 0.000000 
1 1 1    0    5   12 o  200.931   5.5393  399.482   21.890 0.000000 0.000000 
1 1 1    0    5   13 o  447.755   9.8047  2005.35   81.520 0.000000 0.000000 
1 1 1    0    5   14 o  380.276   9.5790  1452.11   72.751 0.000000 0.000000 
1 1 1    0    5   15 o  120.081   4.7827  145.069   11.351 0.000000 0.000000 
1 1 1    0    5   16 f  168.557   4.5877  275.034   13.953 0.000000 0.000000 
1 1 1    0    5   17 o  200.048   4.9021  410.683   19.049 0.000000 0.000000 
1 1 1    0    5   18 o  218.305   6.3908  479.907   27.793 0.000000 0.000000 
1 1 1    0    5   19 o  250.086   5.9590  630.094   28.189 0.000000 0.000000 
1 1 1    0    5   20 o  213.068   5.3727  451.523   21.333 0.000000 0.000000 
1 1 1    0    5   21 o  415.564   8.6025  1759.34   62.708 0.000000 0.000000 
1 1 1    0    5   22 o  326.837   6.9242  1092.73   39.987 0.000000 0.000000 
1 1 1    0    5   23 o  189.832   4.8626  362.912   16.306 0.000000 0.000000 
1 1 1    0    5   24 o  228.762   6.9095  528.215   31.388 0.000000 0.000000 
1 1 1    0    5   25 o  175.367   4.9097  293.998   14.577 0.000000 0.000000 
1 1 1    0    5   26 o  147.395   4.6818  208.695   11.926 0.000000 0.000000 
1 1 1    0    5   27 o  140.604   4.7448  188.876   11.254 0.000000 0.000000 
1 1 1    0    5   28 o  113.161   5.0901  124.748   10.167 0.000000 0.000000 
1 1 1    0    5   29 o   32.682   13.944   10.234   14.849 0.000000 0.000000 
1 1 1    0    5   30 o   79.538   7.1080   65.688   11.136 0.000000 0.000000 
1 1 1    0    5   31 f   98.802   6.4743  100.390   12.681 0.000000 0.000000 
1 1 1    0    5   32 o  125.127   5.9388  158.857   14.790 0.000000 0.000000 
1 1 1    0    6    0 o  454.836   11.379  2083.12  103.206 0.000000 0.000000 
1 1 1    0    6    1 o  221.456   4.1028  491.602   18.137 0.000000 0.000000 
1 1 1    0    6    2 o  182.968   3.5398  335.470   12.923 0.000000 0.000000 
1 1 1    0    6    3 o  123.183   2.9476  151.685   7.2254 0.000000 0.000000 
1 1 1    0    6    4 o  186.154   3.5920  347.608   13.350 0.000000 0.000000 
1 1 1    0    6    5 o  170.694   4.1661  296.809   13.572 0.000000 0.000000 
1 1 1    0    6    6 o  207.019   3.9164  430.000   16.190 0.000000 0.000000 
1 1 1    0    6    7 o  213.539   4.9418  457.973   19.808 0.000000 0.000000 
1 1 1    0    6    8 o  171.796   4.2420  297.987   13.754 0.000000 0.000000 
1 1 1    0    6    9 o  338.292   7.4178  1155.88   47.340 0.000000 0.000000 
1 1 1    0    6   10 o  468.694   11.834  2231.61  110.553 0.000000 0.000000 
1 1 1    0    6   11 o  219.972   5.8720  487.012   25.752 0.000000 0.000000 
1 1 1    0    6   12 o  180.085   5.1631  325.607   18.504 0.000000 0.000000 
1 1 1    0    6   13 o  467.179   11.689  2193.83  109.067 0.000000 0.000000 
1 1 1    0    6   14 o   85.296   6.1271   73.934   10.344 0.000000 0.000000 
1 1 1    0    6   15 o  393.948   8.5435  1587.46   65.176 0.000000 0.000000 
1 1 1    0    6   16 o  168.489   4.7004  284.597   14.742 0.000000 0.000000 
1 1 1    0    6   17 o  309.624   7.0112  959.711   40.473 0.000000 0.000000 
1 1 1    0    6   18 o  267.187   5.1109  716.619   27.266 0.000000 0.000000 
1 1 1    0    6   19 o  293.124   5.4691  862.346   31.995 0.000000 0.000000 
1 1 1    0    6   20 o  260.567   7.1887  684.938   37.328 0.000000 0.000000 
1 1 1    0    6   21 o  130.105   5.0797  168.276   12.493 0.000000 0.000000 
1 1 1    0    6   22 o  117.314   5.3152  132.592   11.834 0.000000 0.000000 
1 1 1    0    6   23 o  204.384   5.4013  416.946   20.775 0.000000 0.000000 
1 1 1    0    6   24 o  321.829   7.3420  1064.56   46.207 0.000000 0.000000 
1 1 1    0    6   25 o  132.129   4.8922  165.810   11.371 0.000000 0.000000 
1 1 1    0    6   26 o   97.159   5.9446   95.413   10.500 0.000000 0.000000 
1 1 1    0    6   27 o   88.234   6.1908   79.634   10.816 0.000000 0.000000 
1 1 1    0    6   28 o   60.179   9.2878   39.101   10.586 0.000000 0.000000 
1 1 1    0    6   29 o   30.030   15.058   14.296   10.980 0.000000 0.000000 
1 1 1    0    6   30 o  124.505   5.3682  160.624   11.303 0.000000 0.000000 
1 1 1    0    6   31 o   40.208   11.764   19.602   10.441 0.000000 0.000000 
1 1 1    0    7    1 o  157.990   3.3235  249.926   10.468 0.000000 0.000000 
1 1 1    0    7    2 o  124.995   3.0697  156.895   7.6520 0.000000 0.000000 
1 1 1    0    7    3 o   39.273   7.0568   18.137   4.7868 0.000000 0.000000 
1 1 1    0    7    4 o   64.668   4.1683   43.088   5.2824 0.000000 0.000000 
1 1 1    0    7    5 o  277.284   5.0367  771.820   27.886 0.000000 0.000000 
1 1 1    0    7    6 o  119.870   4.4270  145.228   10.539 0.000000 0.000000 
1 1 1    0    7    7 o  501.796   10.920  2554.10  103.306 0.000000 0.000000 
1 1 1    0    7    8 o  263.743   4.8798  693.883   25.589 0.000000 0.000000 
1 1 1    0    7    9 o  592.174   10.477  3537.45  123.886 0.000000 0.000000 
1 1 1    0    7   10 o  450.476   9.8774  2017.87   82.065 0.000000 0.000000 
1 1 1    0    7   11 o  206.946   4.9496  438.276   19.749 0.000000 0.000000 
1 1 1    0    7   12 o  241.383   4.5898  583.329   22.097 0.000000 0.000000 
1 1 1    0    7   13 o  171.649   3.8545  295.636   13.181 0.000000 0.000000 
1 1 1    0    7   14 o  241.789   4.6557  586.193   22.470 0.000000 0.000000 
1 1 1    0    7   15 o  263.287   6.0898  680.399   29.575 0.000000 0.000000 
1 1 1    0    7   16 o  177.874   6.1415  316.621   21.644 0.000000 0.000000 
1 1 1    0    7   17 o  305.961   8.0447  943.323   49.063 0.000000 0.000000 
1 1 1    0    7   18 o  239.629   4.7817  576.602   22.876 0.000000 0.000000 
1 1 1    0    7   19 o  178.849   5.9256  322.912   20.989 0.000000 0.000000 
1 1 1    0    7   20 o  167.425   5.0389  289.102   16.146 0.000000 0.000000 
1 1 1    0    7   21 o  205.028   4.4330  422.674   18.136 0.000000 0.000000 
1 1 1    0    7   22 o  246.144   6.0069  603.597   27.517 0.000000 0.000000 
1 1 1    0    7   23 o  258.949   7.2094  677.732   37.026 0.000000 0.000000 
1 1 1    0    7   24 o  244.658   6.0348  600.835   27.712 0.000000 0.000000 
1 1 1    0    7   25 o   87.983   6.3202   79.148   11.006 0.000000 0.000000 
1 1 1    0    7   26 o   78.760   6.6497   63.923   10.331 0.000000 0.000000 
1 1 1    0    7   27 o  110.035   5.6178  112.392   10.082 0.000000 0.000000 
1 1 1    0    7   28 o   76.188   9.8165   67.083   9.9438 0.000000 0.000000 
1 1 1    0    7   29 o   88.173   7.0590   75.333   9.6214 0.000000 0.000000 
1 1 1    0    7   30 o   28.030   11.268   8.8622   8.2351 0.000000 0.000000 
1 1 1    0    7   31 o   11.705   8.5727 -14.6196   10.712 0.000000 0.000000 
1 1 1    0    8    0 o  230.641   6.1560  534.567   28.292 0.000000 0.000000 
1 1 1    0    8    1 o  178.773   3.7122  320.828   13.245 0.000000 0.000000 
1 1 1    0    8    2 o   99.565   4.2221  103.305   7.8351 0.000000 0.000000 
1 1 1    0    8    3 f  379.598   8.3196  1452.59   59.329 0.000000 0.000000 
1 1 1    0    8    4 o  175.936   3.6531  310.280   12.820 0.000000 0.000000 
1 1 1    0    8    5 o   98.466   4.6930   97.672   8.3577 0.000000 0.000000 
1 1 1    0    8    6 o  151.852   4.3327  232.883   12.327 0.000000 0.000000 
1 1 1    0    8    7 o  212.449   5.0959  457.823   20.507 0.000000 0.000000 
1 1 1    0    8    8 o  242.832   4.5962  590.727   22.266 0.000000 0.000000 
1 1 1    0    8    9 o  591.394   10.433  3521.28  123.192 0.000000 0.000000 
1 1 1    0    8   10 o  472.824   8.3952  2244.55   79.198 0.000000 0.000000 
1 1 1    0    8   11 o  220.356   4.3816  487.070   19.272 0.000000 0.000000 
1 1 1    0    8   12 o  222.100   4.4221  494.773   19.605 0.000000 0.000000 
1 1 1    0    8   13 o  206.115   4.2962  426.269   17.668 0.000000 0.000000 
1 1 1    0    8   14 o  205.844   5.4337  426.269   20.871 0.000000 0.000000 
1 1 1    0    8   15 o  301.592   5.7147  912.773   34.400 0.000000 0.000000 
1 1 1    0    8   16 o  374.782   9.6393  1417.30   71.971 0.000000 0.000000 
1 1 1    0    8   17 o  255.365   5.0634  654.341   25.798 0.000000 0.000000 
1 1 1    0    8   18 o  128.052   5.6750  170.774   13.475 0.000000 0.000000 
1 1 1    0    8   19 o  134.771   5.9282  186.016   15.615 0.000000 0.000000 
1 1 1    0    8   20 o  295.173   7.8637  876.743   46.108 0.000000 0.000000 
1 1 1    0    8   21 o  311.198   5.8642  974.842   36.407 0.000000 0.000000 
1 1 1    0    8   23 o   58.628   10.546   58.960   11.214 0.000000 0.000000 
1 1 1    0    8   24 o  101.704   5.0484  106.632   10.064 0.000000 0.000000 
1 1 1    0    8   25 o  120.497   5.6463  156.520   12.569 0.000000 0.000000 
1 1 1    0    8   26 o  158.192   4.8285  256.019   15.024 0.000000 0.000000 
1 1 1    0    8   27 o   71.999   9.3107   48.314   10.093 0.000000 0.000000 
1 1 1    0    8   28 o  109.679   6.6901  117.355   12.197 0.000000 0.000000 
1 1 1    0    8   29 o   47.508   11.455   33.046   9.1055 0.000000 0.000000 
1 1 1    0    9    1 o  162.555   4.5103  261.080   13.552 0.000000 0.000000 
1 1 1    0    9    2 o  205.290   5.0306  417.889   19.154 0.000000 0.000000 
1 1 1    0    9    3 o   70.710   6.0158   51.019   7.9786 0.000000 0.000000 
1 1 1    0    9    4 o  163.602   4.5918  268.607   14.188 0.000000 0.000000 
1 1 1    0    9    5 o  553.512   12.075  3075.09  124.524 0.000000 0.000000 
1 1 1    0    9    6 o  277.873   5.1524  774.718   28.590 0.000000 0.000000 
1 1 1    0    9    7 o  244.409   4.6595  598.872   22.726 0.000000 0.000000 
1 1 1    0    9    8 o  342.029   6.2156  1173.37   42.426 0.000000 0.000000 
1 1 1    0    9    9 f  179.102   4.0958  321.749   14.628 0.000000 0.000000 
1 1 1    0    9   10 o  117.321   4.2286  138.642   9.8566 0.000000 0.000000 
1 1 1    0    9   11 o  226.814   5.5873  526.109   24.416 0.000000 0.000000 
1 1 1    0    9   12 o  144.478   4.3152  209.556   12.400 0.000000 0.000000 
1 1 1    0    9   13 o  268.074   5.2335  718.917   27.946 0.000000 0.000000 
1 1 1    0    9   14 o  216.072   5.7678  468.708   23.215 0.000000 0.000000 
1 1 1    0    9   15 o  146.977   4.6403  218.024   13.553 0.000000 0.000000 
1 1 1    0    9   16 o  297.369   6.8801  884.721   38.590 0.000000 0.000000 
1 1 1    0    9   17 o  293.748   6.8917  838.030   36.923 0.000000 0.000000 
1 1 1    0    9   18 o  190.886   5.8591  374.175   21.055 0.000000 0.000000 
1 1 1    0    9   19 o  123.508   7.8000  156.921   18.907 0.000000 0.000000 
1 1 1    0    9   20 o  270.946   6.7406  729.161   33.724 0.000000 0.000000 
1 1 1    0    9   21 o  211.807   5.5528  452.334   21.994 0.000000 0.000000 
1 1 1    0    9   22 o  140.612   4.4847  201.085   12.490 0.000000 0.000000 
1 1 1    0    9   23 o   96.857   6.5238   99.621   11.146 0.000000 0.000000 
1 1 1    0    9   24 o  119.672   4.9322  148.226   11.516 0.000000 0.000000 
1 1 1    0    9   25 o   36.550   9.8696   20.824   9.1555 0.000000 0.000000 
1 1 1    0    9   26 f  102.046   5.2509  103.884   10.475 0.000000 0.000000 
1 1 1    0    9   27 o  131.148   7.3899  172.147   17.170 0.000000 0.000000 
1 1 1    0    9   28 o   81.647   6.8658   71.358   10.862 0.000000 0.000000 
1 1 1    0    9   29 o  175.684   6.3293  311.302   22.176 0.000000 0.000000 
1 1 1    0   10    0 o  147.229   5.4324  219.084   15.867 0.000000 0.000000 
1 1 1    0   10    1 o  177.097   3.9248  314.769   13.864 0.000000 0.000000 
1 1 1    0   10    2 o  102.877   4.2228  107.200   8.6057 0.000000 0.000000 
1 1 1    0   10    3 o  115.548   3.9315  134.525   9.0203 0.000000 0.000000 
1 1 1    0   10    4 o  116.551   4.9271  138.469   10.653 0.000000 0.000000 
1 1 1    0   10    5 o  215.720   5.3242  468.258   21.596 0.000000 0.000000 
1 1 1    0   10    6 o   97.819   5.7325  100.141   10.436 0.000000 0.000000 
1 1 1    0   10    7 o  292.494   5.4700  858.045   31.936 0.000000 0.000000 
1 1 1    0   10    8 o  227.348   5.6874  528.256   24.849 0.000000 0.000000 
1 1 1    0   10    9 o  294.762   5.5614  871.433   32.717 0.000000 0.000000 
1 1 1    0   10   10 o  219.566   5.7935  491.879   24.003 0.000000 0.000000 
1 1 1    0   10   11 o  408.800   9.1412  1688.45   70.261 0.000000 0.000000 
1 1 1    0   10   12 o  301.430   8.1255  912.550   48.907 0.000000 0.000000 
1 1 1    0   10   13 o  169.932   6.6124  290.560   22.399 0.000000 0.000000 
1 1 1    0   10   14 o  220.586   6.2132  502.494   25.735 0.000000 0.000000 
1 1 1    0   10   15 o  195.191   7.1677  385.016   27.777 0.000000 0.000000 
1 1 1    0   10   16 o  130.938   6.6345  172.354   15.387 0.000000 0.000000 
1 1 1    0   10   17 o  263.003   5.2868  694.499   27.713 0.000000 0.000000 
1 1 1    0   10   18 o  132.936   4.7138  177.835   12.383 0.000000 0.000000 
1 1 1    0   10   19 o  337.859   6.3345  1153.35   42.736 0.000000 0.000000 
1 1 1    0   10   20 o   53.366   10.807   37.146   10.254 0.000000 0.000000 
1 1 1    0   10   21 o  223.067   4.8022  502.033   21.353 0.000000 0.000000 
1 1 1    0   10   22 o  105.519   8.2069  118.122   16.818 0.000000 0.000000 
1 1 1    0   10   23 o  103.323   9.5633  126.088   15.977 0.000000 0.000000 
1 1 1    0   10   24 o  136.856   7.1406  187.788   15.882 0.000000 0.000000 
1 1 1    0   10   25 f  127.148   8.4564  137.690   15.638 0.000000 0.000000 
1 1 1    0   10   26 o   69.781   10.851   64.284   12.085 0.000000 0.000000 
1 1 1    0   10   27 o   46.701   14.385   35.251   14.312 0.000000 0.000000 
1 1 1    0   10   28 o  470.797   12.458  2282.22  115.950 0.000000 0.000000 
1 1 1    0   11    1 o  121.443   5.6072  144.051   12.538 0.000000 0.000000 
1 1 1    0   11    2 o  393.118   7.0947  1551.31   55.673 0.000000 0.000000 
1 1 1    0   11    3 o   81.866   8.7474   80.234   10.887 0.000000 0.000000 
1 1 1    0   11    4 o  120.414   4.4303  146.426   10.599 0.000000 0.000000 
1 1 1    0   11    5 o  101.251   5.0020  104.439   9.9776 0.000000 0.000000 
1 1 1    0   11    6 o  233.157   5.7799  553.290   25.871 0.000000 0.000000 
1 1 1    0   11    7 f  179.403   6.1508  319.030   21.711 0.000000 0.000000 
1 1 1    0   11    8 o  244.007   6.0996  584.313   27.672 0.000000 0.000000 
1 1 1    0   11    9 o  313.061   7.1402  1002.67   43.527 0.000000 0.000000 
1 1 1    0   11   10 o   50.661   12.349   38.722   13.238 0.000000 0.000000 
1 1 1    0   11   11 o  268.874   6.6167  733.446   33.659 0.000000 0.000000 
1 1 1    0   11   13 o   58.808   14.667   42.905   15.961 0.000000 0.000000 
1 1 1    0   11   14 o   86.701   8.0836   81.982   12.150 0.000000 0.000000 
1 1 1    0   11   15 o  141.043   6.9539  201.731   19.270 0.000000 0.000000 
1 1 1    0   11   16 o  138.616   6.4406  194.096   17.773 0.000000 0.000000 
1 1 1    0   11   17 o  140.850   6.6583  209.553   17.036 0.000000 0.000000 
1 1 1    0   11   18 o  160.565   6.9747  260.414   22.307 0.000000 0.000000 
1 1 1    0   11   19 o   86.244   6.4665   77.923   10.807 0.000000 0.000000 
1 1 1    0   11   20 o   48.235   11.648   36.311   12.486 0.000000 0.000000 
1 1 1    0   11   21 o  137.782   6.7540  202.532   17.099 0.000000 0.000000 
1 1 1    0   11   22 o   81.430   9.0246   76.925   12.281 0.000000 0.000000 
1 1 1    0   11   23 o  121.243   8.3698  153.885   16.726 0.000000 0.000000 
1 1 1    0   11   24 o  102.775   15.339  136.990   23.300 0.000000 0.000000 
1 1 1    0   11   25 o   76.410   12.258   64.621   16.207 0.000000 0.000000 
1 1 1    0   11   26 o   48.901   14.675   38.851   17.284 0.000000 0.000000 
1 1 1    0   11   27 o  159.391   5.8677  245.214   17.849 0.000000 0.000000 
1 1 1    0   12    0 o  180.704   6.4079  329.339   23.030 0.000000 0.000000 
1 1 1    0   12    1 o  107.624   6.9393  122.015   13.873 0.000000 0.000000 
1 1 1    0   12    2 f  289.604   5.5939  841.883   32.334 0.000000 0.000000 
1 1 1    0   12    3 o   57.667   15.905   40.192   15.842 0.000000 0.000000 
1 1 1    0   12    4 o   82.682   8.3263   73.624   12.504 0.000000 0.000000 
1 1 1    0   12    5 o  125.739   4.9324  158.737   12.279 0.000000 0.000000 
1 1 1    0   12    6 o   85.211   6.9456   76.472   11.328 0.000000 0.000000 
1 1 1    0   12    7 o  170.671   5.8756  299.544   18.820 0.000000 0.000000 
1 1 1    0   12    8 o  241.801   7.1679  590.468   34.509 0.000000 0.000000 
1 1 1    0   12    9 o  282.375   6.6470  814.863   36.457 0.000000 0.000000 
1 1 1    0   12   10 o  128.361   5.1094  167.339   12.975 0.000000 0.000000 
1 1 1    0   12   11 o   84.193   6.3218   74.105   10.337 0.000000 0.000000 
1 1 1    0   12   12 o  118.756   4.9417  143.373   11.615 0.000000 0.000000 
1 1 1    0   12   13 o   28.925   10.789   10.102   9.9136 0.000000 0.000000 
1 1 1    0   12   14 o  125.491   4.7968  159.687   11.857 0.000000 0.000000 
1 1 1    0   12   15 o  127.888   4.8184  166.663   12.153 0.000000 0.000000 
1 1 1    0   12   16 o   81.348   9.7736   69.566   15.518 0.000000 0.000000 
1 1 1    0   12   17 f  126.674   4.8224  163.539   12.084 0.000000 0.000000 
1 1 1    0   12   18 o  112.617   5.7590  128.541   12.691 0.000000 0.000000 
1 1 1    0   12   19 o   58.295   11.507   53.601   13.796 0.000000 0.000000 
1 1 1    0   12   20 o  147.786   6.9338  223.227   19.605 0.000000 0.000000 
1 1 1    0   12   21 f  111.420   8.5572  131.680   17.576 0.000000 0.000000 
1 1 1    0   12   22 o   85.475   16.087   86.508   24.461 0.000000 0.000000 
1 1 1    0   12   23 o   33.488   14.296   10.897   15.572 0.000000 0.000000 
1 1 1    0   12   24 o   35.929   12.771   18.579   13.206 0.000000 0.000000 
1 1 1    0   12   26 o   70.688   16.111  177.628   28.240 0.000000 0.000000 
1 1 1    0   13    1 o   64.689   12.318   59.503   12.928 0.000000 0.000000 
1 1 1    0   13    3 f   68.963   13.374   57.652   15.848 0.000000 0.000000 
1 1 1    0   13    4 o  154.427   4.6979  239.648   14.424 0.000000 0.000000 
1 1 1    0   13    5 o   75.661   7.6037   60.439   11.014 0.000000 0.000000 
1 1 1    0   13    6 o  138.086   5.0479  192.854   13.830 0.000000 0.000000 
1 1 1    0   13    7 o  306.568   5.8486  946.032   35.801 0.000000 0.000000 
1 1 1    0   13    8 o   27.224   11.386   8.5420   10.700 0.000000 0.000000 
1 1 1    0   13    9 o  119.849   5.1558  145.887   12.242 0.000000 0.000000 
1 1 1    0   13   10 o   67.228   9.4885   50.981   11.155 0.000000 0.000000 
1 1 1    0   13   11 o   62.499   9.5481   44.911   10.365 0.000000 0.000000 
1 1 1    0   13   12 o   65.322   8.4367   46.752   9.9515 0.000000 0.000000 
1 1 1    0   13   13 o   55.253   10.406   37.475   9.9476 0.000000 0.000000 
1 1 1    0   13   14 o   66.372   9.1184   51.542   10.215 0.000000 0.000000 
1 1 1    0   13   15 o   30.881   11.611   14.244   9.5044 0.000000 0.000000 
1 1 1    0   13   16 o  126.503   5.4273  161.922   13.498 0.000000 0.000000 
1 1 1    0   13   17 o  169.581   6.4107  296.132   21.418 0.000000 0.000000 
1 1 1    0   13   18 o   29.901   12.129   11.994   11.501 0.000000 0.000000 
1 1 1    0   13   19 o   83.874   9.3109   80.777   13.109 0.000000 0.000000 
1 1 1    0   13   20 o   83.676   10.985   75.003   17.882 0.000000 0.000000 
1 1 1    0   13   21 o   37.937   13.023   22.122   12.564 0.000000 0.000000 
1 1 1    0   13   22 o   26.970   11.731   8.9074   12.000 0.000000 0.000000 
1 1 1    0   13   23 o   36.999   14.760   22.921   15.595 0.000000 0.000000 
1 1 1    0   14    0 o  175.239   6.4219  305.172   22.168 0.000000 0.000000 
1 1 1    0   14    1 f  197.094   5.6270  388.414   20.432 0.000000 0.000000 
1 1 1    0   14    2 o   58.014   10.372   40.459   10.321 0.000000 0.000000 
1 1 1    0   14    3 o  175.104   5.4321  306.514   17.642 0.000000 0.000000 
1 1 1    0   14    4 o  120.833   6.1282  150.072   13.641 0.000000 0.000000 
1 1 1    0   14    5 o  164.629   5.4513  269.725   16.376 0.000000 0.000000 
1 1 1    0   14    6 o   22.127   9.8386   1.3929   9.4873 0.000000 0.000000 
1 1 1    0   14    7 o   58.597   10.064   40.645   10.134 0.000000 0.000000 
1 1 1    0   14    8 o  112.722   6.9930  133.235   14.566 0.000000 0.000000 
1 1 1    0   14    9 o   98.147   8.3288  104.605   14.177 0.000000 0.000000 
1 1 1    0   14   10 o   68.727   12.222   63.011   13.438 0.000000 0.000000 
1 1 1    0   14   11 o   47.011   13.780   32.704   12.779 0.000000 0.000000 
1 1 1    0   14   12 o   81.679   7.6743   69.624   12.042 0.000000 0.000000 
1 1 1    0   14   13 f  200.020   5.5080  408.296   21.364 0.000000 0.000000 
1 1 1    0   14   14 o  131.409   5.0941  174.012   13.232 0.000000 0.000000 
1 1 1    0   14   15 o   51.548   11.581   36.649   11.119 0.000000 0.000000 
1 1 1    0   14   16 o   73.288   10.500   57.156   12.602 0.000000 0.000000 
1 1 1    0   14   17 o   45.233   11.344   30.088   11.076 0.000000 0.000000 
1 1 1    0   14   18 o   26.924   11.660   3.1161   13.004 0.000000 0.000000 
1 1 1    0   14   20 o   34.060   13.306   19.204   13.087 0.000000 0.000000 
1 1 1    0   14   21 f   24.465   11.299   0.4563   12.693 0.000000 0.000000 
1 1 1    0   14   22 o   22.309   15.517 -15.2672   23.446 0.000000 0.000000 
1 1 1    0   15    1 o   39.976   13.100   23.983   11.568 0.000000 0.000000 
1 1 1    0   15    2 o   88.476   5.9831   77.841   10.200 0.000000 0.000000 
1 1 1    0   15    3 o  128.577   6.7142  169.290   17.050 0.000000 0.000000 
1 1 1    0   15    4 o   66.993   10.123   53.491   11.483 0.000000 0.000000 
1 1 1    0   15    5 o   35.764   12.059   19.086   9.6733 0.000000 0.000000 
1 1 1    0   15    6 o   29.119   11.265   9.8139   9.5802 0.000000 0.000000 
1 1 1    0   15    7 o   26.691   10.849   9.0500   9.7228 0.000000 0.000000 
1 1 1    0   15    8 o  122.859   5.5959  154.624   13.564 0.000000 0.000000 
1 1 1    0   15    9 o   36.754   12.659   20.609   11.257 0.000000 0.000000 
1 1 1    0   15   10 o   19.233   9.7622 -28.4453   16.017 0.000000 0.000000 
1 1 1    0   15   11 o  123.206   7.2613  154.824   17.763 0.000000 0.000000 
1 1 1    0   15   12 f   28.042   16.328   10.893   14.838 0.000000 0.000000 
1 1 1    0   15   13 o   76.355   8.8161   65.215   12.035 0.000000 0.000000 
1 1 1    0   15   14 o   25.632   11.423   5.4786   12.047 0.000000 0.000000 
1 1 1    0   15   15 o   35.952   13.593   21.150   13.437 0.000000 0.000000 
1 1 1    0   15   16 o  230.475   8.1202  541.326   37.230 0.000000 0.000000 
1 1 1    0   15   17 o   16.237   8.5754 -53.0972   16.573 0.000000 0.000000 
1 1 1    0   15   18 o   24.827   17.239 -12.5295   27.879 0.000000 0.000000 
1 1 1    0   15   19 o   25.781   12.362  -4.2693   17.982 0.000000 0.000000 
1 1 1    0   15   20 f  109.690   13.247  129.041   28.356 0.000000 0.000000 
1 1 1    0   16    0 o  125.944   7.1703  163.154   17.703 0.000000 0.000000 
1 1 1    0   16    1 f  144.877   4.7210  211.900   13.552 0.000000 0.000000 
1 1 1    0   16    2 o   57.699   10.953   45.408   11.985 0.000000 0.000000 
1 1 1    0   16    3 o   34.112   12.586   15.373   11.660 0.000000 0.000000 
1 1 1    0   16    4 o   52.405   12.727   36.508   11.809 0.000000 0.000000 
1 1 1    0   16    5 o   66.496   8.9897   48.975   10.650 0.000000 0.000000 
1 1 1    0   16    6 o   23.167   10.836  -0.4361   11.839 0.000000 0.000000 
1 1 1    0   16    7 o   29.527   12.725   6.5559   11.823 0.000000 0.000000 
1 1 1    0   16    8 o   78.955   7.3547   65.085   11.041 0.000000 0.000000 
1 1 1    0   16    9 o   56.244   11.094   39.162   10.565 0.000000 0.000000 
1 1 1    0   16   10 o  126.050   5.3383  161.421   13.271 0.000000 0.000000 
1 1 1    0   16   11 o  102.617   6.0175  110.155   12.183 0.000000 0.000000 
1 1 1    0   16   12 o   66.771   12.612   66.775   15.056 0.000000 0.000000 
1 1 1    0   16   13 o  159.904   7.5141  262.355   23.788 0.000000 0.000000 
1 1 1    0   16   15 o   29.816   12.384   13.070   12.399 0.000000 0.000000 
1 1 1    0   16   16 o   70.932   13.606   71.422   15.606 0.000000 0.000000 
1 1 1    0   16   18 o   41.973   14.792   18.136   18.951 0.000000 0.000000 
1 1 1    0   17    1 o  156.437   6.6800  255.173   20.271 0.000000 0.000000 
1 1 1    0   17    2 o   96.408   10.960  103.303   19.751 0.000000 0.000000 
1 1 1    0   17    3 o   29.173   12.905   8.8828   14.864 0.000000 0.000000 
1 1 1    0   17    4 o  179.723   5.1963  328.878   18.541 0.000000 0.000000 
1 1 1    0   17    5 o  172.785   5.2563  305.256   18.042 0.000000 0.000000 
1 1 1    0   17    6 o   47.558   14.397   30.624   15.148 0.000000 0.000000 
1 1 1    0   17    7 o   65.270   12.068   51.815   13.673 0.000000 0.000000 
1 1 1    0   17    8 o  124.742   5.9329  158.528   14.640 0.000000 0.000000 
1 1 1    0   17    9 o   73.348   14.219   68.189   15.987 0.000000 0.000000 
1 1 1    0   17   10 o   56.988   16.037   48.123   15.936 0.000000 0.000000 
1 1 1    0   17   11 o  137.401   5.8682  195.473   16.001 0.000000 0.000000 
1 1 1    0   17   12 o   74.004   10.079   62.801   13.258 0.000000 0.000000 
1 1 1    0   17   13 o   55.435   13.426   43.818   13.573 0.000000 0.000000 
1 1 1    0   17   14 o   17.341   8.9040 -10.3169   14.567 0.000000 0.000000 
1 1 1    0   17   15 o  162.226   10.022  275.247   31.033 0.000000 0.000000 
1 1 1    0   18    0 f   52.530   18.532   42.764   23.272 0.000000 0.000000 
1 1 1    0   18    1 o   91.213   10.281   93.597   16.947 0.000000 0.000000 
1 1 1    0   18    2 o   61.100   16.340   55.894   18.961 0.000000 0.000000 
1 1 1    0   18    3 o   57.356   17.065   51.676   19.638 0.000000 0.000000 
1 1 1    0   18    4 o   40.957   15.860   29.656   18.278 0.000000 0.000000 
1 1 1    0   18    5 o   64.027   15.103   60.413   17.774 0.000000 0.000000 
1 1 1    0   18    6 o   25.360   11.959  -2.7538   15.471 0.000000 0.000000 
1 1 1    0   18    7 o   56.248   15.290   48.821   16.483 0.000000 0.000000 
1 1 1    0   18    8 o   24.877   12.142  -9.6496   17.988 0.000000 0.000000 
1 1 1    0   18    9 o   24.540   11.796   12.212   17.565 0.000000 0.000000 
1 1 1    0   18   10 o   28.192   13.267  -2.2220   18.732 0.000000 0.000000 
1 1 1    0   18   11 o  132.160   11.330  195.301   26.401 0.000000 0.000000 
1 1 1    0   19    1 o   81.808   11.052   74.523   16.159 0.000000 0.000000 
1 1 1    0   19    2 o   61.254   19.293   58.645   25.473 0.000000 0.000000 
1 1 1    0   19    3 o  150.214   9.6264  231.336   28.677 0.000000 0.000000 
1 1 1    0   19    4 o   99.221   12.952  120.084   21.086 0.000000 0.000000 
1 1 1    0   19    5 o   17.427   9.0492   22.558   15.882 0.000000 0.000000 
1 1 1    1    0    1 o  292.988   10.309  864.547   60.245 0.000000 0.000000 
1 1 1    1    0    2 o   66.495   1.9720   44.393   2.6103 0.000000 0.000000 
1 1 1    1    0    3 o   80.604   1.9858   65.412   2.9792 0.000000 0.000000 
1 1 1    1    0    4 o  169.435   3.0082  287.700   10.178 0.000000 0.000000 
1 1 1    1    0    5 o  358.257   6.2748  1287.60   44.888 0.000000 0.000000 
1 1 1    1    0    6 o  371.004   6.5010  1380.66   48.165 0.000000 0.000000 
1 1 1    1    0    7 o  616.443   10.797  3816.94  132.869 0.000000 0.000000 
1 1 1    1    0    8 o  324.231   5.7019  1053.94   36.918 0.000000 0.000000 
1 1 1    1    0    9 o  561.645   9.8448  3171.18  110.435 0.000000 0.000000 
1 1 1    1    0   10 o  331.860   7.2131  1101.30   44.672 0.000000 0.000000 
1 1 1    1    0   11 o  113.961   2.9994  130.618   6.5667 0.000000 0.000000 
1 1 1    1    0   12 o  450.916   9.7242  2070.62   83.542 0.000000 0.000000 
1 1 1    1    0   13 o  376.325   6.6536  1424.30   50.007 0.000000 0.000000 
1 1 1    1    0   14 o  188.863   5.0799  357.862   19.157 0.000000 0.000000 
1 1 1    1    0   15 o  295.397   7.4947  875.959   44.215 0.000000 0.000000 
1 1 1    1    0   16 o  361.095   6.4323  1309.50   46.388 0.000000 0.000000 
1 1 1    1    0   17 o  290.174   6.5353  840.174   35.204 0.000000 0.000000 
1 1 1    1    0   18 o  587.014   10.351  3467.13  121.287 0.000000 0.000000 
1 1 1    1    0   19 o  460.513   8.1638  2131.75   75.084 0.000000 0.000000 
1 1 1    1    0   20 o  455.267   8.0895  2081.13   73.499 0.000000 0.000000 
1 1 1    1    0   21 o  467.537   10.083  2241.32   91.535 0.000000 0.000000 
1 1 1    1    0   22 o  120.242   4.1886  145.051   9.9906 0.000000 0.000000 
1 1 1    1    0   23 o  234.260   4.7248  550.841   22.085 0.000000 0.000000 
1 1 1    1    0   24 o  186.814   4.2908  351.069   15.989 0.000000 0.000000 
1 1 1    1    0   25 o  259.030   5.0527  675.408   26.129 0.000000 0.000000 
1 1 1    1    0   26 o  238.967   5.7186  583.049   26.491 0.000000 0.000000 
1 1 1    1    0   27 o  187.612   4.3578  355.037   16.309 0.000000 0.000000 
1 1 1    1    0   28 o  154.264   5.8814  240.480   18.088 0.000000 0.000000 
1 1 1    1    0   29 o  126.967   7.7431  165.093   19.511 0.000000 0.000000 
1 1 1    1    0   30 o  117.130   5.6870  136.366   12.442 0.000000 0.000000 
1 1 1    1    0   31 o  107.921   7.7832  128.923   16.454 0.000000 0.000000 
1 1 1    1    0   32 o  123.995   6.4909  160.370   15.870 0.000000 0.000000 
1 1 1    1    1    0 o   64.242   1.3272   41.358   1.7015 0.000000 0.000000 
1 1 1    1    1    1 o  323.435   4.0022  1047.33   25.874 -6.827057 8.004492 
1 1 1    1    1    2 o  382.563   5.1062  1466.25   38.601 -2.656342 10.21233 
1 1 1    1    1    3 o  404.450   5.3960  1642.41   43.265 3.084747 10.79196 
1 1 1    1    1    4 o  331.224   4.4527  1096.69   29.098 -4.395966 8.905312 
1 1 1    1    1    5 o  437.243   5.8577  1921.29   50.896 9.092346 11.71533 
1 1 1    1    1    6 o  242.721   3.2794  588.083   15.713 3.633041 6.558887 
1 1 1    1    1    7 o  648.986   8.2729  4234.12  104.230 -4.816467 16.54571 
1 1 1    1    1    8 o  615.021   9.9230  3764.62  117.901 23.44604 19.84602 
1 1 1    1    1    9 o  349.653   5.5567  1203.13   38.489 -61.36334 11.11343 
1 1 1    1    1   10 o  370.336   5.3258  1374.56   39.430 -6.149292 10.65159 
1 1 1    1    1   11 o  501.409   6.7508  2527.83   66.789 -5.335876 13.50160 
1 1 1    1    1   12 o  251.249   4.5298  630.688   22.681 12.12373 9.059576 
1 1 1    1    1   13 o  281.174   5.0491  775.136   27.883 -33.77243 10.09817 
1 1 1    1    1   14 o  443.175   5.9877  1963.98   52.091 -13.83823 11.97545 
1 1 1    1    1   15 o  413.943   5.6003  1706.17   45.396 -16.10483 11.20056 
1 1 1    1    1   16 o  330.072   8.2988  1093.66   54.784      ?      ? 
1 1 1    1    1   17 o  415.558   5.6110  1730.61   46.113 -2.011047 11.22209 
1 1 1    1    1   18 o  378.760   5.1416  1442.49   38.740 12.27643 10.28327 
1 1 1    1    1   19 o  468.455   7.6174  2178.04   68.757 21.89670 15.23482 
1 1 1    1    1   20 o  753.244   9.3972  5723.60  141.566 1.286743 18.79447 
1 1 1    1    1   21 o  423.517   7.7164  1469.28   55.421 150.5801 15.43274 
1 1 1    1    1   22 o  169.006   4.0308  231.490   12.216 82.42789 8.061633 
1 1 1    1    1   23 o  277.367   5.2773  774.232   29.266 4.973358 10.55460 
1 1 1    1    1   24 o  294.477   4.5078  867.200   26.444 17.09586 9.015611 
1 1 1    1    1   25 o  180.401   3.5588  309.964   11.930 24.13228 7.117547 
1 1 1    1    1   26 o  279.115   6.3396  742.570   25.853 22.18436 12.67925 
1 1 1    1    1   27 o   83.406   5.1573   70.687   8.5968 -2.411041 10.31463 
1 1 1    1    1   28 o  146.885   7.0561  219.617   20.729      ?      ? 
1 1 1    1    1   29 o  161.407   3.8401  262.318   12.336 9.551239 7.680203 
1 1 1    1    1   30 o  106.813   5.1926  119.268   9.4668 5.813438 10.38516 
1 1 1    1    1   31 o  109.517   5.7061  123.841   12.498      ?      ? 
1 1 1    1    1   32 o  108.786   3.6848  120.169   7.8298 -2.632271 7.369568 
1 1 1    1    1   33 o  169.888   6.5926  292.219   22.400      ?      ? 
1 1 1    1    2    0 o  114.551   3.0379  131.250   6.9143 0.000000 0.000000 
1 1 1    1    2    1 o  332.573   4.1119  1107.93   27.348 2.071960 8.223704 
1 1 1    1    2    2 o  589.957   7.2950  3498.82   86.070 -3.252686 14.58991 
1 1 1    1    2    3 f  334.600   4.1418  1121.15   27.713 -3.457581 8.283578 
1 1 1    1    2    4 o  312.671   3.8722  978.814   24.214 0.1343689 7.744331 
1 1 1    1    2    5 o  359.117   4.4441  1291.28   31.918 1.682617 8.888175 
1 1 1    1    2    6 o  447.407   5.5443  2004.85   49.606 4.446350 11.08867 
1 1 1    1    2    7 o  341.660   6.0067  1169.51   41.041 -3.032501 12.01349 
1 1 1    1    2    8 o  203.698   5.2058  415.303   21.208      ?      ? 
1 1 1    1    2    9 o  355.476   6.2681  1213.62   43.056 -56.47302 12.53612 
1 1 1    1    2   10 o  384.227   9.5530  1484.63   73.411      ?      ? 
1 1 1    1    2   11 o  438.253   5.8828  1928.61   51.455 -39.90500 11.76569 
1 1 1    1    2   12 o  251.945   3.9776  615.219   18.100 -19.08774 7.955290 
1 1 1    1    2   13 o  179.335   2.8116  274.552   8.9955 -58.56268 5.623266 
1 1 1    1    2   14 o  267.425   4.4899  653.307   21.317 -50.70612 8.979726 
1 1 1    1    2   15 o  494.593   7.1457  2416.88   69.685 -50.77472 14.29132 
1 1 1    1    2   16 o  292.978   3.7398  857.656   21.875 -10.35669 7.479599 
1 1 1    1    2   17 o  219.784   3.7304  432.061   15.472 77.19884 7.460818 
1 1 1    1    2   18 o  196.343   3.5007  377.481   13.575 -41.56354 7.001365 
1 1 1    1    2   19 o  244.148   4.0305  572.122   17.806 23.22316 8.061026 
1 1 1    1    2   20 o  291.815   7.6226  854.296   44.487      ?      ? 
1 1 1    1    2   21 o  404.303   8.3357  1642.26   67.403      ?      ? 
1 1 1    1    2   22 o  274.950   4.2263  755.355   23.188 -15.40622 8.452538 
1 1 1    1    2   23 o  214.578   3.9915  457.100   16.729 10.37544 7.982984 
1 1 1    1    2   24 o  175.160   4.3128  329.513   13.235 -27.26901 8.625503 
1 1 1    1    2   25 o   86.829   5.5097   75.766   9.5680      ?      ? 
1 1 1    1    2   26 o  206.133   3.6050  426.703   14.856 7.701263 7.209924 
1 1 1    1    2   27 o   87.590   3.8168   78.505   6.4515 5.388191 7.633582 
1 1 1    1    2   28 o  168.643   3.1516  283.909   10.364 -6.409027 6.303293 
1 1 1    1    2   29 f  113.320   3.5300  129.484   7.9020 -2.269798 7.060005 
1 1 1    1    2   30 o  116.576   5.3098  136.901   12.380      ?      ? 
1 1 1    1    2   31 o   93.648   3.7270   87.683   6.9221 -13.81728 7.453917 
1 1 1    1    2   32 o  179.238   4.1177  272.554   13.054 67.22606 8.235484 
1 1 1    1    2   33 o   51.412   6.3712   36.128   8.9574 58.65945 12.74249 
1 1 1    1    3    0 o   19.261   5.2362   5.0471   2.0638 0.000000 0.000000 
1 1 1    1    3    1 o   66.056   2.1396   43.376   2.8160 -7.802601 4.279145 
1 1 1    1    3    2 o  397.828   4.9218  1585.54   39.160 1.118286 9.843594 
1 1 1    1    3    3 o  487.121   6.0230  2378.17   58.669 -5.393341 12.04592 
1 1 1    1    3    4 o  544.352   7.7696  2973.75   84.587 0.6776733 15.53919 
1 1 1    1    3    5 o  581.602   8.3050  3392.69   96.547 -12.55414 16.61001 
1 1 1    1    3    6 o  340.043   4.2341  1157.12   28.788 4.330231 8.468102 
1 1 1    1    3    7 o  451.669   6.0439  2037.24   53.764 9.444977 12.08774 
1 1 1    1    3    8 o  524.799   8.4112  2772.73   86.619 3.296326 16.82245 
1 1 1    1    3    9 o  261.224   3.7951  682.795   19.812 6.099091 7.590254 
1 1 1    1    3   10 o  410.670   5.1174  1693.73   42.031 0.6336975 10.23484 
1 1 1    1    3   11 o  187.440   3.5350  314.464   12.263 52.36682 7.069929 
1 1 1    1    3   12 o  237.204   3.6720  572.738   16.905 -16.94305 7.344072 
1 1 1    1    3   13 o  473.518   9.2794  2338.95   73.318 28.53888 18.55872 
1 1 1    1    3   14 o  175.887   2.6815  308.290   9.2387 -3.798279 5.363096 
1 1 1    1    3   15 o  188.090   2.6045  354.056   9.7947 -0.2938232 5.208901 
1 1 1    1    3   16 o  333.610   4.2155  1113.01   28.089 -10.01822 8.431072 
1 1 1    1    3   17 o  444.173   5.9832  1984.22   52.840 11.20914 11.96635 
1 1 1    1    3   18 o  274.339   5.0563  716.870   26.721 -49.25858 10.11269 
1 1 1    1    3   19 o  347.044   5.8681  1046.18   34.642 87.36859 11.73612 
1 1 1    1    3   20 o  271.642   4.1648  716.539   22.119 -38.55060 8.329639 
1 1 1    1    3   21 o  383.110   5.2481  1468.26   39.627 8.218964 10.49617 
1 1 1    1    3   22 o  310.870   5.7451  968.961   35.720      ?      ? 
1 1 1    1    3   23 o  228.786   4.4293  350.269   14.680 118.4771 8.858675 
1 1 1    1    3   24 o  101.897   3.6166  103.361   7.3158 -6.894768 7.233217 
1 1 1    1    3   25 o  208.669   3.8408  440.172   15.107 -3.568100 7.681691 
1 1 1    1    3   26 o  208.461   3.3097  436.509   13.750 24.05472 6.619369 
1 1 1    1    3   27 o  134.898   3.2734  169.615   8.4314 55.30992 6.546705 
1 1 1    1    3   28 o  181.186   2.9509  330.520   10.684 -0.8876801 5.901701 
1 1 1    1    3   29 o  114.779   3.4579  134.060   7.8469 -4.639023 6.915819 
1 1 1    1    3   30 o  460.453   8.6035  1928.57   72.464 126.0607 17.20698 
1 1 1    1    3   31 o  150.955   3.6776  211.796   10.055 -29.96413 7.355120 
1 1 1    1    3   32 o   90.050   4.1583   91.313   6.8990 16.26830 8.316518 
1 1 1    1    4    0 o  220.486   5.6534  476.915   24.410 0.000000 0.000000 
1 1 1    1    4    1 o  459.167   6.9986  2099.91   60.044 -8.122894 13.99720 
1 1 1    1    4    2 o  380.697   5.1082  1452.56   38.548 2.465271 10.21634 
1 1 1    1    4    3 o  234.406   3.8049  549.877   17.769 27.44882 7.609812 
1 1 1    1    4    4 o  285.247   5.0688  778.782   27.923 46.70651 10.13757 
1 1 1    1    4    5 o  276.380   3.7603  763.506   20.528 -2.324005 7.520677 
1 1 1    1    4    6 o  252.965   3.4632  641.223   17.373 -2.317245 6.926373 
1 1 1    1    4    7 o  500.239   6.6994  2518.97   66.691 15.17969 13.39877 
1 1 1    1    4    8 o  239.386   3.3203  570.485   15.610 -7.133667 6.640522 
1 1 1    1    4    9 o  139.872   2.9391  195.688   8.2172 -5.322006 5.878233 
1 1 1    1    4   10 o  280.186   4.9995  788.213   28.012 3.189148 9.999025 
1 1 1    1    4   11 o  143.221   2.9562  205.316   8.4646 5.349762 5.912341 
1 1 1    1    4   12 o  162.925   2.6726  265.045   8.6950 -7.724045 5.345234 
1 1 1    1    4   13 o  298.823   4.3850  895.231   26.196 5.910980 8.770022 
1 1 1    1    4   14 o  214.651   4.0687  461.616   17.465 -3.795120 8.137342 
1 1 1    1    4   15 o  437.335   7.9307  1431.83   54.694 -188.1599 15.86137 
1 1 1    1    4   16 o  507.591   7.7686  2581.91   74.041 -3.842346 15.53723 
1 1 1    1    4   17 o  194.127   3.5011  378.684   13.514 24.43927 7.002119 
1 1 1    1    4   18 o  598.533   9.5644  3618.46  114.068 -65.78680 19.12881 
1 1 1    1    4   19 o  446.952   7.9967  2010.81   71.472 6.002533 15.99331 
1 1 1    1    4   20 o  383.383   6.3332  1469.84   47.210 8.068909 12.66642 
1 1 1    1    4   21 o  394.869   5.4091  1572.28   42.540 17.46191 10.81820 
1 1 1    1    4   22 o  291.482   4.1935  844.290   23.902 13.29437 8.386979 
1 1 1    1    4   23 o  222.920   3.6720  496.520   16.330 -13.83929 7.344090 
1 1 1    1    4   24 o  215.992   3.8727  434.718   14.907 33.56226 7.745380 
1 1 1    1    4   25 o  238.618   4.8827  573.298   23.281 -8.617081 9.765374 
1 1 1    1    4   26 o  164.106   3.9608  178.439   10.468 -131.6981 7.921657 
1 1 1    1    4   27 o  169.102   3.3542  209.895   9.5858 -96.14487 6.708467 
1 1 1    1    4   28 o  107.366   3.0767  116.257   6.5944 0.5665970 6.153318 
1 1 1    1    4   29 o   72.464   4.6160   51.797   6.5386 -16.18876 9.232063 
1 1 1    1    4   30 o   52.074   7.7367   29.283   7.6792 -7.588116 15.47331 
1 1 1    1    4   31 f  131.077   3.1254  157.223   7.7613 -42.24787 6.250806 
1 1 1    1    5    0 o  159.050   3.8579  257.497   11.750 0.000000 0.000000 
1 1 1    1    5    1 o  441.427   6.3318  1951.84   55.857 10.41553 12.66361 
1 1 1    1    5    2 o  450.850   6.0393  2038.93   53.944 -1.977020 12.07858 
1 1 1    1    5    3 o   87.043   2.2710   75.645   3.9484 -6.122749 4.542022 
1 1 1    1    5    4 f  106.626   2.1165  114.513   4.4661 -5.787346 4.233091 
1 1 1    1    5    5 o  377.875   5.0817  1435.39   38.229 -13.03958 10.16336 
1 1 1    1    5    6 o  379.320   5.4702  1443.90   41.496 -2.304474 10.94031 
1 1 1    1    5    7 o  292.047   4.2737  854.694   24.946 6.707764 8.547323 
1 1 1    1    5    8 o  257.838   3.8189  666.315   19.693 0.1756897 7.637821 
1 1 1    1    5    9 o  139.339   2.5078  194.402   6.9878 -2.526749 5.015585 
1 1 1    1    5   10 o  188.064   2.5618  354.057   9.6356 -0.6291504 5.123615 
1 1 1    1    5   11 o  155.167   3.2558  240.819   10.083 3.684326 6.511652 
1 1 1    1    5   12 o  271.323   3.4805  737.562   18.887 0.1252441 6.960903 
1 1 1    1    5   13 o  239.682   4.1305  522.368   17.675 47.93739 8.261077 
1 1 1    1    5   14 o  454.019   8.0366  2010.11   71.201 -61.24020 16.07318 
1 1 1    1    5   15 o  356.373   8.4472  911.207   39.729 142.4175 16.89437 
1 1 1    1    5   16 o  423.810   9.3565  1766.55   72.170 23.63269 18.71308 
1 1 1    1    5   17 o  193.949   4.0863  351.323   15.239 -48.62436 8.172505 
1 1 1    1    5   18 o  139.017   5.5761  193.546   15.503      ?      ? 
1 1 1    1    5   19 o  190.538   4.0908  358.873   15.476 -22.42136 8.181566 
1 1 1    1    5   20 o  222.532   3.6770  445.485   15.310 64.84114 7.353969 
1 1 1    1    5   21 f  264.962   4.1533  647.412   20.748 -62.63712 8.306581 
1 1 1    1    5   22 o  196.816   4.1984  376.583   16.173 -30.10120 8.396750 
1 1 1    1    5   23 o  370.760   5.5146  1371.39   40.503 31.08960 11.02918 
1 1 1    1    5   24 o  403.568   6.9032  1441.43   47.420 97.72455 13.80649 
1 1 1    1    5   25 o  189.421   3.2982  362.915   12.417 16.62541 6.596437 
1 1 1    1    5   26 o  125.964   3.3700  144.464   8.0383 -53.98785 6.740037 
1 1 1    1    5   27 o  124.872   3.6760  142.139   8.7184 44.65769 7.351967 
1 1 1    1    5   28 o   68.383   5.3025   49.367   6.9095 24.77202 10.60502 
1 1 1    1    5   29 o   20.620   7.2069 -35.5401   10.583 -7.275959 14.41388 
1 1 1    1    5   30 o   76.324   4.8668   59.761   7.3948 1.412216 9.733538 
1 1 1    1    5   31 o  102.579   3.6541  107.416   7.4824 -7.932465 7.308156 
1 1 1    1    5   32 o  133.340   4.6792  175.025   12.114 -45.39954 9.358400 
1 1 1    1    6    0 o  120.459   4.1308  145.773   9.8841 0.000000 0.000000 
1 1 1    1    6    1 o  278.002   3.8245  776.130   21.135 7.065125 7.648994 
1 1 1    1    6    2 o   93.632   2.9512   87.729   5.5240 4.071205 5.902491 
1 1 1    1    6    3 o  254.128   3.2661  646.794   16.600 -0.7628937 6.532154 
1 1 1    1    6    4 o  279.693   3.5529  783.849   19.873 1.579987 7.105721 
1 1 1    1    6    5 o  126.285   3.0444  149.505   7.4284 -33.21829 6.088807 
1 1 1    1    6    6 o  177.503   2.6688  315.675   9.3790 0.9992065 5.337556 
1 1 1    1    6    7 o  340.698   4.9609  1165.45   33.786 -6.369843 9.921835 
1 1 1    1    6    8 o  227.029   3.2150  517.332   14.497 3.992661 6.430047 
1 1 1    1    6    9 o  388.740   4.8772  1516.97   37.918 -2.692871 9.754446 
1 1 1    1    6   10 o  141.312   3.3021  200.383   9.3154 -4.150436 6.604276 
1 1 1    1    6   11 o  319.005   4.6637  1019.38   29.731 -8.138916 9.327403 
1 1 1    1    6   12 o  277.429   5.0651  771.789   28.098 4.734650 10.13012 
1 1 1    1    6   13 o  339.025   4.6505  1146.69   31.037 8.145599 9.301096 
1 1 1    1    6   14 o  191.509   3.8648  367.005   14.796 -3.876511 7.729658 
1 1 1    1    6   15 o  245.587   3.5525  605.897   17.387 13.42825 7.105094 
1 1 1    1    6   16 o  338.575   4.3159  1147.99   29.215 5.314056 8.631726 
1 1 1    1    6   17 o  251.965   4.8966  634.420   24.628 -11.66415 9.793243 
1 1 1    1    6   18 o  333.396   5.3587  1057.71   31.750 36.49945 10.71740 
1 1 1    1    6   19 o  201.552   3.9010  386.946   14.802 -28.43808 7.801958 
1 1 1    1    6   20 o  233.393   4.6623  546.459   21.741 1.247971 9.324525 
1 1 1    1    6   21 o  213.162   4.4499  354.906   16.271 -96.79980 8.899739 
1 1 1    1    6   22 o  264.812   5.0280  654.434   25.252 59.85527 10.05606 
1 1 1    1    6   23 o  424.085   8.8258  1821.33   74.857      ?      ? 
1 1 1    1    6   24 o  198.697   4.0779  365.591   15.003 40.31107 8.155708 
1 1 1    1    6   25 o  137.271   3.1909  189.845   8.7037 20.01826 6.381737 
1 1 1    1    6   26 o   99.215   3.5603   99.314   7.0235 -0.8421326E-01 7.120574 
1 1 1    1    6   27 o  118.978   3.5233  144.589   8.2608 -8.955688 7.046522 
1 1 1    1    6   28 o   78.253   4.5084   63.096   7.0556 -0.3565674 9.016705 
1 1 1    1    6   29 o   30.273   7.8927   7.6077   6.9710 10.79529 15.78547 
1 1 1    1    6   30 o   82.958   5.1785   76.551   7.5818 16.25294 10.35703 
1 1 1    1    7    0 o  234.635   4.3577  552.528   20.418 0.000000 0.000000 
1 1 1    1    7    1 o   75.178   3.5665   56.575   5.3454 8.264030 7.132978 
1 1 1    1    7    2 o   93.102   2.2738   86.725   4.2328 2.846504 4.547560 
1 1 1    1    7    3 o  161.498   2.3706  261.023   7.6553 2.021561 4.741119 
1 1 1    1    7    4 o  176.022   2.7085  308.966   9.3874 4.058929 5.416926 
1 1 1    1    7    5 o  232.680   3.5518  541.809   16.513 -6.977417 7.103616 
1 1 1    1    7    6 o   57.686   3.6660   33.347   4.2295 -0.5107803 7.332047 
1 1 1    1    7    7 o  199.971   3.1549  400.254   12.611 -4.718155 6.309702 
1 1 1    1    7    8 o  258.042   3.6339  663.264   18.441 8.516479 7.267733 
1 1 1    1    7    9 o  532.369   6.6485  2848.48   70.752 10.78400 13.29697 
1 1 1    1    7   10 o  483.654   8.7271  1950.59   72.597 -165.0155 17.45425 
1 1 1    1    7   11 o  348.893   5.1371  1203.94   35.487 -31.97296 10.27419 
1 1 1    1    7   12 o  230.104   4.4049  530.424   20.268 -0.4851837 8.809736 
1 1 1    1    7   13 o  204.678   3.1590  418.998   12.813 -1.091492 6.318096 
1 1 1    1    7   14 o  217.869   4.3665  475.312   19.018 -8.804688 8.732924 
1 1 1    1    7   15 o  276.289   4.7357  766.763   26.026 -35.87830 9.471494 
1 1 1    1    7   16 o  347.039   6.6010  705.417   30.366 -214.1641 13.20201 
1 1 1    1    7   17 o  213.135   3.6611  451.616   15.540 17.50610 7.322229 
1 1 1    1    7   18 o  159.772   3.8591  266.176   11.401 -18.47188 7.718246 
1 1 1    1    7   19 o  285.643   7.7823  819.824   44.459      ?      ? 
1 1 1    1    7   20 o  251.252   3.4805  633.039   17.487 1.868881 6.961042 
1 1 1    1    7   21 o  224.676   4.5484  454.196   19.037 -64.96503 9.096874 
1 1 1    1    7   22 o  142.855   3.5314  196.697   9.5437 -16.84879 7.062766 
1 1 1    1    7   23 o  219.309   6.2961  484.266   27.616      ?      ? 
1 1 1    1    7   24 o  135.468   3.4160  184.839   9.2524 1.297211 6.831996 
1 1 1    1    7   25 o  138.195   3.3594  193.451   9.2395 -12.15430 6.718862 
1 1 1    1    7   26 o   93.347   3.8938   86.940   7.1489 -7.284363 7.787684 
1 1 1    1    7   27 o   64.645   5.2366   41.563   6.6324 -11.02247 10.47314 
1 1 1    1    7   28 o  111.745   4.2922  123.302   9.4391 28.20680 8.584335 
1 1 1    1    7   29 o   87.963   4.8381   71.468   7.8006 50.61527 9.676274 
1 1 1    1    7   30 o   39.131   7.6584   17.405   6.3395 13.15707 15.31671 
1 1 1    1    8    0 o  100.320   4.2131  103.394   7.9091 0.000000 0.000000 
1 1 1    1    8    1 o  246.711   3.4891  609.406   17.032 1.321259 6.978142 
1 1 1    1    8    2 o  203.769   3.2282  415.959   13.156 -0.5587921 6.456398 
1 1 1    1    8    3 o  121.271   2.5273  147.104   6.0871 -0.9035187 5.054570 
1 1 1    1    8    4 o  101.614   3.1690  101.261   6.3135 -10.30851 6.337988 
1 1 1    1    8    5 o  169.155   3.2502  287.885   10.827 4.494293 6.500354 
1 1 1    1    8    6 o  108.161   5.5064  117.219   11.912      ?      ? 
1 1 1    1    8    7 o  248.417   4.6550  617.110   23.080 -9.718231 9.309928 
1 1 1    1    8    8 o  245.887   3.2749  605.101   16.100 -4.080643 6.549728 
1 1 1    1    8    9 o  252.434   4.7832  636.609   24.091 11.02937 9.566359 
1 1 1    1    8   10 o  491.149   6.6382  2423.78   64.592 2.606018 13.27645 
1 1 1    1    8   11 o  164.043   3.4353  261.653   10.837 -16.35783 6.870610 
1 1 1    1    8   12 o  210.703   3.5355  444.534   14.898 -2.118256 7.071032 
1 1 1    1    8   13 o  114.475   4.1394  131.591   9.4198 15.71127 8.278872 
1 1 1    1    8   14 o  227.523   3.2909  518.153   14.974 -2.419586 6.581727 
1 1 1    1    8   15 o  219.588   4.5384  478.297   19.800 -19.53491 9.076732 
1 1 1    1    8   16 o  256.435   4.9745  658.606   25.486 9.625412 9.948919 
1 1 1    1    8   17 o  195.682   3.4496  384.091   13.273 -1.175629 6.899268 
1 1 1    1    8   18 o  125.678   4.0611  144.833   9.7335 -37.66002 8.122264 
1 1 1    1    8   19 o  172.126   4.5766  294.254   15.603 -33.65265 9.153130 
1 1 1    1    8   20 o  159.339   4.7502  252.931   14.985 32.07387 9.500455 
1 1 1    1    8   21 o  166.286   4.4925  269.067   14.568 52.12204 8.984965 
1 1 1    1    8   22 o  290.800   5.0550  847.558   28.657 7.823303 10.11005 
1 1 1    1    8   23 o   93.415   4.4711   84.231   7.8291 -11.72072 8.942162 
1 1 1    1    8   24 o  168.592   3.2260  282.826   10.692 10.61890 6.451976 
1 1 1    1    8   25 o  182.706   3.2595  337.868   11.850 6.862823 6.518908 
1 1 1    1    8   26 o   89.996   3.9561   82.535   6.9719 1.653801 7.912211 
1 1 1    1    8   27 o  103.797   5.5164  110.518   11.203 -25.00655 11.03280 
1 1 1    1    8   28 o   69.941   4.7625   50.252   6.6055 0.5287170 9.524934 
1 1 1    1    8   29 o   69.450   4.7992   50.006   6.5443 1.085968 9.598476 
1 1 1    1    8   30 o  160.870   5.8819  261.377   18.924      ?      ? 
1 1 1    1    9    0 o   35.524   10.712   17.335   9.4433 0.000000 0.000000 
1 1 1    1    9    1 o  150.131   3.3387  219.136   9.6098 14.66139 6.677363 
1 1 1    1    9    2 o  176.217   3.2950  300.022   10.664 15.15808 6.589957 
1 1 1    1    9    3 o   63.833   4.4553   36.618   5.3849 23.64747 8.910658 
1 1 1    1    9    4 o  151.947   3.6897  227.158   11.112 21.92310 7.379448 
1 1 1    1    9    5 o  189.620   3.9300  360.111   14.904 0.6300201 7.860075 
1 1 1    1    9    6 o  336.001   4.6381  1133.15   30.914 4.540802 9.276124 
1 1 1    1    9    7 o  122.760   3.7127  150.497   9.1016 -5.847588 7.425337 
1 1 1    1    9    8 o  368.944   4.6837  1363.36   34.552 -5.388672 9.367476 
1 1 1    1    9    9 o  244.993   4.7405  591.359   22.951 -25.73392 9.480914 
1 1 1    1    9   10 o  309.347   5.2520  943.549   31.174 -17.59222 10.50406 
1 1 1    1    9   11 o  176.510   5.9357  312.111   20.954      ?      ? 
1 1 1    1    9   12 o  253.152   4.9691  642.351   25.155 -6.164597 9.938286 
1 1 1    1    9   13 o  284.164   4.9223  812.719   27.675 -7.914124 9.844507 
1 1 1    1    9   14 o  147.851   5.9052  219.101   17.462      ?      ? 
1 1 1    1    9   15 o  189.572   4.1375  353.944   15.347 -15.33014 8.275094 
1 1 1    1    9   16 o  193.789   3.7248  375.784   14.425 -9.473389 7.449584 
1 1 1    1    9   17 o  187.520   4.2553  354.454   15.546 -3.602280 8.510661 
1 1 1    1    9   18 o  303.568   5.8923  899.074   34.984 -47.32513 11.78469 
1 1 1    1    9   19 o  129.913   4.7619  182.375   11.487 44.70826 9.523744 
1 1 1    1    9   20 o  162.683   4.4476  269.393   14.187 10.40016 8.895217 
1 1 1    1    9   21 o  163.435   3.8965  273.176   12.016 -9.168167 7.793003 
1 1 1    1    9   22 o  189.098   3.4693  362.678   13.003 12.70584 6.938572 
1 1 1    1    9   23 o  117.810   4.5381  146.895   9.9314 16.09531 9.076274 
1 1 1    1    9   24 o   76.030   7.3485   77.188   8.3898 45.98129 14.69707 
1 1 1    1    9   25 o   63.470   5.3294   41.152   6.7384 -5.415176 10.65878 
1 1 1    1    9   26 o  140.378   3.9105  187.136   10.541 27.30577 7.820935 
1 1 1    1    9   27 o  104.955   5.1272  124.895   9.6584 -44.36925 10.25444 
1 1 1    1    9   28 o   78.598   5.2729   65.199   8.1213 5.644615 10.54577 
1 1 1    1   10    0 o  207.939   4.2456  433.613   17.618 0.000000 0.000000 
1 1 1    1   10    1 o  116.059   2.8224  134.764   6.5504 -2.802238 5.644842 
1 1 1    1   10    2 o  282.169   4.0077  797.613   22.391 -0.7693787 8.015431 
1 1 1    1   10    3 o  147.656   3.4220  220.351   9.9440 9.008987 6.843996 
1 1 1    1   10    4 o  173.916   3.0150  300.553   10.345 -7.254822 6.029909 
1 1 1    1   10    5 o  225.236   3.6341  507.297   16.357 -6.668564 7.268286 
1 1 1    1   10    6 o  129.482   3.2614  167.892   8.4428 2.334473 6.522885 
1 1 1    1   10    7 o  156.622   3.9421  245.756   12.335 0.9206238 7.884255 
1 1 1    1   10    8 o  184.569   3.9193  345.881   14.261 -21.19044 7.838611 
1 1 1    1   10    9 o  417.383   5.7204  1750.95   47.370 -6.752106 11.44082 
1 1 1    1   10   10 o  222.068   3.8362  489.932   16.965 -19.64996 7.672379 
1 1 1    1   10   11 o  169.105   3.4797  285.559   11.553 2.491379 6.959489 
1 1 1    1   10   12 o  243.410   4.0203  591.013   19.514 14.16899 8.040631 
1 1 1    1   10   13 o  253.249   4.1762  643.113   21.138 0.2904816 8.352500 
1 1 1    1   10   14 o  282.439   4.5945  796.034   25.871 -19.93277 9.189063 
1 1 1    1   10   15 f  274.548   7.5644  758.057   41.536      ?      ? 
1 1 1    1   10   16 o  183.833   4.5945  337.357   16.748 -9.526276 9.188977 
1 1 1    1   10   17 o  196.892   4.3946  390.458   17.011 2.154343 8.789130 
1 1 1    1   10   18 o  188.290   3.5471  355.235   13.119 -2.224609 7.094192 
1 1 1    1   10   19 o  138.176   3.8203  195.416   10.333 14.78801 7.640676 
1 1 1    1   10   20 o  133.453   4.3078  172.212   11.251 34.47457 8.615576 
1 1 1    1   10   21 o  123.313   3.7850  156.266   9.0858 12.26069 7.569943 
1 1 1    1   10   22 o   74.145   8.1316   65.074   10.473 -30.37310 16.26315 
1 1 1    1   10   23 o   71.421   7.1013   53.369   10.117 -4.914192 14.20262 
1 1 1    1   10   24 o  137.890   5.3579  199.648   14.370 13.88689 10.71590 
1 1 1    1   10   25 o  106.433   6.4634  113.486   12.471 -2.597435 12.92672 
1 1 1    1   10   26 f  158.085   5.0748  253.161   15.887 -18.73935 10.14957 
1 1 1    1   10   27 o  104.724   6.4317  113.245   13.471      ?      ? 
1 1 1    1   10   28 o  151.668   8.9615  234.386   27.183      ?      ? 
1 1 1    1   11    0 o  300.480   6.8550  922.755   39.807 0.000000 0.000000 
1 1 1    1   11    1 o  243.846   4.4482  575.482   20.596 25.32652 8.896379 
1 1 1    1   11    2 o  197.738   3.2896  391.782   12.894 1.397079 6.579221 
1 1 1    1   11    3 o  138.765   4.3207  193.097   11.978 -3.729935 8.641343 
1 1 1    1   11    4 o  273.876   3.6903  750.846   20.210 -4.369415 7.380631 
1 1 1    1   11    5 o  303.157   4.0029  920.440   24.270 -0.1855469 8.005774 
1 1 1    1   11    6 o  143.462   3.9751  207.813   11.128 5.687393 7.950234 
1 1 1    1   11    7 o  130.733   3.5572  169.755   9.2446 9.258942 7.114386 
1 1 1    1   11    8 o  345.748   5.2282  1199.13   36.144 5.646393 10.45645 
1 1 1    1   11    9 o  161.435   7.0583  261.470   22.789      ?      ? 
1 1 1    1   11   10 o  255.870   3.9396  654.200   19.865 -4.337570 7.879225 
1 1 1    1   11   11 f  209.631   5.4763  440.603   22.960      ?      ? 
1 1 1    1   11   12 f  332.427   7.2161  1109.62   47.977      ?      ? 
1 1 1    1   11   13 o  208.861   3.5920  438.962   14.904 6.892258 7.183991 
1 1 1    1   11   14 o  162.393   3.8885  262.276   12.550 -25.27119 7.776973 
1 1 1    1   11   15 o  155.702   3.4145  241.473   10.531 7.651855 6.829008 
1 1 1    1   11   16 o  123.006   5.6159  152.162   13.816      ?      ? 
1 1 1    1   11   17 o  235.687   5.3590  579.645   21.315 -15.75574 10.71804 
1 1 1    1   11   18 f  153.516   5.2496  236.883   16.118      ?      ? 
1 1 1    1   11   19 o  149.927   4.6486  226.233   13.939      ?      ? 
1 1 1    1   11   20 o   58.226   8.5204   37.113   9.6523 -10.71894 17.04079 
1 1 1    1   11   21 o  119.731   5.0834  147.736   11.600 -5.101021 10.16683 
1 1 1    1   11   22 f   86.434   6.7386   76.027   10.434 2.982712 13.47730 
1 1 1    1   11   23 o   74.311   8.9898   57.458   12.439 18.39390 17.97964 
1 1 1    1   11   24 o  160.456   17.086  276.316   54.829      ?      ? 
1 1 1    1   11   25 o   70.020   13.913   51.103   13.293 6.588722 27.82633 
1 1 1    1   11   26 o  104.761   7.7213  119.390   15.263 -1.760330 15.44253 
1 1 1    1   11   27 o   86.130   8.4165   89.956   11.764 -33.92838 16.83296 
1 1 1    1   12    0 o   27.911   10.843   5.6725   10.452 0.000000 0.000000 
1 1 1    1   12    1 o  189.327   3.2317  358.898   12.236 -1.257843 6.463369 
1 1 1    1   12    2 o  134.706   3.8741  181.628   10.432 5.213882 7.748296 
1 1 1    1   12    3 o   31.675   13.534  -0.3621   15.208      ?      ? 
1 1 1    1   12    4 o  159.918   4.1486  260.083   13.064 18.67462 8.297129 
1 1 1    1   12    5 o  160.945   3.7297  259.092   11.989 11.72937 7.459312 
1 1 1    1   12    6 o  107.819   4.6557  117.667   9.9052 -20.42001 9.311342 
1 1 1    1   12    7 o  429.030   6.3336  1853.32   54.344 2.196198 12.66714 
1 1 1    1   12    8 o  134.101   5.2543  190.710   13.144 -53.99468 10.50855 
1 1 1    1   12    9 o  227.591   4.0154  514.218   18.158 -19.01273 8.030881 
1 1 1    1   12   10 o  182.079   3.2484  332.170   11.827 4.806198 6.496716 
1 1 1    1   12   11 o   63.270   5.6737   40.410   7.1683 3.748081 11.34742 
1 1 1    1   12   12 o  197.214   3.5798  391.337   13.913 -3.342087 7.159600 
1 1 1    1   12   13 o   71.280   5.0791   51.277   7.2315 -1.901413 10.15826 
1 1 1    1   12   14 o  119.673   3.4175  143.763   8.1791 -1.392471 6.834924 
1 1 1    1   12   15 o   70.327   5.1528   50.012   7.2471 -0.8234177 10.30558 
1 1 1    1   12   16 o  189.823   3.7359  348.511   13.886 36.04872 7.471884 
1 1 1    1   12   17 o  114.756   5.1756  138.890   10.519 -10.76270 10.35122 
1 1 1    1   12   18 o  162.621   3.4257  266.120   11.062 -2.063141 6.851377 
1 1 1    1   12   19 o   92.359   4.7069   87.717   8.5843 10.74069 9.413730 
1 1 1    1   12   20 o   49.659   8.8880   28.735   8.8206 11.97048 17.77596 
1 1 1    1   12   21 o  116.934   5.5423  135.091   12.471 45.44788 11.08454 
1 1 1    1   12   22 o   67.325   8.7153   50.326   11.101 -34.96531 17.43058 
1 1 1    1   12   23 o   59.390   9.7195   43.631   10.756 -1.927860 19.43899 
1 1 1    1   12   24 o   81.785   7.4528   67.173   10.918 -10.46564 14.90567 
1 1 1    1   13    0 o  104.562   8.0508  111.539   16.639 0.000000 0.000000 
1 1 1    1   13    1 o  172.104   4.3927  270.277   14.193 -44.52559 8.785390 
1 1 1    1   13    2 o  193.243   5.6435  379.434   20.786 -7.516693 11.28696 
1 1 1    1   13    3 f  121.127   4.7527  142.806   11.167 14.34607 9.505381 
1 1 1    1   13    4 o  174.152   3.5335  301.893   12.117 -6.625183 7.067000 
1 1 1    1   13    5 o  175.214   3.2703  307.706   11.459 -0.4548187 6.540576 
1 1 1    1   13    6 o  187.053   3.5890  345.090   13.164 15.00734 7.178074 
1 1 1    1   13    7 o  213.172   3.3241  455.711   14.172 -1.257843 6.648231 
1 1 1    1   13    8 o   86.748   4.5021   75.841   7.7930 5.012115 9.004229 
1 1 1    1   13    9 o  178.997   3.1945  321.292   11.436 -0.7285309 6.389088 
1 1 1    1   13   10 o   78.514   5.5769   65.095   8.3554 -17.42463 11.15372 
1 1 1    1   13   11 o   94.744   4.0547   90.670   7.6296 12.93254 8.109342 
1 1 1    1   13   12 o  108.625   3.6191  118.544   7.8591 -4.440422 7.238116 
1 1 1    1   13   13 o   84.184   4.8381   71.290   8.1365 -5.233742 9.676231 
1 1 1    1   13   14 o   93.915   4.1090   88.920   7.7016 -8.376251 8.217959 
1 1 1    1   13   15 o   50.070   7.1699   26.663   6.9205 -0.3937073 14.33979 
1 1 1    1   13   16 o  122.667   4.6048  149.418   11.162 -25.04324 9.209534 
1 1 1    1   13   17 o   92.033   4.8689   85.953   8.9338 10.28345 9.737714 
1 1 1    1   13   18 o   66.298   8.0087   47.056   9.3720 -2.520569 16.01734 
1 1 1    1   13   19 o   45.637   9.4358   24.421   10.027 18.39330 18.87170 
1 1 1    1   13   20 o   77.045   7.4393   57.530   11.081 22.97850 14.87862 
1 1 1    1   13   21 o   97.656   6.3959   85.551   11.520 44.00915 12.79173 
1 1 1    1   13   22 o   39.879   9.5075   17.795   8.9261 -0.2308731 19.01503 
1 1 1    1   13   23 o   41.082   10.086   18.862   10.122 1.958160 20.17208 
1 1 1    1   13   24 o  161.580   5.8742  268.473   18.105 -62.96358 11.74832 
1 1 1    1   14    0 o  144.339   5.6978  208.965   15.334 0.000000 0.000000 
1 1 1    1   14    1 o  122.637   3.7179  149.871   8.9658 -4.690742 7.435891 
1 1 1    1   14    2 o  121.262   3.9449  147.724   9.5659 2.150650 7.889776 
1 1 1    1   14    3 o  118.671   3.7421  141.842   8.8082 2.969055 7.484145 
1 1 1    1   14    4 o  133.372   4.3215  168.986   11.172 31.11574 8.642973 
1 1 1    1   14    5 o   97.289   4.1976   94.980   8.1270 2.548828 8.395228 
1 1 1    1   14    6 o   41.251   8.3266   17.994   7.2539 -5.077438 16.65326 
1 1 1    1   14    7 o   77.324   5.3386   60.938   8.0472 -3.817116 10.67716 
1 1 1    1   14    8 o  151.479   3.6241  230.570   10.804 0.2380981 7.248192 
1 1 1    1   14    9 o  164.709   3.8987  272.766   12.842 -2.385117 7.797469 
1 1 1    1   14   10 o  121.035   4.1705  146.631   10.048 -6.639626 8.341087 
1 1 1    1   14   11 o  106.904   4.2408  115.894   8.7608 1.810173 8.481575 
1 1 1    1   14   12 f   44.213   9.2856   19.708   8.2458 -6.978123 18.57127 
1 1 1    1   14   13 o  226.230   4.4801  512.401   19.517 -9.402466 8.960236 
1 1 1    1   14   14 o   88.463   4.6865   78.962   8.2636 7.813278 9.373010 
1 1 1    1   14   15 o   47.133   8.4181   23.971   8.0753 14.09016 16.83615 
1 1 1    1   14   16 o   78.336   5.8348   63.565   9.0698 -10.98847 11.66956 
1 1 1    1   14   17 o   48.133   9.3140   24.157   9.1242 16.74638 18.62801 
1 1 1    1   14   18 o   35.127   10.078   2.8796   11.362 13.83646 20.15583 
1 1 1    1   14   19 o   22.219   7.6503 -23.6346   10.970 -0.7156754E-01 15.30062 
1 1 1    1   14   20 o   39.146   9.3593   15.909   9.1432 13.37421 18.71861 
1 1 1    1   14   21 o   38.475   9.3831   16.043   9.0793 -9.435009 18.76611 
1 1 1    1   14   22 o   65.402   10.025   46.673   12.688 -16.47929 20.04956 
1 1 1    1   15    0 o   87.283   7.0816   72.617   11.670 0.000000 0.000000 
1 1 1    1   15    1 o   43.978   8.4394   20.548   7.5734 1.828064 16.87881 
1 1 1    1   15    2 o   73.224   5.0137   54.363   7.2040 18.17311 10.02748 
1 1 1    1   15    3 o   84.191   6.1290   65.417   9.4415 49.12806 12.25805 
1 1 1    1   15    4 o   99.912   4.5399  103.292   8.6522 -10.00942 9.079782 
1 1 1    1   15    5 o   95.909   3.9939   92.544   7.6431 -9.211586 7.987729 
1 1 1    1   15    6 o   40.615   7.8999   17.462   6.8050 -11.63805 15.79980 
1 1 1    1   15    7 o   50.534   7.0580   27.077   6.9695 9.736458 14.11603 
1 1 1    1   15    8 o  141.618   3.7552  202.440   10.625 4.940292 7.510370 
1 1 1    1   15    9 o   78.049   5.8138   61.716   8.8573 -3.030876 11.62760 
1 1 1    1   15   10 o   21.886   7.2042 -11.4118   7.6304 -8.144955 14.40844 
1 1 1    1   15   11 o   86.117   6.3011   76.373   10.847 2.491989 12.60217 
1 1 1    1   15   12 o   68.725   7.1634   48.580   9.7530 6.961006 14.32675 
1 1 1    1   15   13 o  129.564   4.0467  168.097   10.364 10.43198 8.093391 
1 1 1    1   15   14 o   71.589   8.1611   56.239   10.431 -5.796204 16.32213 
1 1 1    1   15   15 o   66.353   10.244   49.232   13.062 9.382408 20.48885 
1 1 1    1   15   17 o   40.891   8.8861   16.951   11.124 -30.04279 17.77218 
1 1 1    1   15   18 o   32.895   9.5145   4.5233   11.004 -11.04254 19.02900 
1 1 1    1   15   19 o   35.881   10.495   8.8593   12.294 -0.7974472 20.98969 
1 1 1    1   15   20 f  127.076   7.9227  177.856   18.839 33.43469 15.84540 
1 1 1    1   16    0 o  116.478   6.1143  141.423   13.462 0.000000 0.000000 
1 1 1    1   16    1 o  102.719   4.2187  108.688   8.5075 -13.19961 8.437427 
1 1 1    1   16    2 o   63.274   6.2324   40.417   7.8149 10.40872 12.46478 
1 1 1    1   16    3 o   28.367   8.4680   1.6148   8.2595 -2.093454 16.93606 
1 1 1    1   16    4 o   88.867   4.9836   80.383   8.8575 0.1077881 9.967117 
1 1 1    1   16    5 o   83.601   4.7277   71.162   7.8887 -3.526535 9.455349 
1 1 1    1   16    6 o   35.137   8.9374   11.522   8.0231 0.9616699 17.87487 
1 1 1    1   16    7 o   31.981   8.8015   6.0503   8.4651 9.932629 17.60293 
1 1 1    1   16    8 o   68.585   6.0362   48.237   8.1905 2.526184 12.07236 
1 1 1    1   16    9 o  116.021   3.7631  136.243   8.7176 -9.308922 7.526274 
1 1 1    1   16   10 o   68.949   5.8314   49.203   8.0276 5.310364 11.66285 
1 1 1    1   16   11 o  102.230   4.2506  107.134   8.6825 5.848457 8.501125 
1 1 1    1   16   12 o  110.268   5.1777  122.234   11.349 17.08865 10.35550 
1 1 1    1   16   13 o  145.367   8.3634  222.059   16.221 -157.0102 16.72675 
1 1 1    1   16   14 o   24.736   8.0182  -8.8563   9.6011 -6.988846 16.03643 
1 1 1    1   16   15 o   37.931   9.3875   15.558   8.8589 4.124340 18.77507 
1 1 1    1   16   16 o   75.864   6.9295   58.805   10.222 -17.28569 13.85902 
1 1 1    1   16   18 f   60.288   16.295   40.550   20.116      ?      ? 
1 1 1    1   17    0 o   25.198   11.482   2.9071   12.991 0.000000 0.000000 
1 1 1    1   17    1 f   86.828   7.2294   79.164   12.169 0.1635590 14.45880 
1 1 1    1   17    2 o   71.676   10.899   63.199   15.117 -25.92843 21.79815 
1 1 1    1   17    3 o   54.958   11.149   34.709   13.177 15.53422 22.29828 
1 1 1    1   17    4 o  132.317   4.3628  179.441   11.522 0.1111450 8.725654 
1 1 1    1   17    5 o   92.651   5.2841   89.636   9.6970 -2.505714 10.56817 
1 1 1    1   17    6 o   70.745   7.1281   52.211   10.085 0.2736816 14.25630 
1 1 1    1   17    7 o   46.515   9.8967   23.041   10.703 16.61900 19.79333 
1 1 1    1   17    8 o  104.276   5.1605  109.792   10.665 0.1537399 10.32093 
1 1 1    1   17    9 o  138.980   4.8392  199.007   13.431 10.56711 9.678406 
1 1 1    1   17   10 o   77.727   6.9956   63.171   10.731 13.00201 13.99119 
1 1 1    1   17   11 o   77.284   6.1863   63.213   9.5318 6.226807 12.37264 
1 1 1    1   17   12 o   78.335   5.9252   64.436   9.2819 1.644005 11.85043 
1 1 1    1   17   13 o   52.364   9.0748   31.917   9.4401 -3.116138 18.14968 
1 1 1    1   17   14 o   24.000   8.0340  -4.1806   10.329 7.190748 16.06804 
1 1 1    1   17   15 o   65.032   10.114   55.034   12.963 -36.09329 20.22833 
1 1 1    1   18    0 f   36.756   14.255   22.087   15.580 0.000000 0.000000 
1 1 1    1   18    1 o   65.902   8.6878   47.883   11.203 8.135269 17.37557 
1 1 1    1   18    2 o   73.081   8.1208   58.324   11.495 12.59126 16.24163 
1 1 1    1   18    3 o   97.979   7.0729  102.367   13.810 6.660301 14.14585 
1 1 1    1   18    4 o  102.725   7.4339  115.046   15.086 15.84341 14.86788 
1 1 1    1   18    5 o   32.559   9.8115  -0.8865   11.211 16.00118 19.62307 
1 1 1    1   18    6 o   45.633   10.484   17.371   11.607 28.99509 20.96787 
1 1 1    1   18    7 o   66.255   9.4960   50.907   12.051 -3.725151 18.99192 
1 1 1    1   18    8 o   44.779   10.584   23.465   11.820 -13.21801 21.16790 
1 1 1    1   18    9 o   34.084   10.265   35.535   12.449 -6.541367 20.52926 
1 1 1    1   18   10 o   40.152   10.790   12.847   11.952 -9.999931 21.57982 
1 1 1    1   18   11 o   39.006   10.818   9.6529   12.618 -9.661240 21.63573 
1 1 1    1   19    0 o  206.515   8.4133  430.541   33.952 0.000000 0.000000 
1 1 1    1   19    1 o   92.054   6.2088   87.080   11.278 -16.99058 12.41769 
1 1 1    1   19    2 o  124.282   7.0298  158.036   17.224 28.13741 14.05966 
1 1 1    1   19    3 o   48.165   11.778   23.216   14.305 -11.18113 23.55563 
1 1 1    1   19    4 o   82.200   8.2030   70.960   13.315 -11.46243 16.40593 
1 1 1    2    0    0 o  509.104   12.662  2614.28  128.572 0.000000 0.000000 
1 1 1    2    0    1 o  154.305   2.7510  238.201   8.4658 0.000000 0.000000 
1 1 1    2    0    2 o  243.095   4.2689  592.633   20.726 0.000000 0.000000 
1 1 1    2    0    3 o  155.482   3.4311  242.750   10.005 0.000000 0.000000 
1 1 1    2    0    4 o  382.260   9.5317  1472.76   72.665 0.000000 0.000000 
1 1 1    2    0    5 o  471.804   8.2635  2236.11   77.867 0.000000 0.000000 
1 1 1    2    0    6 o  639.372   11.205  4111.75  143.089 0.000000 0.000000 
1 1 1    2    0    7 o  550.643   9.6442  3045.31  106.064 0.000000 0.000000 
1 1 1    2    0    8 f  571.002   12.251  3306.15  132.957 0.000000 0.000000 
1 1 1    2    0    9 o  486.850   8.5471  2379.55   83.069 0.000000 0.000000 
1 1 1    2    0   10 o  469.081   11.708  2222.57  109.518 0.000000 0.000000 
1 1 1    2    0   11 o  267.052   4.7813  710.840   25.366 0.000000 0.000000 
1 1 1    2    0   12 o  318.755   5.6576  1020.59   36.015 0.000000 0.000000 
1 1 1    2    0   13 o  168.060   3.9738  283.254   12.565 0.000000 0.000000 
1 1 1    2    0   14 o  449.719   7.9502  2036.18   71.369 0.000000 0.000000 
1 1 1    2    0   15 o  312.556   6.9640  961.404   39.749 0.000000 0.000000 
1 1 1    2    0   16 o  198.709   4.7901  388.301   17.375 0.000000 0.000000 
1 1 1    2    0   17 o  704.984   12.441  5007.54  174.961 0.000000 0.000000 
1 1 1    2    0   18 o  189.910   4.9183  364.272   17.481 0.000000 0.000000 
1 1 1    2    0   19 o  503.713   10.983  2557.18  103.827 0.000000 0.000000 
1 1 1    2    0   20 o  282.816   7.4326  790.333   41.304 0.000000 0.000000 
1 1 1    2    0   21 o  404.325   9.0077  1634.54   67.633 0.000000 0.000000 
1 1 1    2    0   22 o  162.826   4.9248  262.941   15.026 0.000000 0.000000 
1 1 1    2    0   23 o  388.588   7.0257  1520.98   54.521 0.000000 0.000000 
1 1 1    2    0   24 o  391.807   8.6737  1557.60   64.381 0.000000 0.000000 
1 1 1    2    0   25 o  130.283   4.9023  172.366   12.632 0.000000 0.000000 
1 1 1    2    0   27 o  196.214   5.9125  402.381   21.078 0.000000 0.000000 
1 1 1    2    0   28 o  152.383   6.0026  245.530   15.761 0.000000 0.000000 
1 1 1    2    0   29 o   67.959   7.2922   49.462   9.3021 0.000000 0.000000 
1 1 1    2    0   30 o  172.085   5.4993  297.048   17.669 0.000000 0.000000 
1 1 1    2    0   31 o   64.826   11.352   54.926   11.477 0.000000 0.000000 
1 1 1    2    0   32 o   25.611   9.9830   7.3264   8.5328 0.000000 0.000000 
1 1 1    2    0   33 o  150.154   6.3493  226.895   18.683 0.000000 0.000000 
1 1 1    2    1    0 f   32.566   1.6495   10.768   1.0627 0.000000 0.000000 
1 1 1    2    1    1 o   43.870   1.5997   19.251   1.4028 2.025284 3.199479 
1 1 1    2    1    2 o  366.110   5.2316  1344.25   38.304 3.069153 10.46325 
1 1 1    2    1    3 o  336.083   5.3859  1126.56   35.200 -7.629120 10.77178 
1 1 1    2    1    4 o  634.693   9.0829  4056.76  115.258 9.919067 18.16573 
1 1 1    2    1    5 o  308.417   4.4391  952.552   27.380 -1.978363 8.878209 
1 1 1    2    1    6 o  332.976   5.3452  1104.12   34.609 8.072937 10.69041 
1 1 1    2    1    7 o  515.356   6.8840  2667.41   70.390 -7.552002 13.76799 
1 1 1    2    1    8 o  336.488   4.5078  1136.79   30.250 -17.96713 9.015583 
1 1 1    2    1    9 o  166.424   3.9787  237.746   10.471 -38.72365 7.957475 
1 1 1    2    1   10 o  371.295   6.5481  1384.72   48.625 1.022583 13.09615 
1 1 1    2    1   11 o  226.649   5.7799  515.105   26.200      ?      ? 
1 1 1    2    1   12 o  186.788   3.5466  286.394   11.459 -68.13188 7.093201 
1 1 1    2    1   13 o  316.487   5.6555  949.636   34.221 59.11069 11.31095 
1 1 1    2    1   14 o   75.220   3.0496   57.096   4.5526 6.385071 6.099266 
1 1 1    2    1   15 o  167.353   3.8730  280.333   12.963      ?      ? 
1 1 1    2    1   16 o  555.694   7.4819  3104.26   82.218 -2.161255 14.96379 
1 1 1    2    1   17 o  255.217   4.7551  643.732   24.042 -24.63380 9.510206 
1 1 1    2    1   18 o  306.032   5.6626  676.951   26.924 -142.1637 11.32528 
1 1 1    2    1   19 o  114.927   3.8018  133.555   8.5686 6.226585 7.603635 
1 1 1    2    1   20 o  369.620   6.6807  1333.85   48.351 -48.86539 13.36135 
1 1 1    2    1   22 o  206.258   3.1044  426.009   12.802 -2.304886 6.208733 
1 1 1    2    1   23 o  238.652   4.0971  544.841   17.694 -25.37437 8.194242 
1 1 1    2    1   24 o  428.309   5.4388  1849.02   46.587 -2.528442 10.87761 
1 1 1    2    1   25 o  148.715   4.4295  225.683   12.975 -16.24968 8.859071 
1 1 1    2    1   26 o  206.550   4.0834  419.520   16.272 16.61491 8.166722 
1 1 1    2    1   27 o   46.681   8.2833   25.099   7.5996 12.93982 16.56652 
1 1 1    2    1   28 f  180.058   3.2319  327.316   11.610 -6.686676 6.463795 
1 1 1    2    1   29 f  133.909   3.4586  178.413   8.9917 -8.184052 6.917146 
1 1 1    2    1   30 o  205.837   4.0212  428.199   16.519 18.79596 8.042374 
1 1 1    2    1   31 o  105.434   4.0824  114.026   8.3828 0.4299011 8.164811 
1 1 1    2    1   32 o   39.884   7.5018   17.768   6.0435 -2.505539 15.00365 
1 1 1    2    1   33 o  144.522   5.5413  211.060   16.017      ?      ? 
1 1 1    2    2    0 o  387.209   6.7866  1505.53   52.484 0.000000 0.000000 
1 1 1    2    2    1 o  147.127   1.8880  215.370   5.5332 -8.451965 3.776053 
1 1 1    2    2    2 o  113.058   1.6638  128.330   3.7447 5.362595 3.327666 
1 1 1    2    2    3 o  149.770   1.9387  224.234   5.8044 -3.042664 3.877466 
1 1 1    2    2    4 o  223.926   2.8120  500.766   12.575 -7.503036 5.623912 
1 1 1    2    2    5 o  373.809   4.6364  1398.67   34.653 -5.868073 9.272835 
1 1 1    2    2    6 o  325.039   4.3528  1058.39   28.046 1.888824 8.705583 
1 1 1    2    2    7 o  557.481   7.9827  3117.50   88.969 9.798523 15.96542 
1 1 1    2    2    8 o  357.170   4.7967  1280.96   34.178 19.54852 9.593368 
1 1 1    2    2    9 o  255.670   3.7162  653.059   18.965 -8.236649 7.432336 
1 1 1    2    2   10 o  146.730   2.3260  214.202   6.7773 -6.776703 4.651933 
1 1 1    2    2   11 o  410.478   7.2464  1687.39   59.168 -25.02536 14.49273 
1 1 1    2    2   12 o  385.369   5.9385  1489.20   42.815 -3.395813 11.87708 
1 1 1    2    2   13 o  164.801   3.3495  145.001   7.0144 -113.4310 6.698930 
1 1 1    2    2   14 o  196.351   3.0480  319.294   10.384 -68.90796 6.095941 
1 1 1    2    2   15 o  326.107   4.4395  1068.98   28.791 9.415771 8.878906 
1 1 1    2    2   16 o  547.265   6.8086  3007.86   74.508 -6.350037 13.61729 
1 1 1    2    2   17 o  363.858   9.1740  1328.87   66.760      ?      ? 
1 1 1    2    2   18 o  381.532   6.0893  1365.06   44.838 -101.2615 12.17864 
1 1 1    2    2   19 o  349.180   6.4022  949.204   36.872 142.1783 12.80433 
1 1 1    2    2   20 o  199.079   3.3782  384.508   13.191 -31.09256 6.756384 
1 1 1    2    2   21 o  289.819   4.3774  838.384   25.294 -15.70001 8.754753 
1 1 1    2    2   22 o  172.334   4.1965  297.864   14.463 0.8231354 8.393079 
1 1 1    2    2   23 o  409.836   8.4279  1673.70   53.486 8.822662 16.85575 
1 1 1    2    2   24 o  243.329   5.3023  256.381   15.304 208.4946 10.60461 
1 1 1    2    2   25 o  179.683   4.5564  345.350   15.294 -41.79956 9.112763 
1 1 1    2    2   26 o   95.309   4.0152   91.862   7.6084 5.432312 8.030430 
1 1 1    2    2   27 o  134.847   4.9968  183.228   13.476      ?      ? 
1 1 1    2    2   28 o  108.749   4.3360  120.791   8.8638 2.900185 8.671962 
1 1 1    2    2   29 o  158.083   4.5087  256.481   12.076 -3.639954 9.017323 
1 1 1    2    2   30 o   49.647   12.530   26.511   12.450      ?      ? 
1 1 1    2    2   31 o   92.091   4.2578   89.671   7.4386 12.84488 8.515668 
1 1 1    2    2   32 o  111.536   3.2876  127.616   7.2646 13.17435 6.575246 
1 1 1    2    2   33 f   44.170   7.1317   11.420   9.7088 49.32879 14.26334 
1 1 1    2    3    0 o  217.182   3.8793  468.057   16.695 0.000000 0.000000 
1 1 1    2    3    1 o  409.454   5.0758  1679.72   41.565 2.042999 10.15151 
1 1 1    2    3    2 o  257.390   3.2142  662.849   16.544 2.682892 6.428451 
1 1 1    2    3    3 o  230.954   3.3673  530.907   15.490 -13.05994 6.734522 
1 1 1    2    3    4 o  308.369   4.4389  951.976   27.376 -0.4510498 8.877858 
1 1 1    2    3    5 o  533.978   7.1433  2851.93   75.245 7.923218 14.28660 
1 1 1    2    3    6 o  400.139   6.0834  1602.48   45.778 1.230804 12.16671 
1 1 1    2    3    7 o  357.020   5.7000  1284.03   40.488 -26.76321 11.39995 
1 1 1    2    3    8 o  190.540   3.4792  363.302   13.256 2.909348 6.958453 
1 1 1    2    3    9 o  291.432   3.9449  849.677   22.711 -2.589386 7.889708 
1 1 1    2    3   10 o  192.228   4.9632  370.254   19.081      ?      ? 
1 1 1    2    3   11 o  362.350   4.9091  1312.44   34.981 -8.788177 9.818236 
1 1 1    2    3   12 o  428.823   6.5601  1855.68   53.208 3.665741 13.12024 
1 1 1    2    3   13 o  213.027   2.8973  456.078   11.955 3.127228 5.794626 
1 1 1    2    3   14 o  356.849   5.4940  1285.96   37.239 7.137665 10.98808 
1 1 1    2    3   15 o  305.039   4.7717  929.651   27.160 -2.726685 9.543438 
1 1 1    2    3   16 o  192.388   3.0565  367.792   11.678 -11.10310 6.112932 
1 1 1    2    3   17 o  240.884   3.6650  553.071   17.083 44.60396 7.329923 
1 1 1    2    3   18 o  295.387   4.0946  874.193   23.911 0.4792786 8.189179 
1 1 1    2    3   19 o  287.943   4.3874  675.610   21.806 108.0582 8.774835 
1 1 1    2    3   20 o  209.931   4.5764  278.931   14.833 137.5186 9.152757 
1 1 1    2    3   21 o  352.319   5.5199  1249.69   36.796 -2.695984 11.03974 
1 1 1    2    3   22 o  243.080   3.6302  583.264   17.291 17.29886 7.260389 
1 1 1    2    3   23 o  238.661   3.8093  553.700   17.842 38.92018 7.618539 
1 1 1    2    3   24 o  148.780   3.3410  222.194   9.9278 0.2175446 6.681916 
1 1 1    2    3   25 o  206.682   3.5980  428.312   14.833 -7.054108 7.196071 
1 1 1    2    3   26 o  181.954   4.4869  332.896   16.328      ?      ? 
1 1 1    2    3   27 o   89.680   3.8278   75.537   6.5870 -22.64423 7.655678 
1 1 1    2    3   28 o  132.411   3.8350  185.966   9.5706 48.41219 7.670068 
1 1 1    2    3   29 o  100.182   3.7705  101.364   7.2709 -1.375488 7.541097 
1 1 1    2    3   30 o  176.029   4.7824  293.316   16.245 41.42137 9.564748 
1 1 1    2    3   31 o   90.431   5.7264  101.991   8.3996 50.50129 11.45287 
1 1 1    2    3   32 o   73.454   5.4785   55.809   6.8953 -28.06311 10.95699 
1 1 1    2    4    0 o  156.980   4.3195  247.418   13.510 0.000000 0.000000 
1 1 1    2    4    1 o  244.548   3.7820  599.004   17.461 0.6862030 7.563975 
1 1 1    2    4    2 o  207.220   2.8753  429.686   11.799 0.3297119 5.750665 
1 1 1    2    4    3 o  590.977   9.5031  3450.87  107.697 -33.31616 19.00614 
1 1 1    2    4    4 o  376.516   6.0722  1398.46   43.929 -20.41272 12.14445 
1 1 1    2    4    5 o  271.614   4.2331  713.853   20.811 -20.84503 8.466162 
1 1 1    2    4    6 o  303.002   4.1000  916.940   24.505 -4.560028 8.200084 
1 1 1    2    4    7 o  499.757   7.6063  2520.77   72.012 7.143921 15.21257 
1 1 1    2    4    8 o  228.007   3.1557  521.195   14.274 2.241013 6.311386 
1 1 1    2    4    9 o  260.508   3.5756  679.795   18.435 -0.5604858 7.151213 
1 1 1    2    4   10 o  138.962   3.0379  193.431   8.4419 -2.591751 6.075740 
1 1 1    2    4   11 o  167.311   2.3318  279.870   7.7964 4.469452 4.663634 
1 1 1    2    4   12 o  108.765   2.5123  115.778   5.3404 10.86829 5.024649 
1 1 1    2    4   13 o  206.840   3.1804  426.367   13.107 11.32178 6.360723 
1 1 1    2    4   14 o  336.236   4.8886  1133.06   32.856 -7.081390 9.777287 
1 1 1    2    4   15 o  322.102   5.2240  1045.37   33.486 27.00662 10.44809 
1 1 1    2    4   16 o  240.721   4.4704  579.978   21.522      ?      ? 
1 1 1    2    4   17 o  267.434   5.6162  716.340   30.039      ?      ? 
1 1 1    2    4   18 o  313.413   4.3617  980.607   26.970 6.559540 8.723444 
1 1 1    2    4   19 o  372.872   5.7724  1394.62   40.793 0.2638245 11.54471 
1 1 1    2    4   20 o   95.854   4.2035   78.279   7.4156 -40.95535 8.406928 
1 1 1    2    4   21 o  249.473   4.5212  592.661   21.052 33.98485 9.042459 
1 1 1    2    4   22 o  195.151   3.4796  377.992   13.510 20.96922 6.959192 
1 1 1    2    4   23 o  186.999   3.1355  341.018   11.467 23.29715 6.271082 
1 1 1    2    4   24 o  188.007   5.9040  355.567   22.200      ?      ? 
1 1 1    2    4   25 o  198.439   4.9618  395.462   19.692      ?      ? 
1 1 1    2    4   26 o   98.251   3.5666   96.512   6.9804 11.16576 7.133130 
1 1 1    2    4   27 o  111.002   3.4870  130.019   7.3866 27.89467 6.974028 
1 1 1    2    4   28 o  110.532   3.6675  124.846   7.5669 52.78255 7.335049 
1 1 1    2    4   29 o   59.024   6.0119   35.290   6.3863 -4.088135 12.02375 
1 1 1    2    4   30 o   47.175   10.469   25.456   9.6172      ?      ? 
1 1 1    2    4   31 o   72.917   4.7168   55.524   6.5369 3.767929 9.433515 
1 1 1    2    4   32 o   99.380   4.8553   99.553   9.6503      ?      ? 
1 1 1    2    5    0 o   84.771   4.1683   72.482   6.9598 0.000000 0.000000 
1 1 1    2    5    1 o  375.004   5.0537  1409.58   37.554 1.692749 10.10743 
1 1 1    2    5    2 o  329.337   4.4414  1089.33   29.121 -11.47507 8.882723 
1 1 1    2    5    3 o  158.464   2.3875  252.028   7.5237 -5.342621 4.775084 
1 1 1    2    5    4 o  240.241   3.7656  580.409   17.150 -3.474152 7.531188 
1 1 1    2    5    5 o  413.612   6.2932  1727.99   49.522 -9.007080 12.58638 
1 1 1    2    5    6 o  294.921   5.2759  862.169   30.826 -25.30594 10.55187 
1 1 1    2    5    7 o  180.584   2.6498  326.218   9.4602 0.9229431 5.299580 
1 1 1    2    5    8 o  243.180   4.4004  592.831   21.392 -4.249420 8.800837 
1 1 1    2    5    9 o   95.195   2.2152   89.880   4.1775 5.956161 4.430420 
1 1 1    2    5   10 o  153.699   2.4265  235.496   7.3562 3.653427 4.853014 
1 1 1    2    5   11 o  191.863   3.7690  291.870   12.417 80.85805 7.538003 
1 1 1    2    5   12 o  302.970   4.1586  915.814   24.802 7.906219 8.317265 
1 1 1    2    5   13 o  318.793   6.5885  1019.02   42.007      ?      ? 
1 1 1    2    5   14 o  266.554   3.4579  710.990   18.428 4.538483 6.915844 
1 1 1    2    5   15 o  184.318   4.4235  340.028   16.307      ?      ? 
1 1 1    2    5   16 o  195.616   5.6256  383.252   22.009      ?      ? 
1 1 1    2    5   17 o  249.212   4.6678  622.231   23.262 5.093292 9.335666 
1 1 1    2    5   18 o  282.107   7.3441  797.960   41.436      ?      ? 
1 1 1    2    5   19 o  385.402   6.2050  1350.43   40.195 -66.23160 12.40995 
1 1 1    2    5   20 o  206.015   4.0072  417.651   15.911 13.71039 8.014498 
1 1 1    2    5   21 o  245.889   4.3963  597.972   21.404 48.48700 8.792598 
1 1 1    2    5   22 o  217.516   4.4851  454.668   18.973 40.61880 8.970109 
1 1 1    2    5   23 o  149.644   4.7475  224.785   14.209      ?      ? 
1 1 1    2    5   24 o  248.170   4.3534  598.659   19.630 19.95117 8.706816 
1 1 1    2    5   25 f  142.477   4.1122  205.338   11.464 -2.257919 8.224373 
1 1 1    2    5   26 o  122.198   3.2348  150.441   7.8741 -0.7958450 6.469596 
1 1 1    2    5   27 o   85.613   4.5461   75.055   7.5460 3.179710 9.092118 
1 1 1    2    5   28 o   80.508   4.0889   60.722   6.3157 -24.72967 8.177824 
1 1 1    2    5   30 o   35.648   9.2346   12.047   8.0865 -3.235451 18.46914 
1 1 1    2    5   31 o   64.215   5.1273   43.645   6.4588 10.67210 10.25455 
1 1 1    2    5   32 o   39.182   6.9344   0.9393   8.0325 45.82851 13.86879 
1 1 1    2    6    0 o  441.568   7.8029  1960.57   68.815 0.000000 0.000000 
1 1 1    2    6    1 o  269.992   3.4391  729.949   18.569 -1.989288 6.878181 
1 1 1    2    6    2 o  198.814   3.7768  392.910   14.936 -14.43338 7.553517 
1 1 1    2    6    3 o  173.672   3.4404  301.896   11.944 -4.660431 6.880892 
1 1 1    2    6    4 o  229.454   3.8704  530.586   17.547 -8.579742 7.740861 
1 1 1    2    6    5 o  355.359   4.8147  1267.17   33.856 -0.2292175 9.629490 
1 1 1    2    6    6 o  174.396   4.9686  304.766   17.330      ?      ? 
1 1 1    2    6    7 o  146.659   3.1497  215.252   9.2334 5.835983 6.299416 
1 1 1    2    6    8 o  306.564   3.8902  941.109   23.831 7.675964 7.780388 
1 1 1    2    6    9 o  169.793   2.8760  288.704   9.7660 -0.5952148 5.752024 
1 1 1    2    6   10 f  243.670   4.1517  599.006   19.897 -8.250854 8.303493 
1 1 1    2    6   11 o  399.673   7.0908  1602.36   56.680      ?      ? 
1 1 1    2    6   12 o  372.992   8.6184  1150.30   48.766 103.2187 17.23684 
1 1 1    2    6   13 o  185.495   5.4855  344.581   20.351      ?      ? 
1 1 1    2    6   14 o  206.954   3.8111  423.602   15.152 8.811768 7.622173 
1 1 1    2    6   15 o  465.858   7.5327  2183.80   68.930 2.058655 15.06531 
1 1 1    2    6   16 o  154.276   3.8697  238.268   11.932 1.649567 7.739371 
1 1 1    2    6   17 o  284.752   4.8856  814.632   27.321 -3.740784 9.771243 
1 1 1    2    6   18 o  270.819   5.1988  687.829   26.921 -59.31630 10.39755 
1 1 1    2    6   19 o  252.460   3.7641  638.453   18.748 0.7512360 7.528197 
1 1 1    2    6   20 o  258.225   3.8206  670.666   19.623 -9.753784 7.641159 
1 1 1    2    6   21 o  214.370   4.1177  448.421   16.893 19.90295 8.235386 
1 1 1    2    6   22 o  142.316   3.5867  204.832   8.9624 2.506851 7.173353 
1 1 1    2    6   23 o  289.649   4.4428  810.234   24.961 -46.28189 8.885646 
1 1 1    2    6   24 o  148.119   8.3208  222.214   24.649      ?      ? 
1 1 1    2    6   25 o  147.317   3.3176  218.183   9.7657 -3.473221 6.635123 
1 1 1    2    6   26 o   99.885   3.5890  100.364   7.1579 6.441597 7.178008 
1 1 1    2    6   27 o  104.974   4.4191  108.168   9.0327 15.30268 8.838199 
1 1 1    2    6   28 o   73.509   5.3959   55.970   7.7410 1.063606 10.79184 
1 1 1    2    6   30 o   91.345   4.4040   89.782   7.2366 12.03592 8.808044 
1 1 1    2    7    0 o   88.286   3.2937   78.635   5.7776 0.000000 0.000000 
1 1 1    2    7    1 o  161.318   2.3731  260.495   7.6565 0.4185486E-01 4.746283 
1 1 1    2    7    2 o  273.118   3.7915  750.195   20.602 -9.212494 7.583010 
1 1 1    2    7    3 o  135.649   2.2333  184.112   6.0572 2.146652 4.466567 
1 1 1    2    7    4 o  220.380   2.9372  486.408   12.945 1.387024 5.874380 
1 1 1    2    7    5 o  286.709   3.9707  823.746   22.513 -0.8169250 7.941449 
1 1 1    2    7    6 o  209.966   3.2437  441.586   13.621 -0.9978790 6.487481 
1 1 1    2    7    7 o  194.738   3.4352  382.634   13.261 -12.22849 6.870407 
1 1 1    2    7    8 o  283.099   3.9491  795.859   21.893 12.84262 7.898205 
1 1 1    2    7    9 o  314.634   4.6453  987.128   29.109 18.06119 9.290659 
1 1 1    2    7   10 o  192.332   4.0089  321.454   14.092 63.50557 8.017801 
1 1 1    2    7   11 o  280.396   7.3605  788.304   41.277      ?      ? 
1 1 1    2    7   12 o  267.197   5.0048  616.923   23.987 -82.96112 10.00964 
1 1 1    2    7   13 o  195.284   4.1488  381.894   16.190 0.8000793 8.297505 
1 1 1    2    7   14 o  257.552   4.8428  653.760   24.643 -26.61211 9.685689 
1 1 1    2    7   15 o  228.942   4.1531  506.136   18.032 -24.85318 8.306158 
1 1 1    2    7   16 o  271.648   5.1968  736.292   28.093 -12.76556 10.39353 
1 1 1    2    7   17 o  344.206   5.4103  1202.09   35.804 14.35980 10.82066 
1 1 1    2    7   18 o  214.478   3.4522  462.626   14.725 8.805634 6.904399 
1 1 1    2    7   19 o  312.629   4.4384  983.455   27.592 10.02634 8.876828 
1 1 1    2    7   20 o   74.335   4.8567   57.848   6.9198 15.22510 9.713376 
1 1 1    2    7   21 o  147.592   4.0839  184.653   11.073 -69.51518 8.167878 
1 1 1    2    7   22 o   83.952   5.1498   70.284   8.5474 -17.99358 10.29955 
1 1 1    2    7   23 o  218.702   4.5774  411.991   18.126 -75.49948 9.154894 
1 1 1    2    7   24 o  152.070   3.7180  231.716   11.199 6.288925 7.435942 
1 1 1    2    7   25 o   87.476   4.4035   78.214   7.6375 7.902321 8.807076 
1 1 1    2    7   26 o   81.095   4.3553   64.712   6.9361 -13.78029 8.710609 
1 1 1    2    7   27 o   75.361   5.1910   67.121   6.6838 37.83451 10.38206 
1 1 1    2    7   28 o   59.635   6.5933   37.357   7.3734 22.40879 13.18662 
1 1 1    2    7   29 o   49.468   7.5715   29.228   6.9154 13.47344 15.14291 
1 1 1    2    7   30 f   61.251   6.7146   48.836   6.9767 29.13786 13.42929 
1 1 1    2    8    0 o   99.326   4.1859   97.471   7.7434 0.000000 0.000000 
1 1 1    2    8    1 o   64.831   3.4190   42.409   4.3890 -3.776699 6.837899 
1 1 1    2    8    2 o  143.605   3.3618  199.428   9.4718 -26.56544 6.723616 
1 1 1    2    8    3 o  252.021   3.8112  636.837   19.210 -1.170227 7.622437 
1 1 1    2    8    4 o  360.491   4.5582  1304.00   32.855 5.099579 9.116370 
1 1 1    2    8    5 o  122.597   2.7568  150.283   6.7543 3.980103 5.513530 
1 1 1    2    8    6 o  118.320   3.4043  140.240   8.0507 5.267899 6.808588 
1 1 1    2    8    7 o  356.730   4.5150  1275.44   32.206 4.178497 9.029950 
1 1 1    2    8    8 o  178.458   3.9154  274.926   12.791 62.76846 7.830795 
1 1 1    2    8    9 o  316.674   4.7039  995.629   29.590 24.15585 9.407716 
1 1 1    2    8   10 o  280.261   3.6729  785.709   20.574 6.847717 7.345747 
1 1 1    2    8   11 o  168.804   3.8035  285.087   12.834 7.645264 7.606976 
1 1 1    2    8   12 o  240.614   3.2892  579.127   15.820 -5.364334 6.578381 
1 1 1    2    8   13 o  271.206   4.2193  734.184   22.839 -15.19366 8.438680 
1 1 1    2    8   14 o  255.598   3.8136  649.940   19.152 8.568909 7.627243 
1 1 1    2    8   15 o  160.653   5.1309  258.506   16.486      ?      ? 
1 1 1    2    8   16 o  292.594   4.3002  845.455   24.518 18.41953 8.600331 
1 1 1    2    8   17 o  182.111   3.0963  331.568   11.266 7.715378 6.192677 
1 1 1    2    8   18 o  150.015   3.9154  225.712   11.460 0.2445679 7.830781 
1 1 1    2    8   19 o  131.343   3.8268  164.120   9.3701 -18.15512 7.653688 
1 1 1    2    8   20 o  238.362   3.6807  572.051   17.444 -6.944931 7.361331 
1 1 1    2    8   21 o  139.883   3.9740  194.678   10.978 8.471664 7.948042 
1 1 1    2    8   22 o  227.868   4.6679  451.823   19.336 -74.93951 9.335702 
1 1 1    2    8   23 o  154.867   4.8290  227.994   14.449 52.64331 9.657997 
1 1 1    2    8   24 o  155.272   3.6664  232.542   11.060 28.64868 7.332729 
1 1 1    2    8   25 o  127.804   3.0596  164.701   7.8177 2.603157 6.119146 
1 1 1    2    8   26 o  116.749   3.9225  125.800   8.0541 -21.45692 7.845074 
1 1 1    2    8   27 o   76.776   6.9946   59.392   10.685 -9.763214 13.98916 
1 1 1    2    8   28 o  107.866   4.8510  131.333   9.3389 32.28974 9.702071 
1 1 1    2    8   29 o   59.924   6.9971   42.054   7.1521 14.39719 13.99424 
1 1 1    2    8   30 o   92.124   9.2970   87.404   17.130      ?      ? 
1 1 1    2    9    0 o  253.275   5.8016  649.662   28.030 0.000000 0.000000 
1 1 1    2    9    1 o  233.269   4.0572  545.760   18.576 -1.229050 8.114366 
1 1 1    2    9    2 o  135.958   3.1466  184.693   8.0296 0.7440491 6.293290 
1 1 1    2    9    3 o  138.432   3.5583  191.913   9.8511 0.4659119 7.116615 
1 1 1    2    9    4 o  197.141   3.0674  389.577   11.969 1.966080 6.134772 
1 1 1    2    9    5 o  184.739   3.4089  337.572   11.679 -5.775650 6.817710 
1 1 1    2    9    6 o  248.353   4.3098  614.696   20.853 -5.494049 8.619523 
1 1 1    2    9    7 o  381.156   5.2027  1457.00   39.269 1.206909 10.40532 
1 1 1    2    9    8 o  274.025   5.3550  509.875   22.442 -147.1498 10.71005 
1 1 1    2    9    9 o  187.227   4.2924  326.732   15.495 -54.06714 8.584778 
1 1 1    2    9   10 o  417.438   6.9387  1660.84   53.665 -54.67517 13.87740 
1 1 1    2    9   11 o  162.742   4.3109  233.359   13.138 61.68929 8.621722 
1 1 1    2    9   12 o  330.601   5.5726  1087.04   35.771 -11.01624 11.14516 
1 1 1    2    9   13 o  210.039   3.5882  442.820   14.865 -3.005356 7.176473 
1 1 1    2    9   14 o  248.088   5.1155  520.007   22.706 89.02483 10.23109 
1 1 1    2    9   15 o  265.953   5.2450  680.443   27.111 -46.24095 10.48999 
1 1 1    2    9   16 o  184.855   3.6092  342.160   13.337 7.962662 7.218402 
1 1 1    2    9   17 o  253.442   5.2645  452.195   21.331 135.9625 10.52895 
1 1 1    2    9   18 o  152.511   4.6435  236.955   13.573 -7.424301 9.286908 
1 1 1    2    9   19 o  210.970   3.5838  445.898   14.900 -2.902649 7.167615 
1 1 1    2    9   20 o  121.262   5.3494  158.349   12.074 44.90923 10.69882 
1 1 1    2    9   21 o  168.589   3.6925  284.499   12.397 -6.985138 7.385075 
1 1 1    2    9   22 o  133.295   4.3153  179.896   11.398 1.898239 8.630582 
1 1 1    2    9   23 o  116.063   3.7467  134.352   8.4140 -5.388771 7.493335 
1 1 1    2    9   24 o   95.796   5.4827  108.689   8.8739 38.74601 10.96546 
1 1 1    2    9   25 o  109.091   4.7829  131.057   9.1723 20.88358 9.565881 
1 1 1    2    9   26 o   97.877   6.0320   96.449   11.808      ?      ? 
1 1 1    2    9   27 o  131.255   4.0215  165.461   10.125 25.77424 8.042939 
1 1 1    2    9   28 o   72.315   7.7202   61.887   9.9815 -31.14888 15.44043 
1 1 1    2    9   29 o  183.042   5.0142  332.381   17.953 54.22893 10.02841 
1 1 1    2   10    0 o   55.400   9.8762   43.960   8.7707 0.000000 0.000000 
1 1 1    2   10    1 o  208.818   3.0114  436.328   12.575 -2.921295 6.022715 
1 1 1    2   10    2 o  172.660   3.0055  295.984   10.211 -7.335083 6.010964 
1 1 1    2   10    3 o  112.189   6.0946  126.073   13.675      ?      ? 
1 1 1    2   10    4 o  202.780   4.2545  411.827   17.244 0.7373657 8.509053 
1 1 1    2   10    5 o  174.576   3.7194  297.228   12.543 -16.72049 7.438738 
1 1 1    2   10    6 f  263.185   3.5324  693.397   18.591 2.625793 7.064886 
1 1 1    2   10    7 o  179.384   3.7837  324.835   13.324 -8.141327 7.567344 
1 1 1    2   10    8 o  228.193   4.2573  519.401   18.882 4.045135 8.514536 
1 1 1    2   10    9 o  110.112   6.6644  121.505   14.677      ?      ? 
1 1 1    2   10   10 o  277.980   7.5619  774.932   42.041      ?      ? 
1 1 1    2   10   11 o  294.952   4.5797  871.445   26.999 7.440308 9.159367 
1 1 1    2   10   13 o  129.439   4.2889  170.390   10.409 -5.504295 8.577863 
1 1 1    2   10   14 o  223.486   4.6549  508.678   20.297 -17.24054 9.309773 
1 1 1    2   10   15 o  210.397   3.6945  441.003   15.272 7.086258 7.388939 
1 1 1    2   10   16 o  283.135   5.5423  798.266   31.149 27.86993 11.08464 
1 1 1    2   10   17 o  165.296   3.9515  275.687   12.997 -17.03496 7.903010 
1 1 1    2   10   18 o   93.646   6.3252  100.362   9.7657 -24.60851 12.65048 
1 1 1    2   10   19 o  167.878   3.4414  281.783   11.453 5.789536 6.882772 
1 1 1    2   10   20 o  158.372   4.4058  270.937   12.684 -31.59901 8.811539 
1 1 1    2   10   21 o  127.519   3.8435  148.891   9.1221 -31.49948 7.687001 
1 1 1    2   10   22 o   94.585   4.2391   89.669   7.9533 17.05482 8.478174 
1 1 1    2   10   23 o   64.797   8.0224   62.686   9.3803 -55.70179 16.04483 
1 1 1    2   10   24 o  148.367   4.1985  191.086   11.320 54.44205 8.397077 
1 1 1    2   10   25 o  128.013   4.3682  160.903   10.870 12.66689 8.736493 
1 1 1    2   10   26 o   73.759   6.9331   58.496   9.6720 23.28243 13.86623 
1 1 1    2   10   27 o   96.096   6.3205  101.273   11.498 -14.62188 12.64099 
1 1 1    2   10   28 o  152.623   5.8640  202.177   15.769 46.53154 11.72807 
1 1 1    2   11    0 o  126.948   4.3666  162.439   11.024 0.000000 0.000000 
1 1 1    2   11    1 f  311.001   4.3984  969.947   27.114 -2.181183 8.796728 
1 1 1    2   11    2 o  233.200   3.3222  544.383   15.492 -0.7979279 6.644475 
1 1 1    2   11    3 o   97.132   3.5759   94.538   6.9179 11.48359 7.151834 
1 1 1    2   11    4 o  244.580   3.6827  598.456   17.823 1.409531 7.365308 
1 1 1    2   11    5 o  222.079   4.3270  458.319   17.865 -42.07446 8.653962 
1 1 1    2   11    6 o  346.682   4.8321  1205.19   33.188 1.243530 9.664269 
1 1 1    2   11    7 o  160.102   4.3246  223.477   12.867 -60.52234 8.649245 
1 1 1    2   11    8 o  269.000   4.8481  704.429   24.962 26.04117 9.696284 
1 1 1    2   11    9 o  229.100   4.9799  478.504   21.534 -63.58421 9.959866 
1 1 1    2   11   10 o  278.150   4.1703  775.497   22.947 -0.3813477 8.340693 
1 1 1    2   11   11 o  197.190   4.2808  388.068   16.544 -4.895004 8.561692 
1 1 1    2   11   12 o  160.358   4.3172  256.131   13.708 -7.425842 8.634377 
1 1 1    2   11   13 o  247.816   4.2088  616.406   20.852 2.225220 8.417697 
1 1 1    2   11   14 o  148.667   3.3353  221.697   9.9119 -0.2668610 6.670588 
1 1 1    2   11   15 o  101.069   5.1313  102.593   10.355 -7.545364 10.26261 
1 1 1    2   11   16 o   59.068   7.5095   38.058   8.0918 -10.89008 15.01901 
1 1 1    2   11   17 o  130.885   3.8903  176.514   9.8969 -17.04315 7.780562 
1 1 1    2   11   18 o   63.891   7.9524   44.491   9.4977 -14.79757 15.90470 
1 1 1    2   11   19 o  120.244   4.7838  147.715   11.363 7.604652 9.567533 
1 1 1    2   11   20 o   31.545   7.7987   6.3380   7.6328 17.87290 15.59737 
1 1 1    2   11   21 o   89.811   4.4843   82.561   7.9906 9.036118 8.968559 
1 1 1    2   11   22 o  140.447   4.0130  193.934   10.868 15.52271 8.026002 
1 1 1    2   11   23 o  119.901   4.6141  135.776   10.367 -27.32462 9.228295 
1 1 1    2   11   24 o  243.107   8.1395  603.372   39.575      ?      ? 
1 1 1    2   11   25 o   88.794   7.7883   82.434   13.831      ?      ? 
1 1 1    2   11   26 o   57.284   9.3997   38.526   11.179 -25.25115 18.79947 
1 1 1    2   11   27 o  109.102   9.3256  122.644   20.349      ?      ? 
1 1 1    2   12    0 o  153.062   5.7505  233.693   16.311 0.000000 0.000000 
1 1 1    2   12    1 o   56.893   6.9088   33.560   7.5445 14.57599 13.81759 
1 1 1    2   12    2 o   97.822   5.4876   97.752   10.365 -7.291206 10.97516 
1 1 1    2   12    3 o   96.822   5.6380   94.392   10.492 -1.065674 11.27609 
1 1 1    2   12    4 o  343.406   5.2070  1183.51   35.762 -2.055511 10.41406 
1 1 1    2   12    5 o  136.824   5.4586  175.734   13.425 86.44900 10.91729 
1 1 1    2   12    6 o  143.101   3.5859  204.894   10.159 -1.429993 7.171714 
1 1 1    2   12    7 o  155.175   3.8289  241.441   11.881 2.769806 7.657772 
1 1 1    2   12    8 o  277.622   3.8665  772.430   21.466 4.324799 7.733031 
1 1 1    2   12    9 o  104.013   5.0606  104.764   10.091 42.31213 10.12116 
1 1 1    2   12   10 o   77.844   5.6623   64.488   8.3189 -19.80078 11.32466 
1 1 1    2   12   11 o   68.003   5.2564   46.469   7.0968 -11.30906 10.51278 
1 1 1    2   12   12 o   77.069   7.9711   68.964   10.312 -25.56764 15.94224 
1 1 1    2   12   13 f  105.458   5.6667  113.285   11.738 -5.136009 11.33345 
1 1 1    2   12   14 o   72.595   4.9309   53.587   7.0657 13.48902 9.861831 
1 1 1    2   12   15 o   50.552   7.4936   26.794   7.5488 22.38973 14.98720 
1 1 1    2   12   16 o  100.969   4.6357  108.244   8.8546 23.28217 9.271411 
1 1 1    2   12   17 o  120.428   4.3058  141.640   9.9877 14.36294 8.611630 
1 1 1    2   12   18 o   75.183   6.1172   60.269   8.7732 -13.72703 12.23439 
1 1 1    2   12   19 o   55.719   7.4693   33.211   8.0644 6.399494 14.93863 
1 1 1    2   12   20 o   69.328   9.5767   54.429   10.422 8.532799 19.15333 
1 1 1    2   12   21 o   87.413   6.1394   68.409   9.9370 42.13837 12.27881 
1 1 1    2   12   22 o  123.465   7.0669  153.952   17.450      ?      ? 
1 1 1    2   12   23 o  139.348   5.3372  198.397   14.469 -45.95260 10.67441 
1 1 1    2   12   24 o   49.923   10.862   30.644   12.060 8.998699 21.72327 
1 1 1    2   13    0 o  285.895   7.8787  801.950   43.979 0.000000 0.000000 
1 1 1    2   13    1 o  156.097   5.4211  228.103   14.641 -20.58472 10.84217 
1 1 1    2   13    2 o   58.885   8.3455   42.560   10.056 -43.46885 16.69102 
1 1 1    2   13    3 o  100.651   7.7674  107.710   12.378 -83.36079 15.53486 
1 1 1    2   13    4 o  103.664   4.4105  107.566   9.0233 -1.793274 8.820941 
1 1 1    2   13    5 o  292.471   4.3108  858.563   24.938 -0.7561951 8.621569 
1 1 1    2   13    6 o  190.234   3.4911  361.839   13.104 -3.405075 6.982158 
1 1 1    2   13    7 o   73.934   4.9923   55.188   7.3596 4.939713 9.984580 
1 1 1    2   13    8 o  159.789   3.1314  255.967   10.006 3.353104 6.262879 
1 1 1    2   13    9 o  156.587   3.1456  245.840   9.8493 4.206055 6.291120 
1 1 1    2   13   10 o   48.843   7.1325   25.110   6.8375 10.27091 14.26493 
1 1 1    2   13   11 o  146.299   3.1462  214.727   9.2017 5.765503 6.292331 
1 1 1    2   13   12 f  149.639   3.2099  224.805   9.6035 5.350647 6.419825 
1 1 1    2   13   13 o   89.357   4.2478   80.532   7.5678 -7.829559 8.495541 
1 1 1    2   13   14 o  126.782   3.3267  161.740   8.4341 1.391823 6.653396 
1 1 1    2   13   15 o  124.190   3.4128  155.200   8.4741 -2.439430 6.825605 
1 1 1    2   13   16 o   75.185   5.9286   59.498   8.3880 7.263214 11.85712 
1 1 1    2   13   17 o   79.552   5.5091   64.773   8.7574 3.251785 11.01816 
1 1 1    2   13   18 o   59.719   7.6286   37.043   8.5320 8.776081 15.25718 
1 1 1    2   13   19 o   44.644   11.123   21.856   11.331 4.415699 22.24688 
1 1 1    2   13   20 o   49.974   6.4633   20.319   11.024 -61.56321 12.92658 
1 1 1    2   13   21 o   40.504   9.8341   19.293   9.6784 7.798981 19.66811 
1 1 1    2   13   22 f   52.559   8.8344   29.973   9.1273 19.24722 17.66881 
1 1 1    2   13   23 o   73.014   7.2209   57.907   10.393 -3.621407 14.44184 
1 1 1    2   13   24 o   88.054   9.9732   78.482   16.822 -20.20538 19.94646 
1 1 1    2   14    0 o  144.833   5.5942  214.572   15.214 0.000000 0.000000 
1 1 1    2   14    1 o   58.137   6.1688   34.156   7.1664 -0.4799576 12.33757 
1 1 1    2   14    2 o   67.075   6.1928   45.657   8.2772 5.476311 12.38565 
1 1 1    2   14    3 o  257.648   3.9552  668.975   20.247 7.091019 7.910394 
1 1 1    2   14    4 o  211.565   3.6980  449.055   15.490 1.899109 7.396034 
1 1 1    2   14    5 o  140.251   3.5184  198.462   9.8238 -12.10869 7.036738 
1 1 1    2   14    6 o   56.654   8.1912   35.596   8.4547 -11.36776 16.38246 
1 1 1    2   14    7 o  177.558   3.9738  319.965   13.174 -5.194504 7.947607 
1 1 1    2   14    8 o   53.163   7.9102   29.319   7.9831 6.021896 15.82030 
1 1 1    2   14    9 o  137.671   3.5278  191.272   9.6512 -17.41121 7.055571 
1 1 1    2   14   10 o  106.443   3.7261  113.591   7.9081 -3.794205 7.452187 
1 1 1    2   14   11 o  125.474   3.7861  157.571   9.1600 -3.336777 7.572149 
1 1 1    2   14   12 o   74.695   6.0878   54.530   8.5150 -8.521072 12.17559 
1 1 1    2   14   13 o  100.218   5.0181  104.020   9.4679 6.255028 10.03617 
1 1 1    2   14   14 o  122.082   3.9330  151.782   9.4316 5.318764 7.866085 
1 1 1    2   14   15 o   81.407   5.5522   68.158   8.9856 2.420662 11.10437 
1 1 1    2   14   16 o   44.483   9.1849   15.776   12.444 -36.24890 18.36981 
1 1 1    2   14   17 o   77.898   6.8328   62.994   10.244 3.825333 13.66555 
1 1 1    2   14   18 o   61.429   13.997   40.856   16.818      ?      ? 
1 1 1    2   14   19 o   25.155   8.0925 -14.7601   9.4825 16.75931 16.18506 
1 1 1    2   14   20 o   56.926   8.9301   36.750   9.9281 -15.00207 17.86030 
1 1 1    2   14   21 o   65.601   7.5919   47.823   9.5724 -7.686848 15.18377 
1 1 1    2   14   22 o   99.751   6.6701   98.233   12.561 11.26923 13.34029 
1 1 1    2   15    0 o   89.061   6.1361   81.645   10.709 0.000000 0.000000 
1 1 1    2   15    1 o   79.210   4.9454   64.641   7.6631 -14.24263 9.890887 
1 1 1    2   15    2 o   99.042   4.3309  101.931   8.2997 22.48249 8.661832 
1 1 1    2   15    3 o   96.605   6.8494   94.143   13.234      ?      ? 
1 1 1    2   15    4 o   81.510   4.6308   67.103   7.5422 3.214485 9.261624 
1 1 1    2   15    5 o   25.968   7.6882  -5.4209   8.1522 -13.60011 15.37630 
1 1 1    2   15    6 o   76.463   4.7653   58.937   7.2578 -9.634651 9.530623 
1 1 1    2   15    7 o  100.897   3.8110  102.486   7.6834 -5.043480 7.621927 
1 1 1    2   15    8 o   81.366   5.4652   67.505   8.6329 0.8891754 10.93037 
1 1 1    2   15    9 o  100.545   4.7717  102.683   9.3015 0.3729935 9.543478 
1 1 1    2   15   10 o   74.999   5.3747   58.331   7.8872 7.447227 10.74945 
1 1 1    2   15   11 o   78.832   5.6928   63.555   8.9679 -3.049866 11.38553 
1 1 1    2   15   12 o   81.906   5.7591   68.935   9.4086 8.311020 11.51823 
1 1 1    2   15   13 o   67.911   6.9870   50.059   8.9088 -11.63930 13.97399 
1 1 1    2   15   14 o   49.984   9.7926   29.830   10.224 -11.72260 19.58515 
1 1 1    2   15   15 o   37.969   10.069  -1.5329   11.317 30.81800 20.13750 
1 1 1    2   15   16 o  303.963   8.7280  937.704   53.060      ?      ? 
1 1 1    2   15   17 o  106.348   5.8974  107.274   11.779 30.52805 11.79473 
1 1 1    2   15   18 o   50.376   9.9596   27.647   10.070 14.06986 19.91917 
1 1 1    2   15   19 o   53.080   12.023   27.441   11.815 20.13188 24.04694 
1 1 1    2   15   20 f  110.428   9.2791  102.405   16.098 127.5586 18.55827 
1 1 1    2   16    0 o   60.492   9.9304   42.923   10.433 0.000000 0.000000 
1 1 1    2   16    1 o   67.160   5.8405   45.717   7.7478 4.241348 11.68097 
1 1 1    2   16    2 o   95.672   4.4134   92.317   8.3687 3.554169 8.826862 
1 1 1    2   16    3 o   52.163   8.3272   29.621   8.4956 4.800011 16.65438 
1 1 1    2   16    4 o   57.303   7.3351   35.489   8.0525 11.89576 14.67020 
1 1 1    2   16    5 o   74.055   5.3554   55.735   7.9109 7.131065 10.71083 
1 1 1    2   16    6 o   69.853   6.1252   50.425   8.5221 5.023819 12.25035 
1 1 1    2   16    7 o   66.381   7.0950   47.130   9.0399 -11.31137 14.19009 
1 1 1    2   16    8 o   51.219   8.0810   30.009   8.1794 -16.85946 16.16205 
1 1 1    2   16    9 o   74.694   5.2412   57.048   7.8104 7.349976 10.48241 
1 1 1    2   16   10 f   41.295   8.6961   18.551   7.7492 6.916878 17.39223 
1 1 1    2   16   11 o   73.262   6.2208   56.153   9.0658 -9.053154 12.44168 
1 1 1    2   16   12 o   94.730   6.6110   71.379   11.062 54.73441 13.22205 
1 1 1    2   16   13 o  112.610   7.2923  130.400   16.389 10.01227 14.58456 
1 1 1    2   16   14 o   25.225   8.1230  -5.7511   9.1586 2.199715 16.24606 
1 1 1    2   16   15 o   71.693   8.1217   55.724   11.260 -15.79611 16.24350 
1 1 1    2   16   16 o   60.228   8.9072   42.199   10.259 7.788128 17.81440 
1 1 1    2   16   18 o   40.372   15.555   13.296   17.791      ?      ? 
1 1 1    2   17    0 o   35.608   14.143   19.819   14.464 0.000000 0.000000 
1 1 1    2   17    1 o   73.811   7.6242   59.410   10.700 -17.91853 15.24844 
1 1 1    2   17    2 o   64.587   9.5435   51.334   11.739 -26.43399 19.08691 
1 1 1    2   17    3 o   60.156   9.1828   40.999   10.656 -1.406456 18.36552 
1 1 1    2   17    4 o   90.649   5.6374   85.526   10.163 13.48866 11.27489 
1 1 1    2   17    5 o   59.951   9.1107   40.635   10.598 -13.25880 18.22138 
1 1 1    2   17    6 o   26.327   8.3480  -5.3171   9.0469 5.344488 16.69601 
1 1 1    2   17    7 o   45.217   10.078   19.727   10.591 15.95815 20.15560 
1 1 1    2   17    8 o   86.168   7.2095   74.103   12.260 -11.46790 14.41894 
1 1 1    2   17    9 o  120.239   4.8927  148.617   11.556 13.97743 9.785344 
1 1 1    2   17   10 o  106.435   5.5479  113.024   11.439 16.19521 11.09580 
1 1 1    2   17   11 o   40.359   9.4548   18.155   9.0487 7.803490 18.90969 
1 1 1    2   17   12 o   68.030   7.0042   49.496   9.5100 6.197922 14.00833 
1 1 1    2   17   13 o   40.116   9.5117   16.767   9.5922 15.79152 19.02347 
1 1 1    2   17   14 o   39.485   9.7404   18.188   10.112 -13.88619 19.48087 
1 1 1    2   17   15 o   56.747   9.4358   33.605   11.559 33.10806 18.87167 
1 1 1    2   18    0 f   40.109   14.932   26.697   15.572 0.000000 0.000000 
1 1 1    2   18    1 o   62.241   9.6811   44.155   11.711 -4.516460 19.36220 
1 1 1    2   18    2 o   70.572   8.7834   54.331   12.052 -13.01078 17.56682 
1 1 1    2   18    3 o   89.578   7.3430   86.105   13.119 8.425781 14.68599 
1 1 1    2   18    4 o   66.108   9.9957   52.800   12.900 16.86905 19.99141 
1 1 1    2   18    5 o   29.896   9.1825  -0.7419   10.898 -6.671530 18.36498 
1 1 1    2   18    6 o   32.102   10.034   1.1741   11.891 0.7069588 20.06731 
1 1 1    2   18    7 o   76.473   9.0720   64.108   12.558 4.588913 18.14409 
1 1 1    2   18    8 o   89.996   6.8480   88.589   12.033 -15.11185 13.69606 
1 1 1    2   18   10 o   45.382   11.443   20.183   12.884 -1.188515 22.88579 
1 1 1    2   18   11 o  100.778   14.824  110.320   29.878      ?      ? 
1 1 1    2   19    0 o  109.847   14.414  147.594   25.059 0.000000 0.000000 
1 1 1    2   19    1 o   48.893   10.066   25.219   10.482 9.121410 20.13139 
1 1 1    2   19    2 o   75.498   9.7615   66.114   13.767 37.97673 19.52300 
1 1 1    2   19    3 f   73.150   9.4205   60.332   12.876 16.36015 18.84096 
1 1 1    2   19    4 o   92.681   7.5533   98.371   12.897 16.60464 15.10658 
1 1 1    3    0    1 o  252.741   4.4527  639.589   22.448 0.000000 0.000000 
1 1 1    3    0    2 o  297.485   6.0555  884.302   30.923 0.000000 0.000000 
1 1 1    3    0    3 o  224.163   3.9644  503.705   17.746 0.000000 0.000000 
1 1 1    3    0    4 o  349.177   6.1287  1223.38   42.738 0.000000 0.000000 
1 1 1    3    0    5 o  164.844   4.1783  267.609   13.532 0.000000 0.000000 
1 1 1    3    0    6 o  311.736   5.4933  969.974   34.081 0.000000 0.000000 
1 1 1    3    0    7 o  234.743   4.1887  552.290   19.636 0.000000 0.000000 
1 1 1    3    0    8 o  108.688   2.7520  116.838   5.6514 0.000000 0.000000 
1 1 1    3    0    9 o  384.647   8.3615  1461.30   59.129 0.000000 0.000000 
1 1 1    3    0   10 o  252.927   4.5176  640.521   22.789 0.000000 0.000000 
1 1 1    3    0   11 o  363.312   7.9463  1306.49   53.107 0.000000 0.000000 
1 1 1    3    0   12 o  309.869   7.7909  965.044   47.999 0.000000 0.000000 
1 1 1    3    0   13 o  329.430   5.8611  1084.37   38.397 0.000000 0.000000 
1 1 1    3    0   14 o  290.870   5.2221  848.209   30.292 0.000000 0.000000 
1 1 1    3    0   15 o  440.194   7.7794  1947.94   68.377 0.000000 0.000000 
1 1 1    3    0   16 o  288.086   6.4640  821.866   34.283 0.000000 0.000000 
1 1 1    3    0   17 o  323.665   7.2152  1031.57   42.675 0.000000 0.000000 
1 1 1    3    0   18 o  209.865   4.1195  440.840   17.231 0.000000 0.000000 
1 1 1    3    0   19 o  315.987   7.1074  1013.36   42.728 0.000000 0.000000 
1 1 1    3    0   20 o  672.558   14.919  4398.68  178.548 0.000000 0.000000 
1 1 1    3    0   21 o  261.132   7.0219  677.223   36.257 0.000000 0.000000 
1 1 1    3    0   22 o  149.166   4.2690  224.301   12.666 0.000000 0.000000 
1 1 1    3    0   23 o  341.409   8.8337  1180.10   60.108 0.000000 0.000000 
1 1 1    3    0   24 o  216.675   4.5576  472.035   19.707 0.000000 0.000000 
1 1 1    3    0   25 o  228.845   6.5331  517.909   29.153 0.000000 0.000000 
1 1 1    3    0   26 o  381.757   10.099  1489.14   76.851 0.000000 0.000000 
1 1 1    3    0   27 o   37.199   10.539   20.676   8.9962 0.000000 0.000000 
1 1 1    3    0   28 o  172.283   4.3713  300.359   14.962 0.000000 0.000000 
1 1 1    3    0   29 o   88.052   5.7922   80.590   9.9975 0.000000 0.000000 
1 1 1    3    0   30 o   21.062   10.547 -17.8851   13.473 0.000000 0.000000 
1 1 1    3    0   31 o  215.256   4.7302  471.708   20.307 0.000000 0.000000 
1 1 1    3    0   32 o  130.848   5.2218  168.202   12.334 0.000000 0.000000 
1 1 1    3    0   33 o  137.448   5.2395  200.511   13.533 0.000000 0.000000 
1 1 1    3    1    0 o  152.441   2.7706  232.736   8.4285 0.000000 0.000000 
1 1 1    3    1    1 o  196.256   2.4613  385.285   9.6587 -2.889435 4.922619 
1 1 1    3    1    2 o  225.493   2.8136  508.557   12.682 -4.210861 5.627265 
1 1 1    3    1    3 o   76.665   1.8040   58.707   2.7640 -3.401489 3.607968 
1 1 1    3    1    4 o  319.051   7.8996  1020.56   50.408      ?      ? 
1 1 1    3    1    5 o  190.412   4.8556  362.857   18.491      ?      ? 
1 1 1    3    1    6 o  264.817   4.6838  699.863   24.745 11.62271 9.367654 
1 1 1    3    1    7 o  224.461   3.7354  476.370   15.475 31.06030 7.470871 
1 1 1    3    1    8 o  316.273   4.2486  1003.36   26.695 -5.467865 8.497198 
1 1 1    3    1    9 o  515.990   6.8999  2676.48   70.628 -5.909851 13.79971 
1 1 1    3    1   10 o  237.337   4.7182  559.209   17.878 3.512085 9.436430 
1 1 1    3    1   11 o  218.238   5.5838  477.469   24.372      ?      ? 
1 1 1    3    1   12 o  122.912   3.9981  151.298   9.8282      ?      ? 
1 1 1    3    1   13 o  297.396   4.3231  886.936   25.710 -3.089783 8.646174 
1 1 1    3    1   14 o   99.296   2.1691   98.916   4.2940 -3.571747 4.338160 
1 1 1    3    1   15 o  434.540   7.7052  1813.55   64.539 72.61133 15.41037 
1 1 1    3    1   16 o  261.563   3.6689  685.397   18.983 0.8645935 7.337891 
1 1 1    3    1   17 o  410.261   5.9503  1681.51   48.673 20.61066 11.90053 
1 1 1    3    1   18 o   93.209   3.8544   86.042   6.9941 -4.335747 7.708720 
1 1 1    3    1   19 o  407.218   7.2779  1557.28   56.182 -81.19397 14.55585 
1 1 1    3    1   20 o  484.234   8.6145  2363.76   83.428 -1.159760 17.22905 
1 1 1    3    1   21 f  246.004   4.3353  608.264   21.188 35.53789 8.670662 
1 1 1    3    1   22 o  179.226   4.8238  321.853   17.291      ?      ? 
1 1 1    3    1   23 o  225.717   4.3066  517.397   19.220 -30.47156 8.613255 
1 1 1    3    1   24 o  318.275   5.8785  992.915   36.609 -42.66080 11.75708 
1 1 1    3    1   25 o  278.125   4.8319  742.201   25.187 36.18637 9.663706 
1 1 1    3    1   26 o  138.573   3.7400  193.274   10.349 -8.442337 7.480031 
1 1 1    3    1   27 o  215.986   4.5404  469.356   19.613      ?      ? 
1 1 1    3    1   28 o   89.368   4.2933   81.741   7.5693 6.692734 8.586512 
1 1 1    3    1   29 o  133.042   4.5588  178.113   11.215 3.597778 9.117542 
1 1 1    3    1   30 o  160.475   4.3644  211.465   12.499 -71.16849 8.728749 
1 1 1    3    1   31 o  164.757   3.4589  275.718   11.235 1.319397 6.917888 
1 1 1    3    1   32 o   55.262   5.8986   31.566   6.3385 -3.649582 11.79720 
1 1 1    3    2    0 o  804.536   14.166  6545.35  227.608 0.000000 0.000000 
1 1 1    3    2    1 o  103.436   2.1142   96.787   4.1308 -30.90295 4.228317 
1 1 1    3    2    2 o  540.436   6.6788  2931.57   72.178 -5.695801 13.35754 
1 1 1    3    2    3 o  540.830   7.7338  2937.81   83.630 7.580444 15.46757 
1 1 1    3    2    4 o   75.822   2.1597   57.447   3.2733 -3.044502 4.319466 
1 1 1    3    2    5 o  383.060   5.1306  1468.24   38.859 -2.219147 10.26116 
1 1 1    3    2    6 f  313.665   4.7743  987.105   28.316 2.119324 9.548688 
1 1 1    3    2    8 o  467.602   6.7083  2193.11   62.716 5.888977 13.41661 
1 1 1    3    2    9 o  181.468   4.1825  321.003   13.678 -10.91197 8.364932 
1 1 1    3    2   10 o  394.412   6.0477  1555.14   44.561 -5.702118 12.09534 
1 1 1    3    2   11 o  493.766   6.1577  2441.67   60.606 -25.30334 12.31546 
1 1 1    3    2   12 o  306.436   4.1605  943.505   25.441 23.56885 8.321022 
1 1 1    3    2   13 o  295.393   6.0302  844.616   26.870 -15.90521 12.06032 
1 1 1    3    2   14 o  202.450   3.1156  404.298   12.426 -16.89345 6.231118 
1 1 1    3    2   15 o  378.136   6.0645  1436.31   45.692 -43.64423 12.12892 
1 1 1    3    2   16 o  246.718   4.5742  575.008   21.701 50.25020 9.148388 
1 1 1    3    2   17 o  221.884   4.2914  353.965   14.896 -105.5912 8.582867 
1 1 1    3    2   18 o  349.425   4.7923  1222.15   33.112 3.000519 9.584533 
1 1 1    3    2   19 o  430.849   6.2382  1863.22   53.753 3.236053 12.47640 
1 1 1    3    2   20 o  262.838   6.8670  692.808   36.098      ?      ? 
1 1 1    3    2   21 o  235.532   4.5812  502.515   20.097 -61.69560 9.162322 
1 1 1    3    2   22 o  350.559   7.3346  1234.17   51.424      ?      ? 
1 1 1    3    2   23 o  189.676   3.0184  363.501   11.352 -16.23291 6.036819 
1 1 1    3    2   24 o  198.625   4.9134  395.935   19.519      ?      ? 
1 1 1    3    2   25 o  215.335   6.2287  466.875   26.825      ?      ? 
1 1 1    3    2   26 o  221.633   4.0813  494.408   17.921 1.007156 8.162640 
1 1 1    3    2   27 o  147.453   5.4809  219.624   11.842 -0.3576660E-01 10.96172 
1 1 1    3    2   28 o   83.000   5.2787   74.206   7.9098 12.59277 10.55740 
1 1 1    3    2   29 o  134.851   4.1285  185.621   10.689 2.484344 8.256947 
1 1 1    3    2   30 o   89.144   9.1047   80.760   16.233      ?      ? 
1 1 1    3    2   31 o   96.349   4.0131   98.751   7.3893 25.33474 8.026288 
1 1 1    3    2   32 o   72.654   4.5213   53.745   6.3580 -4.560425 9.042569 
1 1 1    3    3    0 f  134.787   2.5958  182.119   6.9860 0.000000 0.000000 
1 1 1    3    3    1 o  126.730   2.5312  146.033   6.0671 36.03835 5.062473 
1 1 1    3    3    2 f  420.794   5.2204  1773.70   43.934 2.049622 10.44084 
1 1 1    3    3    3 o  430.830   6.9862  1791.61   56.472 44.74777 13.97235 
1 1 1    3    3    4 o  356.875   4.7750  1277.20   33.818 -4.723450 9.550071 
1 1 1    3    3    5 o  152.419   4.1914  232.428   12.777      ?      ? 
1 1 1    3    3    6 o  421.254   6.7502  1777.18   55.591 2.381256 13.50035 
1 1 1    3    3    7 o  635.562   8.5359  4031.93  106.388 -22.13757 17.07177 
1 1 1    3    3    8 o  155.639   2.6956  242.523   8.2318 0.4559937 5.391133 
1 1 1    3    3    9 o  299.055   5.2884  897.444   31.620 -4.564514 10.57670 
1 1 1    3    3   10 o  295.074   4.0281  869.159   23.389 6.797699 8.056284 
1 1 1    3    3   11 o  156.637   2.5248  244.189   7.8788 10.14165 5.049671 
1 1 1    3    3   12 o  371.102   9.3293  1386.76   69.242      ?      ? 
1 1 1    3    3   13 f  181.678   3.1985  329.399   11.184 -2.494537 6.396937 
1 1 1    3    3   14 o  298.714   4.0814  896.311   24.318 22.24771 8.162704 
1 1 1    3    3   15 o  342.286   4.6271  1172.89   31.619 -28.92358 9.254240 
1 1 1    3    3   16 o  237.543   4.0019  554.105   18.787 49.89372 8.003818 
1 1 1    3    3   17 o  471.880   6.8155  2154.82   62.516 70.12173 13.63096 
1 1 1    3    3   18 f  128.403   4.1129  131.241   8.9775 98.43235 8.225745 
1 1 1    3    3   19 o  300.693   4.5043  893.825   26.750 -24.09348 9.008582 
1 1 1    3    3   20 o  449.879   6.1130  2030.05   54.378 5.116333 12.22596 
1 1 1    3    3   21 o  371.847   4.7299  1384.28   35.096 -13.30841 9.459803 
1 1 1    3    3   22 o  227.308   4.7697  266.965   13.784 -164.4560 9.539318 
1 1 1    3    3   23 o  121.270   3.3716  148.494   8.1231 -11.79536 6.743121 
1 1 1    3    3   24 o  124.220   4.9643  154.970   12.333      ?      ? 
1 1 1    3    3   25 o  210.718   3.9843  451.932   16.573 35.41331 7.968690 
1 1 1    3    3   26 o  181.443   3.9907  332.617   13.775 1.043274 7.981441 
1 1 1    3    3   27 o  103.917   3.8901  111.477   7.9005 14.92501 7.780152 
1 1 1    3    3   28 o  133.932   3.2882  178.846   8.7543 16.12058 6.576371 
1 1 1    3    3   29 o  115.739   4.0678  134.838   9.3312 21.87146 8.135572 
1 1 1    3    3   30 o   61.237   8.2600   38.007   10.116      ?      ? 
1 1 1    3    3   31 o  103.620   3.9658  114.937   7.5319 14.35653 7.931683 
1 1 1    3    4    0 o  165.273   4.5035  274.116   14.824 0.000000 0.000000 
1 1 1    3    4    1 o  498.311   6.6649  2495.58   66.054 -13.38675 13.32977 
1 1 1    3    4    2 o  184.551   2.6006  341.744   9.5647 8.326202 5.201232 
1 1 1    3    4    3 o  216.499   3.1986  468.473   13.839 -5.702393 6.397277 
1 1 1    3    4    4 o  272.801   3.7140  740.273   19.909 -8.677979 7.427996 
1 1 1    3    4    5 f  541.231   7.2642  2941.74   77.924 -2.214905 14.52830 
1 1 1    3    4    6 o  400.556   4.9759  1607.20   39.852 -5.322479 9.951774 
1 1 1    3    4    7 o  213.381   3.9522  456.017   16.866 0.8056030 7.904448 
1 1 1    3    4    8 o  109.284   1.8880  119.263   4.1225 -5.401360 3.776003 
1 1 1    3    4    9 o  177.947   3.0766  312.170   10.594 10.53500 6.153268 
1 1 1    3    4   10 o  271.601   3.7375  735.319   19.970 8.370300 7.475027 
1 1 1    3    4   11 o  208.270   3.8308  434.676   15.954 3.597580 7.661518 
1 1 1    3    4   12 o  166.702   3.2429  278.171   10.801 -3.111786 6.485874 
1 1 1    3    4   13 o  240.317   6.3369  579.124   30.457      ?      ? 
1 1 1    3    4   14 o  278.353   3.5636  774.487   19.810 9.504425 7.127284 
1 1 1    3    4   15 o  321.151   4.9392  1048.66   30.697 19.87161 9.878455 
1 1 1    3    4   16 o  693.333   9.3060  4857.71  128.521 26.01050 18.61200 
1 1 1    3    4   17 o  374.849   6.1172  1402.48   44.526 -8.355560 12.23441 
1 1 1    3    4   18 o  260.694   3.7077  680.687   19.205 -0.5964050 7.415321 
1 1 1    3    4   19 o  406.806   5.9422  1653.86   48.149 -20.20953 11.88449 
1 1 1    3    4   20 o  193.802   3.3962  373.394   13.102 25.84433 6.792309 
1 1 1    3    4   21 o  245.886   4.3751  579.005   21.011 66.39999 8.750107 
1 1 1    3    4   22 o  235.834   4.6683  503.186   20.711 70.54474 9.336560 
1 1 1    3    4   23 o  156.533   3.1127  242.336   9.3610 -7.340652 6.225418 
1 1 1    3    4   24 o  177.551   5.0129  316.548   17.801      ?      ? 
1 1 1    3    4   25 o  239.619   4.2082  548.589   19.650 -60.71494 8.416305 
1 1 1    3    4   26 o  276.431   5.2489  770.245   29.019      ?      ? 
1 1 1    3    4   27 o  179.255   4.2037  241.443   12.446 -86.18892 8.407306 
1 1 1    3    4   28 o   96.335   6.1988   96.907   8.6886 3.703316 12.39763 
1 1 1    3    4   29 o   75.883   9.2315   60.790   14.010      ?      ? 
1 1 1    3    4   30 o  113.329   6.7045  138.286   13.792 -68.14602 13.40894 
1 1 1    3    4   31 o  137.671   4.4665  192.387   12.298      ?      ? 
1 1 1    3    4   32 o  168.832   5.2100  287.014   17.592      ?      ? 
1 1 1    3    5    0 o   63.893   4.9951   42.126   6.2281 0.000000 0.000000 
1 1 1    3    5    1 o  631.269   8.4447  4009.44  105.655 4.337280 16.88945 
1 1 1    3    5    2 o  328.935   4.1286  1083.31   27.159 -2.390503 8.257284 
1 1 1    3    5    3 o  353.251   4.4084  1249.83   31.145 1.226379 8.816813 
1 1 1    3    5    4 o  229.542   3.2110  525.844   14.517 3.741913 6.421952 
1 1 1    3    5    5 o  288.323   5.1685  833.671   29.802 1.663940 10.33708 
1 1 1    3    5    6 o  331.128   4.4975  1096.99   29.380 -4.878143 8.995030 
1 1 1    3    5    7 o  102.403   3.6313   81.977   6.1807 -83.61581 7.262580 
1 1 1    3    5    8 o  126.701   2.0558  160.623   5.2086 -3.085678 4.111559 
1 1 1    3    5    9 o  171.686   3.3993  271.700   11.103 44.86177 6.798651 
1 1 1    3    5   10 o  232.863   3.2696  542.718   15.058 1.255981 6.539149 
1 1 1    3    5   11 o  168.142   3.0572  275.292   9.8756 16.12193 6.114437 
1 1 1    3    5   12 o  191.410   3.3915  369.037   12.857 8.907562 6.783000 
1 1 1    3    5   13 o  238.684   3.3922  568.348   15.958 5.120514 6.784373 
1 1 1    3    5   14 o  181.397   3.3937  321.877   11.731 -13.15691 6.787473 
1 1 1    3    5   15 o  328.695   5.3858  1081.12   34.611 2.772827 10.77161 
1 1 1    3    5   16 o  352.363   6.2979  1246.52   44.383 1.552765 12.59577 
1 1 1    3    5   17 o  236.909   4.2164  567.135   19.801 -22.65138 8.432833 
1 1 1    3    5   18 o  222.086   5.0873  493.884   22.596      ?      ? 
1 1 1    3    5   19 f  308.507   5.4092  811.523   28.042 -84.98163 10.81841 
1 1 1    3    5   20 o  359.244   4.9620  1299.63   35.415 9.405304 9.924038 
1 1 1    3    5   21 o  285.235   4.8068  818.973   27.337 -25.34790 9.613511 
1 1 1    3    5   22 o  206.773   3.2711  424.981   13.414 13.46436 6.542215 
1 1 1    3    5   23 o  194.248   4.4448  378.638   17.268      ?      ? 
1 1 1    3    5   24 o  361.748   6.2445  1145.92   38.388 92.48706 12.48898 
1 1 1    3    5   25 o  125.916   3.2989  159.488   8.3066 -1.908241 6.597881 
1 1 1    3    5   26 o  162.999   3.3335  266.820   10.840 -7.322037 6.667044 
1 1 1    3    5   27 o  141.254   3.9267  215.006   9.7833 21.87535 7.853488 
1 1 1    3    5   28 o  118.530   4.3724  142.578   10.127 -2.062668 8.744872 
1 1 1    3    5   29 o  172.903   5.5288  300.609   19.119      ?      ? 
1 1 1    3    5   30 o   96.886   4.2954   97.683   8.1782 14.87652 8.590850 
1 1 1    3    5   31 o   74.226   6.4306   61.261   9.1374 -15.95428 12.86127 
1 1 1    3    5   32 o   17.380   8.5773 -14.1156   10.862      ?      ? 
1 1 1    3    6    0 o  158.853   4.6921  253.600   14.832 0.000000 0.000000 
1 1 1    3    6    1 o  103.025   2.6340  106.335   5.3297 0.4748459 5.268060 
1 1 1    3    6    2 o  221.246   2.9014  489.781   12.832 -4.573959 5.802881 
1 1 1    3    6    3 o  298.571   3.7761  893.503   22.548 -1.272400 7.552142 
1 1 1    3    6    4 f  176.307   3.0328  305.249   9.8963 -8.786819 6.065664 
1 1 1    3    6    5 o  252.114   3.5027  638.596   17.563 7.281250 7.005365 
1 1 1    3    6    6 o  200.326   2.9239  400.579   11.542 -3.779129 5.847816 
1 1 1    3    6    7 o  205.870   2.7576  424.349   11.352 1.767761 5.515257 
1 1 1    3    6    8 o  370.073   6.5718  1378.88   48.638 -2.253113 13.14364 
1 1 1    3    6    9 o  244.866   4.5456  599.780   22.197 9.959625 9.091236 
1 1 1    3    6   10 o  143.202   2.5885  205.734   7.2948 -1.757706 5.176971 
1 1 1    3    6   11 o  421.352   6.4284  1807.09   52.229 -22.07675 12.85681 
1 1 1    3    6   12 o  133.964   3.4111  178.652   9.1068 15.46689 6.822218 
1 1 1    3    6   13 o  509.975   6.8620  2620.89   69.712 -23.30862 13.72390 
1 1 1    3    6   14 o   68.372   7.4138   46.862   10.138      ?      ? 
1 1 1    3    6   15 o  223.296   4.5291  444.017   18.875 -70.54414 9.058188 
1 1 1    3    6   16 o  255.264   4.7975  651.681   24.464 11.75931 9.594904 
1 1 1    3    6   17 o  260.500   4.5906  669.084   22.920 -14.13705 9.181151 
1 1 1    3    6   18 o  394.090   7.1289  1562.42   56.156 7.157745 14.25778 
1 1 1    3    6   19 o  274.784   3.6755  756.767   20.200 -0.2509460 7.351098 
1 1 1    3    6   20 o  190.518   3.2490  365.080   12.318 20.84258 6.498052 
1 1 1    3    6   21 o  179.142   3.7199  311.161   12.693 -18.98312 7.439775 
1 1 1    3    6   22 o  199.268   3.5982  394.965   14.255 16.54831 7.196393 
1 1 1    3    6   24 o  208.971   4.1976  432.932   16.911 11.53554 8.395226 
1 1 1    3    6   25 o  124.156   3.3496  155.190   8.2970 -0.1355133 6.699204 
1 1 1    3    6   26 o   99.858   4.2644  100.835   8.3011 0.5942993 8.528820 
1 1 1    3    6   27 o   96.709   4.0249   95.334   7.0250 1.697273 8.049860 
1 1 1    3    6   28 o   61.296   7.1480   40.300   8.4225 2.768700 14.29590 
1 1 1    3    6   29 o   38.280   7.4477   8.0248   7.2452 -38.84373 14.89533 
1 1 1    3    6   30 o   85.032   4.7030   74.485   7.5371 38.53146 9.405949 
1 1 1    3    6   31 o  262.248   7.1333  698.085   37.414      ?      ? 
1 1 1    3    7    0 o   65.383   6.0342   45.035   7.6766 0.000000 0.000000 
1 1 1    3    7    1 o  292.030   4.3218  855.314   25.230 -5.213440 8.643695 
1 1 1    3    7    2 f   69.865   3.6979   48.887   5.1641 -3.078568 7.395793 
1 1 1    3    7    3 o  259.562   3.6419  672.699   18.607 5.602142 7.283824 
1 1 1    3    7    4 o  230.271   4.2985  531.898   19.796 -1.879364 8.597087 
1 1 1    3    7    5 o   66.803   4.3247   44.691   5.7601 1.226547 8.649408 
1 1 1    3    7    6 o  129.898   2.6073  168.857   6.7717 -2.065689 5.214581 
1 1 1    3    7    7 o  133.173   3.0237  161.763   7.5445 33.48025 6.047499 
1 1 1    3    7    8 f  117.626   3.5348  138.874   8.2785 -2.354820 7.069676 
1 1 1    3    7    9 o  254.053   3.8668  637.874   19.461 23.91730 7.733683 
1 1 1    3    7   10 o  315.737   4.9874  988.420   29.256 -9.289795 9.974756 
1 1 1    3    7   11 o  124.364   5.6981  154.907   14.173      ?      ? 
1 1 1    3    7   12 o   91.654   6.8076   84.181   12.479      ?      ? 
1 1 1    3    7   13 o  166.236   2.9002  270.768   9.4281 15.76772 5.800457 
1 1 1    3    7   14 o  272.009   5.1523  741.636   28.023 -8.002899 10.30457 
1 1 1    3    7   15 o  416.031   5.2524  1735.14   43.698 -4.970581 10.50479 
1 1 1    3    7   16 o  283.216   5.3335  793.401   29.917 27.19543 10.66703 
1 1 1    3    7   17 o  326.780   5.5494  1055.94   34.835 -16.96716 11.09877 
1 1 1    3    7   18 o  140.779   4.5846  200.735   12.786 -17.43970 9.169112 
1 1 1    3    7   19 o  308.341   4.4169  956.884   27.068 -9.673279 8.833868 
1 1 1    3    7   20 o   97.030   4.0993   95.896   7.7635 -7.184631 8.198544 
1 1 1    3    7   21 o  141.758   3.9791  194.741   10.729 15.48021 7.958236 
1 1 1    3    7   22 o   75.064   7.6221   60.999   9.9191 53.47779 15.24416 
1 1 1    3    7   23 o  317.350   5.9189  1014.13   37.415 -18.30759 11.83785 
1 1 1    3    7   24 o  138.927   4.2084  197.836   11.433 33.85259 8.416804 
1 1 1    3    7   25 o  141.196   3.9509  209.662   10.413 18.26828 7.901839 
1 1 1    3    7   26 o  150.853   3.3577  229.574   9.6263 -0.2499390E-01 6.715397 
1 1 1    3    7   27 o  159.997   3.9659  258.646   12.691      ?      ? 
1 1 1    3    7   28 o   62.871   11.810   42.078   14.304      ?      ? 
1 1 1    3    7   29 o   97.793   4.1048  100.560   7.7633 13.09203 8.209646 
1 1 1    3    7   30 o   31.144   7.4128   26.863   7.3782 19.55896 14.82555 
1 1 1    3    8    0 f  299.096   6.7259  876.943   36.570 0.000000 0.000000 
1 1 1    3    8    1 o   49.245   5.7155   26.821   5.1292 -20.66480 11.43096 
1 1 1    3    8    2 o  230.917   3.3467  526.803   15.078 -14.09026 6.693437 
1 1 1    3    8    3 o  252.600   3.3215  639.243   16.778 -2.770859 6.642952 
1 1 1    3    8    4 o  232.700   4.0697  537.658   18.346 -8.834717 8.139394 
1 1 1    3    8    5 o  231.362   4.4400  502.767   19.673 -49.82217 8.879951 
1 1 1    3    8    6 o  203.913   4.0193  393.278   15.794 -41.94135 8.038664 
1 1 1    3    8    7 o  352.122   4.4644  1242.50   31.431 4.946259 8.928826 
1 1 1    3    8    8 o  189.773   4.0190  360.786   15.252 -2.403976 8.037904 
1 1 1    3    8    9 o  270.695   3.5561  733.281   19.245 4.673401 7.112265 
1 1 1    3    8   10 o  328.219   4.1987  1078.41   27.551 5.797577 8.397450 
1 1 1    3    8   11 o  442.805   6.0256  1957.59   52.456 11.42105 12.05114 
1 1 1    3    8   12 o  268.139   5.1131  720.389   27.397 4.227112 10.22617 
1 1 1    3    8   13 o  287.718   3.8176  828.931   21.966 -2.574341 7.635208 
1 1 1    3    8   14 o   67.170   7.4227   62.622   8.7142 -63.50150 14.84543 
1 1 1    3    8   15 o  219.449   4.1519  484.626   16.983 -2.710617 8.303743 
1 1 1    3    8   16 o  177.503   4.4357  303.790   15.414 48.11145 8.871358 
1 1 1    3    8   17 o  125.814   4.0648  146.467   9.7659 -33.23683 8.129697 
1 1 1    3    8   18 o  101.152   4.4975  104.745   8.5602 6.319862 8.995066 
1 1 1    3    8   19 o  210.112   4.1452  408.848   16.047 -40.71968 8.290322 
1 1 1    3    8   20 o  305.618   5.2503  936.176   31.260 7.738007 10.50066 
1 1 1    3    8   21 o  137.233   5.8247  206.515   13.410 -23.60705 11.64950 
1 1 1    3    8   22 o  204.644   5.0262  420.687   20.572      ?      ? 
1 1 1    3    8   23 o  183.704   5.3594  349.072   14.734 6.937103 10.71876 
1 1 1    3    8   24 o  112.993   6.3404  139.916   10.654 13.63990 12.68074 
1 1 1    3    8   25 o  120.228   4.2485  151.833   9.1808 10.78965 8.497048 
1 1 1    3    8   26 o  150.605   3.7480  200.347   9.7505 -37.82457 7.495939 
1 1 1    3    8   27 o  127.994   4.3207  165.251   10.248 1.042252 8.641309 
1 1 1    3    8   28 o   83.555   4.5012   72.212   7.4140 4.601898 9.002385 
1 1 1    3    8   29 o  106.798   4.8529   98.603   8.9553 -34.77853 9.705867 
1 1 1    3    8   30 o   87.539   6.4007   78.379   11.206      ?      ? 
1 1 1    3    9    0 f  165.080   5.2819  274.744   17.349 0.000000 0.000000 
1 1 1    3    9    1 o  243.460   6.5584  594.273   31.934      ?      ? 
1 1 1    3    9    2 o  285.990   5.8866  819.767   26.901 0.1542053 11.77323 
1 1 1    3    9    3 o  237.097   4.1544  556.744   19.038 10.20192 8.308889 
1 1 1    3    9    4 o  407.849   5.1274  1667.69   41.821 -2.888977 10.25478 
1 1 1    3    9    5 o  298.195   4.1721  890.513   24.610 0.3455505 8.344279 
1 1 1    3    9    6 o  237.649   3.4640  565.095   16.286 0.8766174 6.928088 
1 1 1    3    9    7 o  226.477   3.1314  511.733   14.151 10.18372 6.262720 
1 1 1    3    9    8 f  276.127   4.7999  725.899   24.555 35.22021 9.599897 
1 1 1    3    9    9 o  289.969   4.1051  844.498   23.682 8.568787 8.210237 
1 1 1    3    9   10 o  218.617   3.4171  479.249   14.815 2.739731 6.834270 
1 1 1    3    9   11 o  446.692   6.0948  1999.04   53.778 -4.905518 12.18951 
1 1 1    3    9   12 o  128.941   5.4552  131.404   12.029 96.46340 10.91039 
1 1 1    3    9   13 o  299.723   4.3798  895.024   25.826 -9.566437 8.759672 
1 1 1    3    9   14 o  169.128   6.6136  286.869   22.371      ?      ? 
1 1 1    3    9   15 o  137.883   4.9245  191.002   13.567 -2.268631 9.849031 
1 1 1    3    9   16 o  335.596   8.8355  1133.19   59.303      ?      ? 
1 1 1    3    9   17 o  118.030   7.5038  140.220   17.713      ?      ? 
1 1 1    3    9   18 o  192.497   4.5564  382.025   17.052 -27.38342 9.112863 
1 1 1    3    9   19 o  146.454   3.5567  219.068   10.159 13.04555 7.113313 
1 1 1    3    9   20 f  128.063   4.1764  164.963   10.691 4.680145 8.352725 
1 1 1    3    9   21 o  179.801   4.3329  332.040   14.987 14.39661 8.665769 
1 1 1    3    9   22 o  116.337   3.3621  135.778   7.7679 -3.080894 6.724218 
1 1 1    3    9   23 o  100.961   4.0283  106.318   7.7276 11.81919 8.056682 
1 1 1    3    9   24 o  120.589   3.9028  129.979   8.4877 -32.10446 7.805688 
1 1 1    3    9   25 o  121.192   3.7824  144.537   9.0051 20.17726 7.564866 
1 1 1    3    9   26 o  193.583   3.7073  373.995   14.292 -13.81641 7.414657 
1 1 1    3    9   27 f   93.650   4.5022   89.747   8.4171 2.017036 9.004458 
1 1 1    3    9   28 o   82.612   6.6812   72.110   10.249 -0.3503342 13.36241 
1 1 1    3    9   29 o  229.719   5.1906  503.428   22.475 110.2132 10.38121 
1 1 1    3   10    0 o  197.316   4.1579  390.668   16.374 0.000000 0.000000 
1 1 1    3   10    1 o  165.750   3.9556  275.016   13.110 3.608841 7.911120 
1 1 1    3   10    2 o  276.943   3.9748  770.671   21.903 -10.81070 7.949658 
1 1 1    3   10    3 o  253.112   4.8858  642.057   24.733 -0.9394531 9.771693 
1 1 1    3   10    4 o  233.821   3.5108  549.186   16.333 8.845886 7.021663 
1 1 1    3   10    5 o  262.810   3.7989  692.864   19.815 -3.847351 7.597898 
1 1 1    3   10    6 o  121.513   3.0925  147.708   7.4500 0.5331650 6.184970 
1 1 1    3   10    7 o  156.337   3.3275  244.082   10.384 -13.75702 6.654930 
1 1 1    3   10    8 o  220.173   4.2955  452.615   17.322 36.01257 8.590998 
1 1 1    3   10    9 o  176.732   3.3564  313.868   11.633 -3.571426 6.712771 
1 1 1    3   10   10 o  431.226   7.0297  1879.47   60.168 -23.19022 14.05948 
1 1 1    3   10   11 o  129.135   4.5908  166.403   11.606 36.30055 9.181648 
1 1 1    3   10   12 o  289.910   7.9824  844.075   46.284      ?      ? 
1 1 1    3   10   13 o  130.014   3.8773  168.841   9.8563 2.162338 7.754524 
1 1 1    3   10   14 o  306.556   5.8995  870.445   34.166 -72.09525 11.79901 
1 1 1    3   10   15 o  174.413   3.5186  306.005   12.229 -8.530075 7.037232 
1 1 1    3   10   16 o  169.042   4.7387  287.230   16.010 -8.539658 9.477320 
1 1 1    3   10   17 o  195.563   3.4636  384.310   13.467 -2.396713 6.927258 
1 1 1    3   10   18 f  154.978   4.3500  224.493   12.937 58.85670 8.699970 
1 1 1    3   10   19 o  147.948   3.7106  207.518   10.497 27.60498 7.421266 
1 1 1    3   10   20 o   93.061   5.4202   93.471   9.0965 -15.67342 10.84042 
1 1 1    3   10   21 o  110.309   4.0067  124.019   8.6813 5.990158 8.013378 
1 1 1    3   10   22 o   83.474   5.2619   72.974   8.4238 9.714394 10.52378 
1 1 1    3   10   23 o   99.701   4.4559   97.903   8.7241 -16.85792 8.911815 
1 1 1    3   10   24 o   56.897   8.2225   34.683   9.1701 -19.56170 16.44510 
1 1 1    3   10   25 o  145.653   4.7815  203.208   13.369 58.17097 9.562923 
1 1 1    3   10   26 o   36.563   8.8399   12.901   7.5056 -10.19754 17.67986 
1 1 1    3   10   27 o   77.474   5.8725   63.235   9.0735 6.989464 11.74496 
1 1 1    3   10   28 o   84.922   7.3017   73.312   10.997 -1.360641 14.60335 
1 1 1    3   11    0 o  189.229   5.3053  349.314   18.419 0.000000 0.000000 
1 1 1    3   11    1 o  190.960   3.0432  364.933   11.621 -2.002731 6.086433 
1 1 1    3   11    2 o  126.150   4.0356  154.070   9.9434 -18.90856 8.071239 
1 1 1    3   11    3 o  131.748   5.1094  154.266   11.888 -90.10813 10.21877 
1 1 1    3   11    4 o   64.692   6.3425   46.807   7.2099 -22.86445 12.68505 
1 1 1    3   11    5 o  174.809   3.0245  305.853   10.573 -0.1680603 6.049062 
1 1 1    3   11    6 o  188.585   3.1110  351.768   11.658 -20.29370 6.222075 
1 1 1    3   11    7 o  123.141   4.0452  150.940   9.9274 9.894699 8.090329 
1 1 1    3   11    8 o  233.783   4.8533  510.857   21.826 59.89447 9.706674 
1 1 1    3   11    9 o  113.474   5.6077  130.628   12.596 -13.19365 11.21546 
1 1 1    3   11   10 o   67.390   6.6980   47.524   8.5168 18.53477 13.39604 
1 1 1    3   11   11 o   44.387   8.8673   13.760   11.904 -37.16698 17.73453 
1 1 1    3   11   12 o  184.830   3.8977  331.218   13.503 -16.75009 7.795343 
1 1 1    3   11   13 o  185.705   3.8148  345.271   14.129 5.127426 7.629565 
1 1 1    3   11   14 o  144.253   3.7140  210.083   10.413 -3.781952 7.427924 
1 1 1    3   11   15 o  135.467   3.8842  186.319   10.241 -6.916916 7.768455 
1 1 1    3   11   16 o  113.415   4.7086  131.161   9.7598 -3.791260 9.417131 
1 1 1    3   11   17 o   69.744   5.8785   50.078   8.0445 -6.989662 11.75708 
1 1 1    3   11   18 o   76.828   5.7615   62.653   8.2200 11.46697 11.52291 
1 1 1    3   11   19 o   80.273   4.5162   65.587   7.2058 7.741776 9.032394 
1 1 1    3   11   20 o   77.173   4.9395   59.801   7.5492 -6.943115 9.879082 
1 1 1    3   11   21 o  104.146   5.7359  113.907   11.415 -10.03191 11.47176 
1 1 1    3   11   22 o   60.324   8.0478   52.600   9.3629 -48.87007 16.09565 
1 1 1    3   11   23 o   94.819   5.5002   92.404   10.389 -4.774437 11.00043 
1 1 1    3   11   24 o  105.859   8.0464  121.637   14.493 69.42512 16.09273 
1 1 1    3   11   25 o   57.079   11.671   36.896   12.863      ?      ? 
1 1 1    3   11   26 o   50.940   8.8276   33.268   9.5316 20.93242 17.65512 
1 1 1    3   11   27 o  140.209   4.4932  194.813   12.355 -21.75256 8.986329 
1 1 1    3   12    0 o  151.040   4.7249  230.059   14.185 0.000000 0.000000 
1 1 1    3   12    1 o  253.948   4.6963  643.632   23.276 5.382126 9.392656 
1 1 1    3   12    2 o  147.664   4.4642  218.550   13.179 5.759552 8.928419 
1 1 1    3   12    3 o  128.774   3.9043  165.589   10.036 -7.288185 7.808540 
1 1 1    3   12    4 o  107.867   4.1866  113.733   8.9099 -16.80713 8.373185 
1 1 1    3   12    5 o  271.101   4.1064  734.803   21.988 -4.477417 8.212769 
1 1 1    3   12    6 o  127.536   5.1391  174.051   12.267 -34.76450 10.27816 
1 1 1    3   12    7 o  106.296   5.9279  113.630   12.581 0.7787552 11.85583 
1 1 1    3   12    8 o  115.221   5.7489  126.596   12.570 52.11805 11.49785 
1 1 1    3   12    9 o   78.444   4.7628   61.564   7.4581 -5.044785 9.525572 
1 1 1    3   12   10 o   99.179   3.8276   98.745   7.5841 1.073959 7.655253 
1 1 1    3   12   11 o   90.096   4.0474   81.455   7.2888 -2.380165 8.094828 
1 1 1    3   12   12 o  150.881   3.3970  227.134   10.152 5.562897 6.793975 
1 1 1    3   12   13 o   75.727   7.5496   69.847   8.9067 -28.56417 15.09919 
1 1 1    3   12   14 o   57.559   6.3032   33.300   7.2085 -3.648685 12.60630 
1 1 1    3   12   15 f   77.609   5.5092   61.885   8.3556 6.819954 11.01832 
1 1 1    3   12   16 f   66.269   6.0678   46.871   7.4697 21.05064 12.13552 
1 1 1    3   12   17 o  103.064   4.5975  109.145   9.2985 -10.31544 9.194956 
1 1 1    3   12   18 o  105.112   4.4548  112.905   8.9987 -3.478806 8.909663 
1 1 1    3   12   19 o  153.844   3.6474  239.545   11.139 2.900772 7.294829 
1 1 1    3   12   20 o  107.473   5.1849  118.188   11.039 -0.5068970E-01 10.36976 
1 1 1    3   12   21 o   53.443   9.2465   35.516   10.058 -20.47252 18.49306 
1 1 1    3   12   22 o  156.238   5.8653  266.680   16.143 -30.25835 11.73061 
1 1 1    3   12   23 o   68.479   8.1476   55.694   10.066 -23.70133 16.29519 
1 1 1    3   12   24 o   81.219   7.1495   71.969   11.400 -15.45172 14.29901 
1 1 1    3   12   25 o   29.844   9.5111  -2.9729   13.177 12.93355 19.02215 
1 1 1    3   13    0 o  198.818   5.7601  402.220   21.963 0.000000 0.000000 
1 1 1    3   13    1 f  132.788   7.3433  177.133   19.502      ?      ? 
1 1 1    3   13    2 o  104.664   6.4622  114.221   12.444 -52.23205 12.92443 
1 1 1    3   13    3 o  117.289   6.2040  138.083   14.553      ?      ? 
1 1 1    3   13    4 o  138.223   3.6525  191.258   9.9855 -1.620804 7.305006 
1 1 1    3   13    5 o  104.407   6.1012  110.849   12.492 -25.51915 12.20232 
1 1 1    3   13    6 o  211.962   3.5598  448.776   14.855 -4.911682 7.119514 
1 1 1    3   13    7 o   68.547   5.6503   46.433   7.6294 -7.676872 11.30058 
1 1 1    3   13    8 f   89.592   4.1003   80.680   7.3338 0.9682846 8.200621 
1 1 1    3   13    9 o   99.533   3.7290   99.301   7.4158 -5.883926 7.458048 
1 1 1    3   13   10 o   71.947   4.8260   52.406   6.9154 5.021851 9.651904 
1 1 1    3   13   11 f  198.653   3.1915  395.595   12.672 -4.660568 6.382987 
1 1 1    3   13   12 o   92.673   3.9803   86.371   7.3495 -0.8976746 7.960529 
1 1 1    3   13   13 f   73.659   4.9020   56.952   6.9037 21.88852 9.803934 
1 1 1    3   13   14 o   99.992   3.6125  100.771   7.2093 0.1748581 7.225092 
1 1 1    3   13   15 o   75.886   7.5558   63.203   9.8007 -10.92871 15.11163 
1 1 1    3   13   16 o   91.974   4.4754   83.961   8.0897 -10.13206 8.950818 
1 1 1    3   13   17 f   78.048   6.6774   63.176   9.3189 -1.699486 13.35472 
1 1 1    3   13   18 o  108.035   4.8766  119.836   10.452 -6.382927 9.753294 
1 1 1    3   13   19 o   37.065   8.9906   13.608   7.9827 7.704315 17.98121 
1 1 1    3   13   20 o   79.080   8.7852   67.579   12.560 48.76131 17.57048 
1 1 1    3   13   21 f   30.317   9.4709   0.4218   10.836 15.35837 18.94176 
1 1 1    3   13   22 o   56.397   9.5975   36.946   10.507 -1.472023 19.19497 
1 1 1    3   13   23 o  141.459   6.4590  207.413   17.849 -41.88158 12.91791 
1 1 1    3   13   24 o  145.143   9.1891  215.560   26.675      ?      ? 
1 1 1    3   14    0 o   31.264   11.194   13.335   9.8557 0.000000 0.000000 
1 1 1    3   14    1 o   44.386   6.5854   0.1259   10.275 -55.34813 13.17078 
1 1 1    3   14    2 o   70.878   7.3290   57.183   8.8600 20.17320 14.65808 
1 1 1    3   14    3 o  250.764   3.8880  633.194   19.334 4.043335 7.775959 
1 1 1    3   14    4 f   79.318   4.8432   63.446   7.6811 0.8475189 9.686337 
1 1 1    3   14    5 o  244.560   3.5476  600.034   17.338 -7.310883 7.095168 
1 1 1    3   14    6 o  120.365   5.0100  145.474   12.060      ?      ? 
1 1 1    3   14    7 o   69.269   6.9319   46.986   9.4190 14.31320 13.86389 
1 1 1    3   14    8 o   29.761   8.5696   3.3751   8.2972 -5.070969 17.13910 
1 1 1    3   14    9 o  136.094   3.6694  185.719   9.9727 -4.539581 7.338891 
1 1 1    3   14   10 o   71.943   5.1391   52.527   7.3577 8.295479 10.27815 
1 1 1    3   14   11 o  113.794   3.5029  130.213   7.9531 -3.014626 7.005760 
1 1 1    3   14   12 o   69.295   5.5850   48.449   7.6816 -4.998856 11.17003 
1 1 1    3   14   13 o   42.832   8.3669   18.981   7.5597 -14.28816 16.73389 
1 1 1    3   14   14 o   56.856   6.4167   33.259   7.2927 -2.013657 12.83339 
1 1 1    3   14   15 o   65.894   6.6832   45.130   8.7846 1.224899 13.36635 
1 1 1    3   14   16 o   64.544   7.6454   44.052   9.3599 -1.252373 15.29070 
1 1 1    3   14   17 o  130.105   4.6810  178.229   11.862 18.65957 9.361946 
1 1 1    3   14   18 o  120.447   8.1856  146.961   19.719      ?      ? 
1 1 1    3   14   20 o   78.607   8.0706   67.853   12.653 7.494499 16.14113 
1 1 1    3   14   21 o   72.024   7.7062   55.980   10.530 24.91979 15.41242 
1 1 1    3   14   22 o  127.418   9.1090  161.587   18.481 106.5497 18.21800 
1 1 1    3   15    0 o  139.248   5.8687  190.751   14.707 0.000000 0.000000 
1 1 1    3   15    1 f  110.207   4.7028  123.671   10.168 -6.642075 9.405581 
1 1 1    3   15    2 o  122.794   4.6077  154.356   11.108 -13.11483 9.215343 
1 1 1    3   15    3 o  104.355   4.2405  108.974   8.7735 4.895767 8.481054 
1 1 1    3   15    4 o  134.562   3.3764  182.107   9.0830 2.028793 6.752800 
1 1 1    3   15    5 o   66.863   5.9477   45.298   7.9194 8.540455 11.89548 
1 1 1    3   15    6 o   73.501   4.8835   54.352   7.1444 -9.647789 9.766974 
1 1 1    3   15    7 o   28.187   8.1305   2.6256   7.5554 6.191877 16.26108 
1 1 1    3   15    8 o   65.280   6.9109   44.808   8.3721 3.305412 13.82180 
1 1 1    3   15    9 o   92.751   4.8626   88.679   8.4351 4.353615 9.725108 
1 1 1    3   15   10 o   97.475   4.0245   96.116   7.8457 -0.6529465 8.049076 
1 1 1    3   15   11 o   66.831   7.0402   47.605   9.0158 -12.24189 14.08034 
1 1 1    3   15   12 o   98.341   5.8978   97.855   11.026 4.786255 11.79570 
1 1 1    3   15   13 o   48.030   8.8364   25.850   8.5639 -4.244041 17.67276 
1 1 1    3   15   14 o   81.315   5.6094   68.668   9.1044 -3.450768 11.21878 
1 1 1    3   15   15 o   69.623   6.9012   49.195   9.4942 -15.20796 13.80248 
1 1 1    3   15   16 o   61.859   10.995   42.007   13.630 -7.182110 21.99084 
1 1 1    3   15   17 o   89.148   7.3988   85.009   13.148 -4.750656 14.79762 
1 1 1    3   15   18 o   81.943   8.7508   62.316   12.758 50.55898 17.50162 
1 1 1    3   15   19 o   32.444   9.8120   2.1353   11.397 11.73216 19.62395 
1 1 1    3   15   20 o   89.995   10.603   83.144   19.083      ?      ? 
1 1 1    3   16    0 o   28.984   11.512   12.009   10.013 0.000000 0.000000 
1 1 1    3   16    1 o   42.673   9.0797   19.042   8.0180 3.889545 18.15946 
1 1 1    3   16    2 o   53.155   8.4149   29.685   8.2967 4.753410 16.82987 
1 1 1    3   16    3 o   51.891   8.4487   29.425   8.6566 11.64434 16.89735 
1 1 1    3   16    4 o   77.807   5.6543   63.450   8.5573 11.69463 11.30851 
1 1 1    3   16    5 o  106.829   4.0950  115.231   8.7169 12.97681 8.190032 
1 1 1    3   16    6 o   80.131   5.4129   65.799   8.6464 1.088577 10.82570 
1 1 1    3   16    7 o   42.081   9.2430   19.135   8.7613 -7.867710 18.48591 
1 1 1    3   16    8 o   49.159   8.0388   26.225   7.7587 8.955479 16.07756 
1 1 1    3   16    9 o   65.641   5.9355   44.635   7.7585 -1.301308 11.87097 
1 1 1    3   16   10 o   36.308   9.0247   13.268   8.1396 -2.242840 18.04936 
1 1 1    3   16   11 o   62.317   7.4537   42.059   9.1007 -3.271587 14.90738 
1 1 1    3   16   12 o   74.737   9.1529   58.518   13.282 13.57128 18.30587 
1 1 1    3   16   13 o   64.967   10.113   49.132   14.383 45.00966 20.22545 
1 1 1    3   16   14 o   86.754   7.3073   79.862   12.592 14.11726 14.61457 
1 1 1    3   16   15 o   76.714   7.3475   63.015   11.154 -2.903000 14.69495 
1 1 1    3   16   16 o   39.491   10.291   14.806   11.516 -14.28693 20.58270 
1 1 1    3   16   17 o   25.242   8.2439 -12.0201   10.462 12.99822 16.48780 
1 1 1    3   16   18 o   56.043   11.625   32.994   13.177 19.90147 23.24924 
1 1 1    3   17    0 o   23.384   11.117  -4.8510   13.401 0.000000 0.000000 
1 1 1    3   17    1 o   73.749   8.3131   61.455   11.151 -12.97871 16.62626 
1 1 1    3   17    2 o   53.897   9.2649   35.700   9.9369 -18.20491 18.52983 
1 1 1    3   17    3 o   72.694   6.7917   55.322   9.5565 3.064087 13.58344 
1 1 1    3   17    4 o   40.801   10.287   18.297   10.481 -0.1947365 20.57478 
1 1 1    3   17    5 o   38.067   9.2655   12.056   9.5095 19.11073 18.53101 
1 1 1    3   17    6 o   24.082   7.8076 -15.8321   9.3347 11.55599 15.61514 
1 1 1    3   17    7 o   60.894   8.5161   41.972   10.027 30.99098 17.03223 
1 1 1    3   17    8 o   96.615   6.9413   97.688   13.013 11.29202 13.88253 
1 1 1    3   17    9 o   60.621   8.6277   44.247   10.353 37.16325 17.25546 
1 1 1    3   17   10 o   44.378   9.2962   22.256   8.8400 1.148468 18.59238 
1 1 1    3   17   11 o   42.418   9.3878   20.618   9.0053 -7.977894 18.77552 
1 1 1    3   17   12 o   50.428   9.5350   29.947   9.7831 2.293125 19.07006 
1 1 1    3   17   13 o   57.064   8.7533   38.250   9.7120 5.528839 17.50657 
1 1 1    3   17   14 o   37.068   10.180   11.286   10.633 1.942364 20.35994 
1 1 1    3   17   15 o   86.098   6.3845   78.895   10.747 8.824051 12.76902 
1 1 1    3   18    0 o  124.338   6.8414  156.527   16.436 0.000000 0.000000 
1 1 1    3   18    1 o   61.787   9.0213   43.363   10.709 -2.564621 18.04265 
1 1 1    3   18    2 o   93.553   6.7889   92.704   12.678 3.268227 13.57783 
1 1 1    3   18    3 o   54.010   10.376   34.793   11.580 -9.211216 20.75141 
1 1 1    3   18    4 o   49.317   10.078   28.611   11.488 22.57504 20.15700 
1 1 1    3   18    5 o   39.096   10.472   15.190   11.271 1.189209 20.94385 
1 1 1    3   18    6 o   29.719   9.6660  -4.8259   11.753 4.588182 19.33206 
1 1 1    3   18    7 o   65.652   10.594   49.581   12.368 3.059303 21.18785 
1 1 1    3   18    8 o   51.932   10.814   36.195   12.592 -16.32991 21.62729 
1 1 1    3   18    9 o   19.554   6.9074   18.800   11.217 -0.1195431 13.81489 
1 1 1    3   18   10 o   34.479   9.7624   4.4180   11.181 10.47900 19.52486 
1 1 1    3   18   11 o   62.598   13.546   51.790   18.689 -7.747936 27.09130 
1 1 1    3   19    0 o   33.810   13.715   15.780   14.638 0.000000 0.000000 
1 1 1    3   19    1 o   40.145   11.406   9.2808   14.254 6.646488 22.81280 
1 1 1    3   19    2 o   39.947   10.972   12.514   12.522 -2.805531 21.94344 
1 1 1    3   19    3 o   85.174   7.4634   77.489   12.570 1.045883 14.92672 
1 1 1    3   19    4 o   30.022   9.4636   37.903   13.371 -17.48038 18.92729 
1 1 1    4    0    0 o  328.950   8.1986  1087.96   53.792 0.000000 0.000000 
1 1 1    4    0    1 o   72.430   1.7445   52.643   2.5203 0.000000 0.000000 
1 1 1    4    0    2 o   17.664   4.7552   4.6014   1.7737 0.000000 0.000000 
1 1 1    4    0    3 o  213.331   4.6168  461.430   18.863 0.000000 0.000000 
1 1 1    4    0    4 o  235.169   4.1814  554.292   19.634 0.000000 0.000000 
1 1 1    4    0    5 o  463.771   8.1283  2159.12   75.287 0.000000 0.000000 
1 1 1    4    0    6 o  375.635   6.6157  1415.32   49.633 0.000000 0.000000 
1 1 1    4    0    7 o  259.866   5.7102  657.274   26.891 0.000000 0.000000 
1 1 1    4    0    8 o  294.041   5.2091  867.033   30.591 0.000000 0.000000 
1 1 1    4    0    9 o   68.386   3.7633   46.910   4.2016 0.000000 0.000000 
1 1 1    4    0   10 o  311.480   6.7857  966.784   39.307 0.000000 0.000000 
1 1 1    4    0   11 o   35.517   9.3350   17.036   6.1289 0.000000 0.000000 
1 1 1    4    0   12 o  223.751   4.1102  499.885   18.297 0.000000 0.000000 
1 1 1    4    0   13 o  203.667   5.2737  417.076   21.404 0.000000 0.000000 
1 1 1    4    0   14 o  127.621   2.9784  163.082   7.5697 0.000000 0.000000 
1 1 1    4    0   15 o   79.535   4.9897   67.973   7.1019 0.000000 0.000000 
1 1 1    4    0   16 o  201.950   3.9360  408.457   15.857 0.000000 0.000000 
1 1 1    4    0   17 o  578.944   12.619  3357.61  135.864 0.000000 0.000000 
1 1 1    4    0   18 o  335.501   7.5049  1114.04   46.431 0.000000 0.000000 
1 1 1    4    0   19 o  278.175   5.1534  775.919   28.613 0.000000 0.000000 
1 1 1    4    0   20 o  411.683   9.0667  1727.30   71.225 0.000000 0.000000 
1 1 1    4    0   21 o  216.096   6.3792  468.843   27.517 0.000000 0.000000 
1 1 1    4    0   22 o  235.068   5.6938  547.922   25.233 0.000000 0.000000 
1 1 1    4    0   23 o   63.818   8.1503   43.224   9.2813 0.000000 0.000000 
1 1 1    4    0   24 o  201.222   5.4773  413.375   20.769 0.000000 0.000000 
1 1 1    4    0   25 f  208.835   4.5476  438.633   18.949 0.000000 0.000000 
1 1 1    4    0   26 o  141.874   7.0603  209.346   19.404 0.000000 0.000000 
1 1 1    4    0   27 o  183.783   5.2857  335.889   17.990 0.000000 0.000000 
1 1 1    4    0   28 o  197.652   4.4935  394.633   17.703 0.000000 0.000000 
1 1 1    4    0   29 o  124.155   6.7769  159.321   14.630 0.000000 0.000000 
1 1 1    4    0   30 o  189.873   6.4982  359.558   24.302 0.000000 0.000000 
1 1 1    4    0   31 o   22.870   10.175   2.8056   9.8662 0.000000 0.000000 
1 1 1    4    0   32 o  115.351   5.2250  136.463   11.901 0.000000 0.000000 
1 1 1    4    1    0 o  581.534   10.207  3404.30  118.525 0.000000 0.000000 
1 1 1    4    1    1 o  184.075   2.3298  338.888   8.5745 2.699951 4.659506 
1 1 1    4    1    2 o  262.047   3.2633  687.344   17.103 -0.7063599 6.526680 
1 1 1    4    1    3 o  280.010   3.6094  779.924   19.387 6.112457 7.218775 
1 1 1    4    1    4 o  311.086   4.1816  964.924   25.602 7.023651 8.363179 
1 1 1    4    1    5 o  485.449   6.0031  2361.67   58.284 -0.3991394 12.00621 
1 1 1    4    1    6 o  468.562   7.0494  2230.52   63.831 25.90668 14.09878 
1 1 1    4    1    9 o  363.124   5.5432  1314.95   37.726 5.341888 11.08644 
1 1 1    4    1   10 o  288.338   4.1846  832.239   24.101 8.174835 8.369277 
1 1 1    4    1   11 o  258.436   3.5324  669.880   18.115 -2.246399 7.064850 
1 1 1    4    1   12 o  275.005   4.0127  751.099   21.901 20.82657 8.025448 
1 1 1    4    1   13 f  112.169   2.9716   88.617   5.5908 76.20309 5.943293 
1 1 1    4    1   14 o  201.627   3.7998  387.985   14.812 36.74860 7.599680 
1 1 1    4    1   15 o  322.540   4.0850  1041.71   26.339 7.364136 8.169982 
1 1 1    4    1   16 f  270.955   3.4923  735.035   18.925 -0.2011108 6.984661 
1 1 1    4    1   17 o  451.770   6.1015  2046.74   54.507 -1.167999 12.20303 
1 1 1    4    1   18 o  278.087   3.9317  769.104   21.446 -9.574066 7.863348 
1 1 1    4    1   19 o  319.070   5.2972  1027.49   33.460 -16.83795 10.59445 
1 1 1    4    1   20 o  351.746   6.4461  1048.90   39.781 -114.3888 12.89227 
1 1 1    4    1   21 f  280.909   4.0572  789.538   22.483 -2.833923 8.114400 
1 1 1    4    1   22 f  315.526   6.0039  821.661   32.800 -114.2069 12.00786 
1 1 1    4    1   23 o  423.542   8.8159  1860.73   66.591 -21.34653 17.63174 
1 1 1    4    1   24 o  129.211   4.3774  176.589   10.484 -20.73014 8.754827 
1 1 1    4    1   25 o  171.514   3.5215  295.292   12.063 1.315521 7.042953 
1 1 1    4    1   26 o   96.781   5.9287   94.351   11.476      ?      ? 
1 1 1    4    1   27 f  146.363   3.3480  208.744   9.6406 30.66754 6.696002 
1 1 1    4    1   28 o  117.323   4.5598  136.507   9.9714 59.67336 9.119654 
1 1 1    4    1   29 o   48.866   9.2581   27.373   9.3563 9.929935 18.51614 
1 1 1    4    1   30 o  330.605   5.1559  1090.67   33.771 -30.23438 10.31174 
1 1 1    4    1   31 o  234.526   4.0351  556.689   18.850 18.87854 8.070234 
1 1 1    4    1   32 o   41.177   8.5734   19.591   7.5949 -5.377361 17.14676 
1 1 1    4    2    0 o  480.723   8.4477  2320.78   81.077 0.000000 0.000000 
1 1 1    4    2    1 o  269.006   3.3515  724.290   18.031 -0.8891296 6.703010 
1 1 1    4    2    2 o   63.934   1.6296   40.881   2.0837 -0.7465515 3.259299 
1 1 1    4    2    3 o  479.317   5.9249  2302.72   56.793 3.524078 11.84971 
1 1 1    4    2    4 o  214.070   2.9178  459.713   12.430 6.284576 5.835625 
1 1 1    4    2    5 o  289.241   5.1156  837.640   29.588 -3.218964 10.23111 
1 1 1    4    2    6 o  161.807   3.0745  226.988   9.0553 -52.41948 6.148973 
1 1 1    4    2    7 o  328.737   5.3192  1081.23   34.186 -1.978851 10.63840 
1 1 1    4    2    8 o  145.711   2.6813  213.414   7.7111 -4.377747 5.362668 
1 1 1    4    2    9 o  608.661   9.8012  3744.90  116.920 -2.664856 19.60232 
1 1 1    4    2   10 f  199.408   4.3274  393.363   14.692 4.907837 8.654883 
1 1 1    4    2   11 o  247.139   4.5058  596.905   21.848 31.81590 9.011599 
1 1 1    4    2   12 o  168.843   3.4400  236.694   10.436 69.09309 6.879908 
1 1 1    4    2   13 o  222.365   4.3137  334.338   14.662 120.7633 8.627377 
1 1 1    4    2   14 o  182.171   2.9241  332.046   10.630 -1.806625 5.848275 
1 1 1    4    2   15 o  269.726   3.7463  725.607   19.928 6.770691 7.492503 
1 1 1    4    2   16 o  200.317   2.9520  402.385   11.801 -7.800247 5.903983 
1 1 1    4    2   17 o  256.686   4.7149  659.943   24.200 5.726074 9.429772 
1 1 1    4    2   18 o  254.242   4.7736  564.603   22.057 78.04442 9.547212 
1 1 1    4    2   19 o  244.928   4.0342  587.793   18.421 14.22012 8.068492 
1 1 1    4    2   20 o  144.974   3.4971  205.196   9.9983 22.32486 6.994104 
1 1 1    4    2   21 o  177.407   4.2204  315.160   14.974      ?      ? 
1 1 1    4    2   22 o  276.513   5.2240  683.644   26.419 -73.67136 10.44807 
1 1 1    4    2   23 o  231.478   4.6159  421.293   17.932 -95.20828 9.231849 
1 1 1    4    2   24 o  204.198   3.5585  415.277   14.413 -12.15556 7.117064 
1 1 1    4    2   25 o  152.165   2.9190  233.285   8.7953 -4.887299 5.838015 
1 1 1    4    2   26 o   97.108   6.0777   95.187   11.804      ?      ? 
1 1 1    4    2   27 o  123.151   4.5269  152.210   9.7584 1.766159 9.053701 
1 1 1    4    2   28 o  103.123   4.1201  108.430   8.4269 14.90640 8.240236 
1 1 1    4    2   29 o   99.570   4.3622  100.505   8.5726 22.37205 8.724464 
1 1 1    4    2   31 o  196.260   4.4622  387.210   17.315 35.72813 8.924441 
1 1 1    4    2   32 o   79.481   5.3822   59.683   7.8685 -35.93764 10.76441 
1 1 1    4    3    0 o  195.901   4.3119  389.678   16.252 0.000000 0.000000 
1 1 1    4    3    1 o  169.088   3.0948  285.213   10.443 -7.301407 6.189670 
1 1 1    4    3    2 o  416.293   6.6648  1730.57   54.069 -6.952454 13.32957 
1 1 1    4    3    3 o  208.557   3.7319  435.294   15.566 -0.1398773 7.463796 
1 1 1    4    3    4 f  317.304   5.0957  1012.28   31.883 -8.006653 10.19144 
1 1 1    4    3    5 o  451.492   6.4736  2043.38   58.455 -2.557587 12.94729 
1 1 1    4    3    6 o  217.930   5.6501  475.448   24.626      ?      ? 
1 1 1    4    3    7 o  221.923   5.6269  493.130   24.975      ?      ? 
1 1 1    4    3    8 o  329.695   4.4438  1090.02   29.035 1.971558 8.887546 
1 1 1    4    3    9 o  119.316   2.4350  142.127   5.8028 6.120369 4.870080 
1 1 1    4    3   10 o  278.625   3.8445  749.708   20.390 31.66913 7.688950 
1 1 1    4    3   11 o  104.851   2.5902  110.974   5.0919 2.540787 5.180487 
1 1 1    4    3   12 o  157.742   4.2454  249.184   13.394      ?      ? 
1 1 1    4    3   13 o   66.835   3.3502   47.075   3.5587 5.866383 6.700308 
1 1 1    4    3   14 o  218.243   3.3991  481.416   13.491 5.072235 6.798241 
1 1 1    4    3   15 o  253.169   4.7018  520.357   20.559 97.16122 9.403614 
1 1 1    4    3   16 o  167.567   3.2863  279.520   10.830 42.09933 6.572556 
1 1 1    4    3   17 o  489.836   6.5764  2407.98   64.289 44.03082 13.15271 
1 1 1    4    3   18 o  190.369   3.3717  331.114   12.169 -52.90814 6.743423 
1 1 1    4    3   19 o  314.984   5.7263  989.460   35.951 22.63303 11.45254 
1 1 1    4    3   20 o  328.171   5.9715  1081.44   39.172 -4.830322 11.94303 
1 1 1    4    3   21 o  240.649   4.2515  584.596   20.291 34.67177 8.502989 
1 1 1    4    3   22 o  304.259   5.6896  922.401   34.377 24.44681 11.37929 
1 1 1    4    3   23 o  216.183   3.3412  458.653   14.192 23.76695 6.682489 
1 1 1    4    3   24 o  212.836   3.5688  455.760   15.146 4.719482 7.137513 
1 1 1    4    3   25 o  179.041   4.1905  307.608   14.627 52.29015 8.380978 
1 1 1    4    3   26 o  106.880   3.8215  108.670   7.8574 -21.82373 7.643011 
1 1 1    4    3   27 o  154.207   5.5082  239.742   12.439 -0.8051910 11.01647 
1 1 1    4    3   28 o  159.362   4.4138  257.494   14.043 12.89345 8.827663 
1 1 1    4    3   29 o   97.261   4.3458   96.041   8.4100 7.996918 8.691574 
1 1 1    4    3   30 o  118.224   6.1600  123.376   12.400 91.11874 12.32010 
1 1 1    4    3   31 o  174.946   4.0105  311.344   13.071 -1.318573 8.021087 
1 1 1    4    4    0 o  177.857   4.6717  317.756   16.565 0.000000 0.000000 
1 1 1    4    4    1 o  198.583   3.3149  394.822   12.901 -0.5939941 6.629774 
1 1 1    4    4    2 o  138.100   2.5350  191.708   6.8894 -3.918060 5.070011 
1 1 1    4    4    3 o   93.482   2.9888   72.118   4.9073 64.25214 5.977502 
1 1 1    4    4    4 o  522.888   7.0103  2739.53   72.439 4.469360 14.02067 
1 1 1    4    4    5 o  448.671   6.0161  2018.70   53.426 -0.8700562E-01 12.03214 
1 1 1    4    4    6 o  284.931   4.1482  812.194   23.617 -6.997528 8.296487 
1 1 1    4    4    7 o  532.248   7.1320  2856.53   75.405 -10.76575 14.26393 
1 1 1    4    4    8 f   95.946   2.0859   91.987   3.9975 6.949745 4.171865 
1 1 1    4    4    9 o  358.066   4.4778  1286.22   32.067 -0.8786926 8.955560 
1 1 1    4    4   10 o  217.018   5.6094  472.366   24.347      ?      ? 
1 1 1    4    4   11 o  349.381   4.7575  1222.47   32.766 4.134857 9.515096 
1 1 1    4    4   12 o  108.565   3.2944  118.220   7.1313 -1.532440 6.588721 
1 1 1    4    4   13 o  208.082   3.6397  436.003   14.872 6.177643 7.279358 
1 1 1    4    4   14 o  334.686   4.8693  1115.74   32.433 -21.13107 9.738580 
1 1 1    4    4   15 o  153.631   3.2041  238.598   9.4384 5.572311 6.408145 
1 1 1    4    4   16 o  273.809   4.5906  746.007   24.266 -6.936676 9.181229 
1 1 1    4    4   17 o  320.070   5.8271  1023.41   37.173 16.23544 11.65430 
1 1 1    4    4   18 o  140.875   3.3934  208.301   9.1107 35.89079 6.786795 
1 1 1    4    4   19 o  300.408   6.4968  904.825   39.034      ?      ? 
1 1 1    4    4   20 o  383.803   5.2308  1481.40   40.079 -22.05539 10.46154 
1 1 1    4    4   21 o  244.776   4.8147  599.470   23.530 13.30746 9.629475 
1 1 1    4    4   22 o  104.169   3.9033   81.779   6.6248 -46.46747 7.806665 
1 1 1    4    4   23 o  176.727   3.8865  304.926   13.339 19.52843 7.772957 
1 1 1    4    4   24 o  207.688   4.0623  433.251   16.591 51.01488 8.124605 
1 1 1    4    4   25 o  119.248   3.7157  143.775   8.8029 8.053146 7.431391 
1 1 1    4    4   26 o  150.004   3.2447  219.016   9.2570 -15.03088 6.489470 
1 1 1    4    4   27 o  150.461   3.6708  217.224   10.764 36.67781 7.341679 
1 1 1    4    4   28 o  189.411   5.6197  363.896   21.289      ?      ? 
1 1 1    4    4   29 o   66.681   6.4271   37.666   7.5493 -34.13306 12.85429 
1 1 1    4    4   30 o   55.028   7.8201   33.277   7.9755 -10.73222 15.64010 
1 1 1    4    4   31 o   94.048   4.4552   89.607   8.2629 -9.618591 8.910458 
1 1 1    4    4   32 o  349.988   5.9256  1245.95   40.830 -1.674438 11.85127 
1 1 1    4    5    0 o  210.617   3.8932  444.764   16.374 0.000000 0.000000 
1 1 1    4    5    1 o  246.876   3.4042  610.299   16.643 0.7511749 6.808431 
1 1 1    4    5    2 o  178.956   2.6198  321.536   9.3285 6.995163 5.239651 
1 1 1    4    5    3 f   80.542   2.6563   65.697   4.2192 -14.10212 5.312620 
1 1 1    4    5    4 o  386.003   5.2070  1496.87   39.918 -6.392731 10.41392 
1 1 1    4    5    5 o  186.869   3.6080  348.416   13.452 -10.41479 7.215937 
1 1 1    4    5    6 o  183.434   2.4830  336.706   9.1076 -3.021439 4.966089 
1 1 1    4    5    7 o  199.600   2.8984  397.404   11.377 4.028610 5.796819 
1 1 1    4    5    8 o  322.027   4.0525  1040.12   26.100 -1.436310 8.105015 
1 1 1    4    5    9 o  383.143   5.1713  1476.49   39.293 -3.850342 10.34265 
1 1 1    4    5   10 o  161.600   2.3427  261.377   7.5710 0.1698456 4.685417 
1 1 1    4    5   11 o   94.534   2.6705   86.647   4.9614 16.53159 5.341087 
1 1 1    4    5   12 o  277.382   5.0290  770.937   27.881 8.224670 10.05809 
1 1 1    4    5   13 o  190.127   2.6663  361.764   10.138 0.2723541 5.332605 
1 1 1    4    5   14 o  151.685   4.7827  230.337   14.509      ?      ? 
1 1 1    4    5   15 o  362.274   4.9288  1317.68   35.450 -5.768524 9.857574 
1 1 1    4    5   16 o  315.705   5.2584  966.273   31.426 31.10306 10.51683 
1 1 1    4    5   17 o  329.736   4.2217  1088.98   27.837 2.867981 8.443486 
1 1 1    4    5   18 o  381.424   9.6590  1462.51   73.684      ?      ? 
1 1 1    4    5   19 o  193.701   3.5994  386.693   12.658 13.96808 7.198720 
1 1 1    4    5   20 o  221.840   5.2172  493.302   23.148      ?      ? 
1 1 1    4    5   21 o  174.227   4.5562  246.461   14.265 88.62459 9.112370 
1 1 1    4    5   22 o  104.298   3.4879  109.357   7.2286 1.964966 6.975859 
1 1 1    4    5   23 o  254.079   4.0164  647.189   20.376 17.45435 8.032803 
1 1 1    4    5   24 o  122.729   7.7176  152.366   18.944      ?      ? 
1 1 1    4    5   25 o  189.858   3.6847  365.972   12.872 4.031143 7.369386 
1 1 1    4    5   26 o  207.986   3.9967  438.474   16.359 48.61490 7.993409 
1 1 1    4    5   27 o   93.514   3.5142   86.443   6.3578 -7.521278 7.028416 
1 1 1    4    5   28 o   67.322   5.7420   46.265   7.6307 -5.334137 11.48393 
1 1 1    4    5   29 o  115.677   7.6627  135.220   17.728      ?      ? 
1 1 1    4    5   30 o   69.643   5.5538   51.513   7.5873 8.861717 11.10767 
1 1 1    4    5   31 o   62.765   5.6320   45.195   6.8788 14.36540 11.26392 
1 1 1    4    6    0 o  158.800   4.5562  253.818   14.418 0.000000 0.000000 
1 1 1    4    6    1 o  296.037   5.3249  880.407   31.528 0.3973999 10.64989 
1 1 1    4    6    2 o  111.827   2.8314  125.162   6.3310 2.195557 5.662869 
1 1 1    4    6    3 o  127.621   2.1407  162.990   5.4639 0.7110596E-02 4.281387 
1 1 1    4    6    4 o  101.020   3.2530   97.462   6.3292 -38.67878 6.505918 
1 1 1    4    6    5 o  229.914   3.2465  527.798   14.710 -4.292313 6.493000 
1 1 1    4    6    6 o   96.204   2.3819   92.649   4.5198 -0.9231567E-03 4.763765 
1 1 1    4    6    7 o   64.962   2.9928   42.460   3.8527 2.455894 5.985662 
1 1 1    4    6    8 o  320.548   4.7021  1031.09   30.140 1.297485 9.404195 
1 1 1    4    6    9 o  117.020   3.4225  137.117   7.9604 0.8327103 6.844965 
1 1 1    4    6   10 o  192.116   3.8577  344.067   14.049 40.86777 7.715424 
1 1 1    4    6   11 o  203.961   3.5766  419.557   14.463 -13.26514 7.153125 
1 1 1    4    6   12 o  179.734   3.6875  319.566   13.164 18.60350 7.374968 
1 1 1    4    6   13 o  208.384   3.1485  423.830   12.700 19.64188 6.297072 
1 1 1    4    6   14 o  317.115   5.2678  1013.85   33.174 18.57901 10.53556 
1 1 1    4    6   15 o  349.837   5.1384  1226.43   35.938 -6.775940 10.27672 
1 1 1    4    6   16 o  196.752   3.1256  388.031   12.193 2.195862 6.251242 
1 1 1    4    6   17 o  235.962   3.3088  557.319   15.612 -2.635910 6.617682 
1 1 1    4    6   18 o  441.109   7.9094  1814.05   65.610 -94.42542 15.81889 
1 1 1    4    6   19 o  120.644   3.2926  146.113   7.9287 5.718727 6.585190 
1 1 1    4    6   20 o  142.202   3.7132  202.810   9.5402 0.2701263 7.426300 
1 1 1    4    6   21 o  106.203   3.4158  115.101   6.6431 4.814087 6.831590 
1 1 1    4    6   22 o  307.823   4.1893  960.405   25.174 11.79404 8.378685 
1 1 1    4    6   23 o  183.620   5.3895  209.907   12.929 -101.2141 10.77898 
1 1 1    4    6   24 o   90.145   5.0431   81.707   8.9581 -21.45379 10.08615 
1 1 1    4    6   25 o  105.596   4.8552  112.336   10.254      ?      ? 
1 1 1    4    6   26 o   97.284   3.3976   97.050   6.3169 6.138390 6.795260 
1 1 1    4    6   27 o   54.473   5.2008   26.790   5.3045 -20.11279 10.40170 
1 1 1    4    6   28 o  117.548   4.1411  137.805   9.5305 33.91758 8.282218 
1 1 1    4    6   29 o  101.187   6.3872  106.726   12.926      ?      ? 
1 1 1    4    6   30 o   45.487   7.7504   23.292   7.0100 9.582180 15.50083 
1 1 1    4    7    0 o  244.298   6.3758  600.814   31.033 0.000000 0.000000 
1 1 1    4    7    1 o  246.928   3.2073  610.911   15.839 0.2872772 6.414607 
1 1 1    4    7    2 o  218.764   2.9104  479.267   12.733 -1.845612 5.820883 
1 1 1    4    7    3 o  118.192   2.2392  139.353   5.2834 -9.544807 4.478449 
1 1 1    4    7    4 o  128.348   2.4416  164.909   6.2192 0.1397705 4.883243 
1 1 1    4    7    5 f  109.749   3.3523  107.961   6.9073 51.61919 6.704569 
1 1 1    4    7    6 o  158.839   3.3621  252.508   10.674 5.593246 6.724258 
1 1 1    4    7    7 o  223.011   3.2137  499.654   14.253 -6.444702 6.427334 
1 1 1    4    7    8 o  323.398   4.4437  1048.27   28.417 0.6961975 8.887357 
1 1 1    4    7    9 o  213.242   3.1997  454.285   13.499 -3.124161 6.399445 
1 1 1    4    7   10 o  353.509   7.3619  1253.33   52.050      ?      ? 
1 1 1    4    7   11 o  160.053   5.6964  256.568   18.234      ?      ? 
1 1 1    4    7   12 o  218.762   4.3772  477.180   19.083 11.24980 8.754498 
1 1 1    4    7   13 o  320.514   5.7919  1030.14   37.117 6.395477 11.58374 
1 1 1    4    7   14 o  179.358   5.5563  322.193   19.931      ?      ? 
1 1 1    4    7   15 o  373.818   5.8866  1391.90   40.989 6.917694 11.77321 
1 1 1    4    7   16 o  188.825   4.4275  357.261   16.716 -6.471527 8.855056 
1 1 1    4    7   17 f  207.438   4.2136  427.718   17.200 -9.247482 8.427184 
1 1 1    4    7   18 o  183.458   3.3961  335.546   12.211 4.476990 6.792225 
1 1 1    4    7   19 o  151.219   3.0296  229.152   9.1590 2.497849 6.059158 
1 1 1    4    7   20 o  196.866   3.4918  385.304   13.678 17.72198 6.983609 
1 1 1    4    7   21 o   71.832   7.2270   57.222   9.2569 33.22694 14.45406 
1 1 1    4    7   22 o  223.397   3.7865  501.208   16.905 -4.556168 7.572957 
1 1 1    4    7   24 o   96.857   4.4026   93.438   7.0082 -1.981308 8.805188 
1 1 1    4    7   25 o   60.180   5.9531   40.217   6.2200 12.47697 11.90628 
1 1 1    4    7   26 o  111.892   3.7849  122.141   8.3115 23.08566 7.569862 
1 1 1    4    7   27 o  116.475   4.1120  140.874   9.2674 7.263100 8.224067 
1 1 1    4    7   29 o   59.546   6.9425   38.865   7.9402 9.857910 13.88498 
1 1 1    4    8    0 o  102.073   4.2434  106.722   8.0834 0.000000 0.000000 
1 1 1    4    8    1 o  121.225   2.9130  144.651   6.6013 -5.698044 5.826061 
1 1 1    4    8    2 o  110.269   3.1993  121.779   6.9223 -0.1410294 6.398596 
1 1 1    4    8    3 o  138.050   3.1304  189.244   8.4945 6.175323 6.260760 
1 1 1    4    8    4 o  114.830   3.8226  122.355   8.3187 -51.92689 7.645189 
1 1 1    4    8    5 o  211.186   4.1129  437.132   17.129 27.07257 8.225741 
1 1 1    4    8    6 o  256.759   3.3869  659.820   17.385 -4.623871 6.773808 
1 1 1    4    8    7 o  213.901   4.2064  435.047   17.426 43.39758 8.412803 
1 1 1    4    8    8 o  352.269   4.4711  1243.24   31.498 2.712677 8.942226 
1 1 1    4    8    9 o  224.446   3.0881  503.709   13.852 5.499619 6.176241 
1 1 1    4    8   10 o  158.461   3.9643  251.729   12.530 -2.588837 7.928586 
1 1 1    4    8   11 o  147.330   2.7134  217.212   7.9954 0.2476044 5.426900 
1 1 1    4    8   12 o  198.585   4.3852  394.973   17.410 -7.816147 8.770319 
1 1 1    4    8   13 o  356.613   5.3181  1265.82   37.741 -25.50479 10.63611 
1 1 1    4    8   14 o  203.346   5.8073  414.186   23.618      ?      ? 
1 1 1    4    8   15 o  102.702   6.5393  105.770   13.432      ?      ? 
1 1 1    4    8   16 o  154.602   5.9242  239.625   18.318      ?      ? 
1 1 1    4    8   17 o  202.486   5.1182  421.191   17.010 8.679901 10.23632 
1 1 1    4    8   18 f   73.461   7.3653   64.152   8.8545 28.67338 14.73059 
1 1 1    4    8   19 o  170.285   5.6713  291.247   19.315      ?      ? 
1 1 1    4    8   20 o  216.977   3.8627  467.054   16.637 -22.79996 7.725301 
1 1 1    4    8   21 o  139.184   3.5107  191.966   9.6499 11.29721 7.021404 
1 1 1    4    8   22 f  258.721   3.8959  661.314   19.683 20.23503 7.791721 
1 1 1    4    8   23 o   96.914   5.7040  106.679   9.2279 65.90640 11.40798 
1 1 1    4    8   24 o  101.087   3.7662  103.893   7.5477 6.156265 7.532303 
1 1 1    4    8   25 o  136.143   6.6386  188.910   18.076      ?      ? 
1 1 1    4    8   26 o  193.094   4.1641  376.618   15.645 -8.754105 8.328281 
1 1 1    4    8   27 o  108.668   5.8337  122.243   12.383 23.41017 11.66738 
1 1 1    4    8   28 o  106.516   4.0853  116.408   8.6757 10.53932 8.170560 
1 1 1    4    8   29 o   87.366   4.9682   80.862   8.6344 12.63094 9.936301 
1 1 1    4    8   30 o   20.370   10.185 -24.3079   17.424      ?      ? 
1 1 1    4    9    0 f  112.664   5.0352  132.765   10.413 0.000000 0.000000 
1 1 1    4    9    1 f  129.945   2.9648  168.765   7.6980 -7.679329 5.929596 
1 1 1    4    9    2 o  261.039   4.2621  678.968   20.771 3.822937 8.524105 
1 1 1    4    9    3 o  250.332   4.3219  632.054   21.405 -13.07808 8.643733 
1 1 1    4    9    4 o  268.777   4.6282  689.224   23.254 34.78825 9.256424 
1 1 1    4    9    5 o  253.235   3.6528  640.778   18.270 3.212845 7.305668 
1 1 1    4    9    6 o  140.370   2.7727  196.743   7.6948 1.998154 5.545403 
1 1 1    4    9    7 o  293.000   4.1135  861.356   23.921 -4.590973 8.226961 
1 1 1    4    9    8 o  238.805   3.7917  571.044   18.109 -0.1250000 7.583460 
1 1 1    4    9    9 o  164.157   4.1712  255.816   13.308 -50.70609 8.342360 
1 1 1    4    9   10 o  171.851   2.8528  295.381   9.7992 2.953217 5.705677 
1 1 1    4    9   11 o  296.321   3.9107  879.366   23.176 -1.176025 7.821437 
1 1 1    4    9   12 o  253.139   4.8883  642.176   24.732 -1.294449 9.776546 
1 1 1    4    9   13 o  336.848   4.7569  1136.81   31.710 -2.133087 9.513739 
1 1 1    4    9   14 o  259.052   3.9218  671.905   20.128 -1.516418 7.843584 
1 1 1    4    9   15 o  157.147   3.6431  234.697   10.958 26.96204 7.286256 
1 1 1    4    9   16 o   87.602   7.4556   77.092   13.063      ?      ? 
1 1 1    4    9   17 f  105.526   4.2890  109.150   8.8923 13.04910 8.577983 
1 1 1    4    9   18 o  152.380   3.6441  231.002   10.918 6.877426 7.288253 
1 1 1    4    9   19 o  178.278   3.8749  314.872   13.664 16.77412 7.749801 
1 1 1    4    9   20 o  184.840   4.4677  346.224   16.415 21.80151 8.935385 
1 1 1    4    9   21 o  171.976   3.9702  298.615   13.251 1.970612 7.940308 
1 1 1    4    9   22 o  119.803   3.6314  144.141   8.6004 -2.667938 7.262786 
1 1 1    4    9   23 o  166.460   4.0205  278.783   12.758 -2.432510 8.041052 
1 1 1    4    9   24 o  113.623   3.8047  131.690   8.5166 5.641159 7.609327 
1 1 1    4    9   25 o  103.092   3.8570  105.703   7.6025 -7.719170 7.713988 
1 1 1    4    9   26 o  112.482   4.9407  127.581   10.041 0.1957092 9.881476 
1 1 1    4    9   27 o   62.323   7.1061   38.284   8.2144 -31.30382 14.21218 
1 1 1    4    9   28 o  105.595   5.6305  100.923   10.807 -35.29218 11.26109 
1 1 1    4    9   29 o   69.872   8.6188   46.503   10.820 -20.79697 17.23759 
1 1 1    4   10    0 o   57.413   8.1554   37.735   8.0459 0.000000 0.000000 
1 1 1    4   10    1 o  127.507   3.5599  159.500   8.9421 -14.18018 7.119869 
1 1 1    4   10    2 o  172.446   3.0873  296.997   10.546 -2.615585 6.174519 
1 1 1    4   10    3 o  320.533   4.4614  1031.82   28.420 7.440857 8.922868 
1 1 1    4   10    4 o  121.070   5.3773  146.786   13.021      ?      ? 
1 1 1    4   10    5 o  148.520   2.8035  220.755   8.3253 -4.476456 5.606941 
1 1 1    4   10    6 o   97.621   5.2624   97.238   10.020 -24.83098 10.52488 
1 1 1    4   10    7 o  133.739   4.4504  180.007   11.848 -8.335373 8.900772 
1 1 1    4   10    8 o  313.368   4.4633  982.106   27.578 3.280731 8.926587 
1 1 1    4   10    9 o  299.000   3.9657  895.192   23.712 -3.673035 7.931331 
1 1 1    4   10   10 o  346.489   5.2301  1204.19   36.239 -1.882050 10.46023 
1 1 1    4   10   11 o  208.353   4.6598  403.696   18.679 60.09761 9.319632 
1 1 1    4   10   12 o  175.434   3.3915  308.997   11.869 -7.684113 6.782996 
1 1 1    4   10   13 o  159.823   3.7902  252.798   11.611 6.890106 7.580443 
1 1 1    4   10   14 o  309.780   4.8290  959.652   29.836 14.63699 9.658018 
1 1 1    4   10   15 o  131.000   3.5420  171.646   9.2586 4.892120 7.083927 
1 1 1    4   10   16 o   62.320   6.4202   40.909   7.5317 9.872673 12.84037 
1 1 1    4   10   17 o  107.111   3.9302  114.865   8.3963 5.288513 7.860340 
1 1 1    4   10   18 o  134.382   3.3072  181.303   8.8800 1.281494 6.614359 
1 1 1    4   10   19 f  162.448   4.7221  259.282   15.052 -44.33788 9.444232 
1 1 1    4   10   20 o   39.651   8.1623   16.569   6.7954 -2.635895 16.32455 
1 1 1    4   10   21 o   78.259   4.5439   62.176   7.0325 0.8434372 9.087766 
1 1 1    4   10   22 o  113.974   3.9937  131.396   8.6848 0.2600327 7.987346 
1 1 1    4   10   23 o   96.441   5.8360  108.914   9.7262 -40.37399 11.67205 
1 1 1    4   10   24 o   89.182   4.7239   76.041   8.1015 -27.18533 9.447894 
1 1 1    4   10   25 o   76.008   7.6367   64.532   10.133 16.95329 15.27330 
1 1 1    4   10   26 o   37.845   8.1897   15.999   7.2686 13.46883 16.37949 
1 1 1    4   10   27 o   70.600   5.5140   52.599   7.7825 -1.519951 11.02797 
1 1 1    4   10   28 o   64.139   7.5773   41.584   9.1024 32.35321 15.15458 
1 1 1    4   11    0 f   16.467   8.4826 -34.7315   13.801 0.000000 0.000000 
1 1 1    4   11    1 o   43.915   9.7990   19.214   9.6020 0.5334206 19.59805 
1 1 1    4   11    2 o  241.801   3.4015  585.251   16.448 -2.084152 6.802920 
1 1 1    4   11    3 o  163.464   4.4415  267.694   14.520 2.388580 8.883013 
1 1 1    4   11    4 o  128.076   5.2064  163.242   12.237 -70.24320 10.41276 
1 1 1    4   11    5 o  334.017   4.6964  1117.15   31.015 1.809967 9.392777 
1 1 1    4   11    6 o  107.077   5.4914  122.531   10.822 47.54636 10.98276 
1 1 1    4   11    7 o   88.403   5.1109   78.340   8.9760 13.81977 10.22173 
1 1 1    4   11    8 o  212.613   4.8882  372.089   18.720 95.53180 9.776366 
1 1 1    4   11    9 o   87.944   4.6856   76.999   8.1116 -3.544304 9.371203 
1 1 1    4   11   10 o  105.010   5.7076  120.843   10.850 -28.56764 11.41516 
1 1 1    4   11   11 o  169.859   4.4443  287.429   14.994 -9.561127 8.888617 
1 1 1    4   11   12 o   94.138   5.8151   88.369   10.632 -31.12930 11.63022 
1 1 1    4   11   13 o  170.008   3.5609  288.647   11.812 3.222565 7.121774 
1 1 1    4   11   14 o   84.206   5.4562   71.175   9.1313 3.014610 10.91249 
1 1 1    4   11   15 f   95.172   4.2109   90.584   7.9859 6.016182 8.421851 
1 1 1    4   11   16 o   79.942   4.6824   64.228   7.4776 5.130394 9.364738 
1 1 1    4   11   17 o   31.791   7.9140   2.7864   9.0556 -21.26977 15.82802 
1 1 1    4   11   18 o   42.928   8.7510   18.867   7.5606 -5.059204 17.50208 
1 1 1    4   11   19 o  122.207   3.5068  150.433   8.4444 0.1548996 7.013646 
1 1 1    4   11   20 o  102.585   3.9702  104.363   8.0089 -10.30300 7.940438 
1 1 1    4   11   21 o  114.362   3.8952  131.094   8.8628 13.75123 7.790428 
1 1 1    4   11   22 o   99.532   4.3348  102.497   8.4682 10.93073 8.669542 
1 1 1    4   11   23 o  105.360   5.1314  112.670   10.728 18.30785 10.26286 
1 1 1    4   11   24 o  111.831   7.9500  136.885   17.781      ?      ? 
1 1 1    4   11   25 o  121.111   6.4028  150.982   15.509      ?      ? 
1 1 1    4   11   26 o  157.794   6.8394  351.141   20.189 4.336151 13.67885 
1 1 1    4   11   27 o   42.386   8.7580   17.153   11.496 -46.00888 17.51604 
1 1 1    4   12    0 f   68.096   10.729   51.681   12.241 0.000000 0.000000 
1 1 1    4   12    1 f  190.822   4.8163  345.422   17.862 57.10616 9.632701 
1 1 1    4   12    2 o   91.932   7.8659   96.687   11.739 66.62601 15.73182 
1 1 1    4   12    3 o  207.541   3.5998  428.661   14.694 -7.211166 7.199631 
1 1 1    4   12    4 o  237.008   4.9940  549.964   23.376 40.06662 9.988071 
1 1 1    4   12    5 f  252.575   3.8969  640.415   19.535 3.139572 7.793810 
1 1 1    4   12    6 o  285.835   4.5273  818.032   25.844 -11.90027 9.054575 
1 1 1    4   12    7 o  126.844   4.0474  161.448   10.260 3.181877 8.094865 
1 1 1    4   12    8 o  196.121   3.8195  384.406   14.957 10.11871 7.638970 
1 1 1    4   12    9 o  124.321   3.6036  155.083   8.9336 -1.210915 7.207284 
1 1 1    4   12   10 o   84.008   4.2786   70.868   7.1877 -1.217812 8.557232 
1 1 1    4   12   11 o  132.556   3.2123  176.178   8.5150 3.242325 6.424655 
1 1 1    4   12   12 o  192.546   3.1790  371.750   12.240 1.501602 6.357901 
1 1 1    4   12   13 o  134.833   3.4575  183.976   9.2459 10.86894 6.915056 
1 1 1    4   12   14 o  211.158   3.5202  446.524   14.691 -3.648605 7.040458 
1 1 1    4   12   15 o   73.491   5.1706   54.875   7.4299 2.521271 10.34112 
1 1 1    4   12   16 o   89.112   4.4226   79.219   7.8331 12.16094 8.845284 
1 1 1    4   12   17 f  129.145   3.3321  167.840   8.6052 -0.9645386 6.664252 
1 1 1    4   12   18 o   94.105   5.9718   92.002   9.6711 -3.704559 11.94353 
1 1 1    4   12   19 o   97.994   5.7391   98.715   11.187 -12.66979 11.47823 
1 1 1    4   12   20 o   79.178   6.4233   66.280   9.5461 -5.869781 12.84653 
1 1 1    4   12   21 o   78.895   9.2825   76.643   11.035 -19.29947 18.56507 
1 1 1    4   12   22 f  101.696   6.9951  106.903   13.972 -19.24145 13.99016 
1 1 1    4   12   23 f   47.916   8.7681   25.502   8.5266 -10.93825 17.53610 
1 1 1    4   12   24 o   67.346   7.3514   50.119   9.4550 5.100616 14.70282 
1 1 1    4   12   25 o   40.741   10.581   15.998   11.276 -1.236618 21.16211 
1 1 1    4   13    1 o  232.242   4.3663  538.230   18.887 3.329376 8.732666 
1 1 1    4   13    2 o  283.459   6.4346  828.235   32.147 -14.85889 12.86925 
1 1 1    4   13    3 o   69.383   9.2715   54.841   12.342 -42.42733 18.54292 
1 1 1    4   13    4 o  292.072   3.9964  855.071   23.326 -9.385712 7.992757 
1 1 1    4   13    5 o   67.991   5.4177   46.545   7.3407 -7.738091 10.83541 
1 1 1    4   13    6 o   94.111   4.6017   88.838   8.6504 -5.190666 9.203473 
1 1 1    4   13    7 o  140.156   4.3232  197.008   12.076 -3.458893 8.646334 
1 1 1    4   13    8 o   34.456   8.5135   9.4654   7.2447 -11.70775 17.02699 
1 1 1    4   13    9 o   77.992   5.0418   63.501   7.5702 14.23442 10.08356 
1 1 1    4   13   10 o  162.889   3.9463  262.324   12.454 -10.42215 7.892630 
1 1 1    4   13   11 o  132.585   3.9668  177.297   10.484 -7.318115 7.933520 
1 1 1    4   13   12 o  108.441   3.6405  117.472   7.8645 -7.251518 7.280997 
1 1 1    4   13   13 o  140.222   3.1456  196.766   8.7931 -5.215729 6.291197 
1 1 1    4   13   14 o   64.773   5.4695   43.925   6.8100 20.24820 10.93899 
1 1 1    4   13   15 o  103.799   3.9312  109.188   7.9960 2.188026 7.862494 
1 1 1    4   13   16 o  142.515   3.5535  204.651   10.081 -1.989075 7.107009 
1 1 1    4   13   17 o   91.212   6.0676   89.518   9.7076 -10.57439 12.13526 
1 1 1    4   13   18 o   97.106   7.2198   96.512   14.022      ?      ? 
1 1 1    4   13   19 o   53.616   8.2210   31.132   8.4271 10.14043 16.44204 
1 1 1    4   13   20 o   95.416   9.9145   92.715   18.920      ?      ? 
1 1 1    4   13   21 f   34.555   10.129   10.159   11.325 0.3287468 20.25837 
1 1 1    4   13   22 o   61.410   9.0598   43.792   10.834 12.96088 18.11954 
1 1 1    4   13   23 o   75.575   9.1042   77.335   13.041 -29.53302 18.20841 
1 1 1    4   13   24 o   75.495   11.089   62.016   16.555 -34.08393 22.17716 
1 1 1    4   14    0 o   20.818   9.7045  -2.1222   9.9547 0.000000 0.000000 
1 1 1    4   14    1 o   55.729   6.8653   32.037   7.4832 4.624371 13.73064 
1 1 1    4   14    2 o   64.484   8.0837   47.479   9.5000 25.68288 16.16750 
1 1 1    4   14    3 o  154.664   3.7581  238.994   11.591 13.72025 7.516224 
1 1 1    4   14    4 o   76.219   4.8443   59.088   7.3037 12.24324 9.688639 
1 1 1    4   14    5 o   86.994   4.2914   76.129   7.4655 -1.804237 8.582875 
1 1 1    4   14    6 o  121.474   3.8652  148.962   9.2595 -3.625786 7.730478 
1 1 1    4   14    7 o   66.620   6.6763   48.876   8.0427 -20.61901 13.35252 
1 1 1    4   14    8 o   68.316   5.7928   46.765   7.7096 21.53755 11.58557 
1 1 1    4   14    9 o   90.077   4.6909   82.556   8.3566 14.00379 9.381765 
1 1 1    4   14   10 o   79.283   4.6706   63.583   7.3958 -5.339371 9.341201 
1 1 1    4   14   11 o   91.096   4.1082   83.696   7.4783 -5.047020 8.216359 
1 1 1    4   14   12 o  141.904   3.7610  203.296   10.663 -7.266968 7.521963 
1 1 1    4   14   13 o   65.285   5.7622   43.652   7.4717 -0.2991180 11.52437 
1 1 1    4   14   14 o   61.944   8.4672   39.399   10.490      ?      ? 
1 1 1    4   14   15 o   70.885   6.4339   52.065   8.8578 -0.6501465 12.86772 
1 1 1    4   14   16 o   66.616   8.3655   49.658   10.229 -10.04502 16.73098 
1 1 1    4   14   17 o   72.147   7.1618   52.743   9.5111 35.52584 14.32350 
1 1 1    4   14   18 o  110.443   6.0144  120.045   13.067 17.23621 12.02888 
1 1 1    4   14   19 o   91.892   6.2892   91.277   11.383 -2.142830 12.57848 
1 1 1    4   14   20 o   38.285   9.2773   16.262   9.5878 -14.23826 18.55467 
1 1 1    4   14   21 o   36.325   9.9358   12.893   9.9342 3.371693 19.87155 
1 1 1    4   14   22 o  103.371   10.429  109.664   21.562      ?      ? 
1 1 1    4   15    1 o   83.587   5.8600   71.857   9.6237 8.648247 11.72004 
1 1 1    4   15    2 o  187.177   6.6260  353.589   24.805      ?      ? 
1 1 1    4   15    3 o  112.404   4.3616  127.511   9.7971 5.718117 8.723113 
1 1 1    4   15    4 o   70.245   5.6528   49.653   7.8509 15.02007 11.30568 
1 1 1    4   15    5 o   63.381   6.4344   41.322   8.0875 1.908703 12.86888 
1 1 1    4   15    6 o   72.190   4.9116   52.949   7.0622 1.604698 9.823291 
1 1 1    4   15    7 o   26.349   7.9497   0.4804   7.3698 0.1947632 15.89939 
1 1 1    4   15    8 o   54.811   8.0185   31.917   8.2880 1.887123 16.03697 
1 1 1    4   15    9 o   72.452   4.9610   53.596   7.1644 4.512283 9.921944 
1 1 1    4   15   10 o  100.019   4.0274  101.121   8.0261 0.9198532 8.054871 
1 1 1    4   15   11 o   49.135   9.4948   28.795   9.5785 -13.58739 18.98958 
1 1 1    4   15   12 o   53.377   8.7584   32.099   9.0962 -7.499191 17.51677 
1 1 1    4   15   13 o   69.805   6.3797   50.703   8.8128 -0.5626297 12.75945 
1 1 1    4   15   14 o   56.285   7.5756   34.587   8.3187 -13.27600 15.15120 
1 1 1    4   15   15 o   35.014   15.204  -1.2419   19.768      ?      ? 
1 1 1    4   15   16 o  115.498   7.0518  126.445   15.397 51.26038 14.10352 
1 1 1    4   15   17 o   42.385   9.8649   19.638   9.5606 3.853737 19.72987 
1 1 1    4   15   18 o   88.642   8.4613   58.612   12.058 73.16466 16.92261 
1 1 1    4   15   19 o   68.852   7.2072   58.290   9.9175 1.310028 14.41447 
1 1 1    4   15   20 o   93.936   8.4043   77.921   13.781 61.44476 16.80861 
1 1 1    4   16    0 o   23.516   10.958  -1.0464   11.654 0.000000 0.000000 
1 1 1    4   16    1 o   42.835   8.7500   19.515   7.8027 4.096668 17.50003 
1 1 1    4   16    2 o   56.973   8.1103   33.309   8.5212 8.856838 16.22050 
1 1 1    4   16    3 o   52.650   7.9276   29.226   8.0352 -10.30055 15.85519 
1 1 1    4   16    4 o   65.517   6.3638   44.279   8.2243 0.8440552 12.72770 
1 1 1    4   16    5 o   71.563   5.8396   53.310   8.2237 7.873260 11.67915 
1 1 1    4   16    6 o   67.588   6.4785   47.338   8.7515 -2.470253 12.95709 
1 1 1    4   16    7 o   32.799   8.8479   8.2949   8.0522 5.805143 17.69570 
1 1 1    4   16    8 o   34.571   8.6271   11.046   7.6826 8.990515 17.25428 
1 1 1    4   16    9 o   36.855   8.6739   14.187   7.4706 1.011356 17.34770 
1 1 1    4   16   10 o   52.475   7.9749   30.695   8.1172 3.676468 15.94975 
1 1 1    4   16   12 o   97.362   8.3757   99.258   15.911 -14.33086 16.75135 
1 1 1    4   16   13 o   28.237   9.0922  -5.4143   12.000 6.279886 18.18443 
1 1 1    4   16   14 o   58.104   8.6877   38.987   9.8973 18.37175 17.37543 
1 1 1    4   16   15 o   82.952   6.1073   72.336   10.125 4.394135 12.21460 
1 1 1    4   16   16 o   36.998   9.7690   13.480   9.9834 -7.111969 19.53797 
1 1 1    4   16   17 o   28.671   9.4703 -15.4100   13.463 3.833948 18.94063 
1 1 1    4   16   18 o   35.551   10.569   36.701   12.767 -1.192410 21.13713 
1 1 1    4   17    0 o   63.420   12.228   51.962   13.335 0.000000 0.000000 
1 1 1    4   17    1 o   49.809   11.119   28.416   10.780 -1.077015 22.23861 
1 1 1    4   17    2 o   48.118   10.808   25.830   10.359 3.273922 21.61583 
1 1 1    4   17    3 o   48.708   9.1613   27.878   9.0276 -4.074680 18.32257 
1 1 1    4   17    4 o   42.836   8.7758   18.746   8.7419 22.89427 17.55162 
1 1 1    4   17    5 f   65.912   7.9899   48.407   9.7550 38.23646 15.97979 
1 1 1    4   17    6 o  126.085   4.9447  142.717   11.751 -51.93723 9.889350 
1 1 1    4   17    7 o   52.259   14.201   29.250   15.227      ?      ? 
1 1 1    4   17    8 f   38.422   8.9643   12.258   10.503 24.07208 17.92865 
1 1 1    4   17    9 o   31.863   9.2180   4.4181   9.6313 -14.24817 18.43597 
1 1 1    4   17   10 o   29.826   8.7644   3.6414   8.7480 5.253643 17.52880 
1 1 1    4   17   11 o   51.618   8.7401   30.471   8.9536 9.759964 17.48020 
1 1 1    4   17   12 o   87.489   5.6022   80.490   9.7666 9.310730 11.20440 
1 1 1    4   17   13 o   50.041   9.5187   36.978   9.7995 6.389431 19.03738 
1 1 1    4   17   14 o   50.103   9.7453   26.312   10.433 -18.07446 19.49066 
1 1 1    4   17   15 o   50.088   8.8455   56.401   11.221 35.46900 17.69102 
1 1 1    4   18    0 o   75.059   12.985   70.027   16.822 0.000000 0.000000 
1 1 1    4   18    1 o   87.332   6.1470   80.784   10.679 -5.824295 12.29399 
1 1 1    4   18    2 o   82.693   6.8687   73.845   11.241 9.585037 13.73740 
1 1 1    4   18    3 f   77.287   7.2726   65.238   11.063 9.100151 14.54519 
1 1 1    4   18    4 o   54.826   9.3573   34.950   10.158 1.340183 18.71459 
1 1 1    4   18    5 o   66.141   8.6454   49.172   10.967 -4.888222 17.29088 
1 1 1    4   18    6 f   35.873   10.163   10.726   10.727 3.802521 20.32647 
1 1 1    4   18    7 o   34.325   10.040   7.6667   10.953 3.275509 20.08022 
1 1 1    4   18    8 o   32.622   10.339   11.511   12.785 7.730967 20.67762 
1 1 1    4   18    9 o   26.015   8.5250  -9.2109   10.713 1.612064 17.04995 
1 1 1    4   18   10 o   40.779   10.681   14.317   11.667 3.899700 21.36199 
1 1 1    4   19    0 o   25.085   11.759  -1.7582   15.032 0.000000 0.000000 
1 1 1    4   19    1 o   48.872   10.543   27.174   11.295 5.069336 21.08517 
1 1 1    4   19    2 o   43.008   10.108   18.987   11.514 -22.31550 20.21628 
1 1 1    4   19    3 o   36.482   10.403   40.126   11.772 -12.43535 20.80650 
1 1 1    5    0    1 o   44.610   2.3211   20.225   2.0483 0.000000 0.000000 
1 1 1    5    0    2 o  343.943   6.0511  1186.66   41.560 0.000000 0.000000 
1 1 1    5    0    3 o  230.337   4.7299  533.862   18.971 0.000000 0.000000 
1 1 1    5    0    4 o   29.159   5.1355   9.9274   2.5439 0.000000 0.000000 
1 1 1    5    0    5 o   26.125   5.7707   8.6935   2.6057 0.000000 0.000000 
1 1 1    5    0    6 o  864.519   15.180  7534.59  262.094 0.000000 0.000000 
1 1 1    5    0    7 f   87.157   3.0537   75.618   4.7448 0.000000 0.000000 
1 1 1    5    0    8 o  377.474   8.1742  1421.99   57.493 0.000000 0.000000 
1 1 1    5    0    9 o  164.205   3.1422  270.189   10.298 0.000000 0.000000 
1 1 1    5    0   10 o   66.093   4.9508   44.555   6.3624 0.000000 0.000000 
1 1 1    5    0   11 o  148.742   3.5630  221.712   10.069 0.000000 0.000000 
1 1 1    5    0   12 o  225.352   5.1946  504.189   21.460 0.000000 0.000000 
1 1 1    5    0   13 o  176.106   3.4438  310.692   12.096 0.000000 0.000000 
1 1 1    5    0   14 o  273.206   6.9416  733.160   37.085 0.000000 0.000000 
1 1 1    5    0   15 o  520.659   11.390  2695.80  109.329 0.000000 0.000000 
1 1 1    5    0   16 o  175.370   3.5996  308.454   12.599 0.000000 0.000000 
1 1 1    5    0   17 o   84.421   4.1489   73.263   6.7998 0.000000 0.000000 
1 1 1    5    0   18 o   91.073   7.2006   86.305   12.428 0.000000 0.000000 
1 1 1    5    0   19 o  331.303   7.4646  1082.68   45.262 0.000000 0.000000 
1 1 1    5    0   20 o  193.560   4.9609  365.153   17.999 0.000000 0.000000 
1 1 1    5    0   21 o  154.451   5.5397  235.751   15.078 0.000000 0.000000 
1 1 1    5    0   23 o  343.831   7.7669  1189.24   49.944 0.000000 0.000000 
1 1 1    5    0   24 o  246.078   4.8806  608.411   23.952 0.000000 0.000000 
1 1 1    5    0   25 o  181.184   5.9229  339.411   19.574 0.000000 0.000000 
1 1 1    5    0   26 o  154.754   4.4433  242.443   13.661 0.000000 0.000000 
1 1 1    5    0   27 o  114.387   4.5784  132.556   10.287 0.000000 0.000000 
1 1 1    5    0   28 o  113.318   4.7713  130.805   10.721 0.000000 0.000000 
1 1 1    5    0   29 o   29.821   12.344   11.866   12.902 0.000000 0.000000 
1 1 1    5    0   30 f  264.983   8.0808  710.243   42.419 0.000000 0.000000 
1 1 1    5    0   31 o   49.549   11.896   33.095   10.393 0.000000 0.000000 
1 1 1    5    0   32 o   77.984   6.1470   65.705   9.3598 0.000000 0.000000 
1 1 1    5    1    0 o  226.193   4.0311  512.860   18.208 0.000000 0.000000 
1 1 1    5    1    1 o  370.013   4.5835  1370.76   33.905 6.295502 9.166961 
1 1 1    5    1    2 o  221.791   3.0241  491.698   13.251 1.583298 6.048189 
1 1 1    5    1    3 o  222.227   2.8989  494.300   12.464 -0.3335571 5.797815 
1 1 1    5    1    4 o  443.301   5.9341  1963.27   51.845 -7.677429 11.86810 
1 1 1    5    1    5 o  507.208   6.7770  2575.76   67.909 -3.946106 13.55409 
1 1 1    5    1    6 f   41.320   2.8651   17.992   2.2454 -11.44046 5.730268 
1 1 1    5    1    7 o  325.232   4.3905  1048.67   27.926 14.66977 8.781066 
1 1 1    5    1    8 o  443.339   5.9436  1969.87   52.122 1.679688 11.88716 
1 1 1    5    1    9 o  278.388   4.2712  779.776   22.596 -3.963715 8.542309 
1 1 1    5    1   10 o  186.251   2.5336  347.697   9.1786 -1.060699 5.067163 
1 1 1    5    1   11 o  133.508   2.5127  163.309   6.0709 25.81420 5.025349 
1 1 1    5    1   12 o   67.481   3.0147   40.702   3.6754 41.93339 6.029494 
1 1 1    5    1   13 o  153.027   2.6566  217.703   7.8139 41.34200 5.313276 
1 1 1    5    1   14 o  329.226   5.1338  1058.28   30.790 20.97186 10.26755 
1 1 1    5    1   15 o  338.914   4.6291  1147.66   30.906 6.490356 9.258193 
1 1 1    5    1   16 o  452.116   6.5637  1961.62   57.287 73.52322 13.12734 
1 1 1    5    1   17 o  174.853   3.0210  303.145   10.481 -12.27771 6.041925 
1 1 1    5    1   18 o  362.528   5.8664  1323.89   42.341 36.60333 11.73284 
1 1 1    5    1   19 o  116.320   4.4862  135.433   10.437      ?      ? 
1 1 1    5    1   20 o  322.459   5.9775  857.156   33.328 116.1897 11.95494 
1 1 1    5    1   21 o  202.189   5.9894  409.920   24.220      ?      ? 
1 1 1    5    1   22 o  286.413   5.0378  821.171   28.002 -3.263794 10.07552 
1 1 1    5    1   23 o  220.922   3.5438  481.389   15.154 -14.10695 7.087615 
1 1 1    5    1   24 o  224.455   4.8202  471.813   20.712 54.56531 9.640423 
1 1 1    5    1   25 o  155.393   3.3739  241.183   10.240 3.872375 6.747862 
1 1 1    5    1   26 o  234.879   3.6619  556.905   17.155 15.38908 7.323818 
1 1 1    5    1   27 o  105.765   3.3741  112.275   7.1210 6.094498 6.748274 
1 1 1    5    1   28 o   97.169   5.5795  103.120   9.1891 -14.25568 11.15894 
1 1 1    5    1   29 o   88.827   5.1741   82.592   8.5142 -5.703133 10.34816 
1 1 1    5    1   31 o   56.740   8.3275   31.473   9.5121 -39.66199 16.65507 
1 1 1    5    1   32 o  130.521   6.6593  184.654   17.384      ?      ? 
1 1 1    5    2    0 o   67.614   2.2467   46.030   3.0234 0.000000 0.000000 
1 1 1    5    2    1 o  405.363   5.0201  1645.84   40.697 2.672028 10.04023 
1 1 1    5    2    2 o  155.814   2.2285  242.556   6.8657 -1.265503 4.457003 
1 1 1    5    2    3 o  347.536   5.2780  1211.32   34.670 1.551910 10.55602 
1 1 1    5    2    4 o  510.512   6.8076  2617.29   68.993 7.587830 13.61526 
1 1 1    5    2    5 o  508.677   6.7980  2593.87   68.453 0.2079163 13.59601 
1 1 1    5    2    6 o  225.719   3.0967  510.902   13.885 -4.449142 6.193485 
1 1 1    5    2    7 o  370.485   6.0125  1347.63   42.523 24.81042 12.02505 
1 1 1    5    2    8 o  394.175   13.967  1567.45  110.106      ?      ? 
1 1 1    5    2    9 o  229.287   5.4693  411.469   18.348 75.73195 10.93850 
1 1 1    5    2   10 o  286.274   5.1401  822.737   29.422 2.913971 10.28011 
1 1 1    5    2   11 o  106.082   3.4427  112.661   7.3041      ?      ? 
1 1 1    5    2   12 o   55.111   6.7587   30.483   7.4496      ?      ? 
1 1 1    5    2   13 o  254.351   4.7108  612.498   22.978 49.62373 9.421630 
1 1 1    5    2   14 o  376.034   6.0672  1421.25   45.446 44.15604 12.13440 
1 1 1    5    2   15 o  246.869   3.3142  611.266   15.921 -1.992508 6.628431 
1 1 1    5    2   16 f  483.590   6.2048  2368.54   59.129 -29.79715 12.40960 
1 1 1    5    2   17 o  225.548   3.8439  425.094   13.849 62.18561 7.687860 
1 1 1    5    2   18 o  320.941   4.4451  1031.89   28.260 0.3516846 8.890247 
1 1 1    5    2   19 o  292.166   5.4840  854.829   32.045      ?      ? 
1 1 1    5    2   20 o  146.414   5.6497  214.819   16.544      ?      ? 
1 1 1    5    2   21 o  290.547   4.9873  853.151   28.770 35.72131 9.974537 
1 1 1    5    2   22 o  115.618   4.5727  147.303   9.5903 43.47720 9.145312 
1 1 1    5    2   23 o  156.096   3.5276  244.844   10.993 -9.984283 7.055297 
1 1 1    5    2   24 o  252.757   5.7011  642.506   28.820      ?      ? 
1 1 1    5    2   25 o  129.350   4.0720  172.397   9.7919 8.957527 8.144011 
1 1 1    5    2   26 o   97.412   5.3058  107.921   9.1382 36.58253 10.61167 
1 1 1    5    2   27 o  133.950   4.8108  180.899   12.888      ?      ? 
1 1 1    5    2   28 o  142.775   5.1981  205.384   14.333 7.389984 10.39625 
1 1 1    5    2   29 o   66.287   6.4078   43.966   8.0850 8.364399 12.81561 
1 1 1    5    2   30 o  230.597   6.9996  537.006   32.282      ?      ? 
1 1 1    5    2   31 o  131.781   4.1117  180.520   10.657 14.06409 8.223409 
1 1 1    5    3    0 o  453.033   7.9629  2059.23   72.035 0.000000 0.000000 
1 1 1    5    3    1 o  270.392   3.6660  730.342   19.572 -2.972321 7.331926 
1 1 1    5    3    2 o   56.015   3.1774   31.373   3.5467 6.500355 6.354792 
1 1 1    5    3    3 o  525.791   7.0245  2769.96   73.031 2.466309 14.04904 
1 1 1    5    3    4 o  293.417   3.9784  856.203   22.918 9.514313 7.956848 
1 1 1    5    3    5 o  169.254   4.6094  286.668   15.603      ?      ? 
1 1 1    5    3    6 o  301.963   5.3338  912.365   32.174 9.352783 10.66756 
1 1 1    5    3    7 o  218.252   3.9265  476.970   17.138 1.450775 7.852988 
1 1 1    5    3    8 o  219.719   3.9600  483.281   17.387 -5.125153 7.920004 
1 1 1    5    3    9 o  311.418   4.7944  969.071   28.017 -3.597534 9.588804 
1 1 1    5    3   10 o  109.207   2.1589  117.118   4.5248 -7.019379 4.317801 
1 1 1    5    3   11 o  158.139   4.6180  250.533   14.606      ?      ? 
1 1 1    5    3   12 o  357.940   5.2110  1286.87   37.298 3.568268 10.42209 
1 1 1    5    3   14 o  135.522   3.1581  183.645   8.4328 -1.011337 6.316292 
1 1 1    5    3   15 o  330.824   5.4311  1104.33   35.544 -15.65045 10.86222 
1 1 1    5    3   16 o  152.420   5.1510  232.592   15.702      ?      ? 
1 1 1    5    3   17 o  310.402   4.2580  967.385   26.363 -11.81183 8.516053 
1 1 1    5    3   18 o  119.065   3.2284  140.020   7.6360 16.77422 6.456809 
1 1 1    5    3   19 o  213.321   3.0388  440.581   12.571 -27.24800 6.077511 
1 1 1    5    3   20 o  223.642   4.5092  496.950   20.077 25.54268 9.018363 
1 1 1    5    3   21 o  271.313   4.1518  681.255   21.105 -58.09996 8.303583 
1 1 1    5    3   22 f  155.121   6.1320  241.635   19.024      ?      ? 
1 1 1    5    3   23 o  178.809   3.1716  309.830   10.562 -15.84363 6.343212 
1 1 1    5    3   24 o  187.204   3.0860  350.511   11.528 -8.284164 6.171926 
1 1 1    5    3   25 o  167.155   3.9624  280.046   13.215 16.32622 7.924861 
1 1 1    5    3   26 o   57.736   10.924   35.531   12.155      ?      ? 
1 1 1    5    3   27 o  310.117   5.4213  979.718   32.604 -1.498260 10.84265 
1 1 1    5    3   28 o  134.113   4.0502  177.344   10.527 -14.19975 8.100446 
1 1 1    5    3   29 o   76.438   5.0005   60.938   7.4283 2.531166 10.00103 
1 1 1    5    3   30 o  132.727   4.3152  180.055   11.251 -6.732391 8.630328 
1 1 1    5    3   31 o   36.725   8.2165   14.613   6.9234 -8.576237 16.43303 
1 1 1    5    3   32 o   35.503   9.1953  -0.9127   9.5756 -29.06701 18.39054 
1 1 1    5    4    0 o  115.911   2.6361  134.797   6.0971 0.000000 0.000000 
1 1 1    5    4    1 o  312.051   4.7828  978.321   28.253 -3.307129 9.565619 
1 1 1    5    4    2 o  113.102   2.4835  129.755   5.5273 -21.35941 4.966925 
1 1 1    5    4    3 o  113.538   1.8416  128.765   4.1783 3.609520 3.683256 
1 1 1    5    4    4 o  144.974   3.0339  210.325   8.7951 0.7192993E-01 6.067855 
1 1 1    5    4    5 o  190.419   2.5151  362.794   9.5784 -0.4130096 5.030164 
1 1 1    5    4    6 o  140.796   2.0904  198.150   5.8826 -3.332779 4.180776 
1 1 1    5    4    7 o  162.539   3.3114  264.631   10.764 -1.490356 6.622744 
1 1 1    5    4    8 o  147.489   2.1705  217.630   6.4013 -2.078842 4.340951 
1 1 1    5    4    9 o  231.199   2.9861  535.393   13.808 -0.4977417E-01 5.972137 
1 1 1    5    4   10 o  105.419   3.1649  103.239   6.2175 55.06473 6.329841 
1 1 1    5    4   11 o  214.303   3.0537  457.978   12.882 5.077789 6.107361 
1 1 1    5    4   12 o  245.346   3.1790  602.907   15.597 1.957642 6.357953 
1 1 1    5    4   13 o  199.636   3.3851  389.241   12.357 -11.84363 6.770253 
1 1 1    5    4   14 o  279.472   3.8819  784.105   21.552 6.187714 7.763723 
1 1 1    5    4   15 o  341.905   6.1557  1163.35   41.805 22.88501 12.31148 
1 1 1    5    4   16 o  463.577   7.5466  2134.66   67.482 20.05609 15.09330 
1 1 1    5    4   17 o  370.900   5.4284  1377.28   40.212 -12.02832 10.85674 
1 1 1    5    4   18 o  237.615   3.9752  579.722   18.140 24.31154 7.950336 
1 1 1    5    4   19 o  194.669   3.8408  389.924   14.442 24.37247 7.681620 
1 1 1    5    4   20 o  327.000   4.8842  1030.47   31.064 54.32529 9.768460 
1 1 1    5    4   21 o  105.237   3.7889  111.580   7.5714 1.839676 7.577708 
1 1 1    5    4   22 o  182.723   5.2913  335.083   19.337      ?      ? 
1 1 1    5    4   23 o   71.266   5.2686   38.879   5.2499 -24.61234 10.53713 
1 1 1    5    4   24 o  255.705   4.5455  646.547   21.874 -13.22548 9.091039 
1 1 1    5    4   25 o  120.066   3.0318  148.985   7.0009 15.38657 6.063691 
1 1 1    5    4   26 o  173.137   3.4470  309.185   11.091 12.22865 6.894042 
1 1 1    5    4   27 o  170.421   3.1541  291.170   10.258 -2.410629 6.308270 
1 1 1    5    4   28 o  168.979   3.2512  279.057   10.582 -19.26357 6.502427 
1 1 1    5    4   29 o  105.556   4.4701  113.766   9.3284 15.44529 8.940176 
1 1 1    5    4   30 o   81.728   5.3496   68.770   8.1638 39.94814 10.69917 
1 1 1    5    4   31 o   73.604   5.5743   56.270   8.1403 13.15039 11.14855 
1 1 1    5    4   32 f  162.341   4.8171  245.972   14.988 -54.05005 9.634183 
1 1 1    5    5    0 o  196.552   5.1765  388.225   20.280 0.000000 0.000000 
1 1 1    5    5    1 o  159.355   2.4362  254.807   7.7045 3.934937 4.872301 
1 1 1    5    5    2 o  140.118   2.2814  195.844   6.3001 -2.382004 4.562785 
1 1 1    5    5    3 o  134.131   2.8272  180.059   7.5839 -0.3656158 5.654487 
1 1 1    5    5    4 o  100.353   2.0268  100.775   4.0674 -1.003548 4.053692 
1 1 1    5    5    5 o  290.613   4.2545  846.664   24.720 4.466156 8.509070 
1 1 1    5    5    6 o  229.601   2.9767  527.892   13.669 -1.111099 5.953379 
1 1 1    5    5    7 f  275.734   3.5250  761.861   19.439 -1.117920 7.050057 
1 1 1    5    5    8 o  138.188   2.3116  190.623   6.3240 -2.599899 4.623180 
1 1 1    5    5    9 o  329.981   4.1539  1091.74   27.412 -2.984924 8.307887 
1 1 1    5    5   10 o  178.180   4.8255  318.133   17.196      ?      ? 
1 1 1    5    5   11 o  226.645   3.2261  511.953   14.415 -6.432816 6.452250 
1 1 1    5    5   12 o  231.826   4.4431  537.091   20.569 -13.89513 8.886250 
1 1 1    5    5   13 o  142.508   2.9077  198.194   8.0519 14.26773 5.815367 
1 1 1    5    5   14 o   97.224   2.4325   94.559   4.7294 -1.826050 4.864945 
1 1 1    5    5   15 o  273.479   4.3468  733.525   22.013 14.71335 8.693529 
1 1 1    5    5   16 o  182.428   4.3627  333.119   15.918      ?      ? 
1 1 1    5    5   17 o  274.768   3.9335  757.284   21.423 3.409607 7.866994 
1 1 1    5    5   18 o  441.705   5.7329  1973.59   49.605 17.78787 11.46589 
1 1 1    5    5   19 o  278.437   5.1739  776.729   28.812      ?      ? 
1 1 1    5    5   20 o  271.922   6.0243  741.626   32.763      ?      ? 
1 1 1    5    5   21 o  282.652   4.3788  775.633   24.233 45.42850 8.757512 
1 1 1    5    5   22 o   97.990   6.5054   96.569   12.749      ?      ? 
1 1 1    5    5   23 o  130.392   3.1802  168.910   7.3733 -2.618591 6.360397 
1 1 1    5    5   24 o  254.251   5.4202  649.756   27.562      ?      ? 
1 1 1    5    5   25 o  193.629   3.1457  375.656   12.138 -8.500259 6.291353 
1 1 1    5    5   26 o   92.943   4.2772   85.600   6.5207 -2.905426 8.554339 
1 1 1    5    5   27 o   93.041   3.9528   94.305   6.5616 18.16380 7.905581 
1 1 1    5    5   28 o  116.943   3.6275  139.043   8.1823 0.5607224 7.255000 
1 1 1    5    5   29 o   15.859   5.6177 -21.5887   6.4952 -2.516374 11.23541 
1 1 1    5    5   30 o   38.996   7.3527   15.077   5.3225 -10.35709 14.70540 
1 1 1    5    6    0 o  166.721   3.4006  278.898   11.318 0.000000 0.000000 
1 1 1    5    6    1 o  185.819   2.5440  345.613   9.4542 1.937958 5.088080 
1 1 1    5    6    2 o  302.226   3.8377  915.337   23.193 3.109802 7.675475 
1 1 1    5    6    3 o  299.936   4.1175  900.372   24.385 3.237701 8.235084 
1 1 1    5    6    4 o  196.985   2.6660  388.181   10.498 4.726898 5.332006 
1 1 1    5    6    5 o  107.599   2.3620  115.312   5.0049 -3.000290 4.723983 
1 1 1    5    6    6 f  130.039   2.3834  167.468   6.0564 -6.247215 4.766858 
1 1 1    5    6    7 o  117.720   3.4662  138.713   8.1609      ?      ? 
1 1 1    5    6    8 o  289.108   4.2776  838.199   24.723 2.890289 8.555157 
1 1 1    5    6    9 f  193.532   3.4160  362.875   11.826 13.94894 6.831967 
1 1 1    5    6   10 o  167.811   4.1478  281.908   13.921      ?      ? 
1 1 1    5    6   11 o  254.809   4.0649  654.845   19.716 -5.708557 8.129800 
1 1 1    5    6   12 o  585.559   7.8712  3452.03   91.369 -3.996033 15.74241 
1 1 1    5    6   13 o  104.261   2.5919  108.402   5.3955 -6.820084 5.183805 
1 1 1    5    6   14 o  352.201   4.8286  1242.89   33.692 -0.5701904 9.657186 
1 1 1    5    6   15 o  434.502   6.3309  1894.49   54.990 -7.685883 12.66180 
1 1 1    5    6   16 o   94.535   3.5661   90.776   6.6161 20.26125 7.132138 
1 1 1    5    6   17 o   54.465   5.7733   41.062   6.9951 64.60809 11.54664 
1 1 1    5    6   18 o  366.574   5.4386  1342.26   39.730 21.29297 10.87724 
1 1 1    5    6   19 o  148.449   3.8171  216.394   10.670 -8.696442 7.634168 
1 1 1    5    6   20 o  259.848   6.8426  678.639   35.561      ?      ? 
1 1 1    5    6   21 o   99.543   3.9966   99.304   7.9566      ?      ? 
1 1 1    5    6   22 o  156.408   4.5087  238.269   9.5701 -6.264160 9.017337 
1 1 1    5    6   23 o   63.451   7.1056   46.889   6.9673 15.65617 14.21129 
1 1 1    5    6   24 o   58.878   5.5528   34.660   6.4795 -10.15267 11.10560 
1 1 1    5    6   25 o   82.922   4.0732   74.888   5.6793 13.06813 8.146486 
1 1 1    5    6   26 o   76.633   4.1195   60.752   5.3471 3.633575 8.238914 
1 1 1    5    6   27 o   87.228   3.4754   79.744   5.4913 8.249207 6.950769 
1 1 1    5    6   28 o   79.595   6.9870   72.268   9.4712 -44.59169 13.97395 
1 1 1    5    6   29 o   58.126   5.2660   33.148   5.5164 -6.069153 10.53192 
1 1 1    5    6   30 o  111.022   3.6845  132.984   7.6940 35.90253 7.369098 
1 1 1    5    6   31 o  324.214   6.5913  574.397   26.770 -218.7729 13.18256 
1 1 1    5    7    0 o  340.212   7.4593  1180.17   48.676 0.000000 0.000000 
1 1 1    5    7    1 o  126.284   2.2212  159.596   5.6091 0.5553055 4.442492 
1 1 1    5    7    2 f   90.466   2.6174   82.322   4.6428 -2.280418 5.234779 
1 1 1    5    7    3 o  144.672   2.3180  209.229   6.7016 4.113129 4.636080 
1 1 1    5    7    4 o  132.223   2.6440  175.003   6.9902 4.240799 5.288042 
1 1 1    5    7    5 o  111.732   2.6411  124.682   5.8939 -5.288620 5.282241 
1 1 1    5    7    6 o  304.621   4.1997  931.688   25.346 -1.883240 8.399482 
1 1 1    5    7    7 o  194.384   2.9583  376.586   11.317 4.952667 5.916631 
1 1 1    5    7    8 o  299.959   6.3217  901.956   37.925      ?      ? 
1 1 1    5    7    9 o  106.119   6.1310  112.871   13.012      ?      ? 
1 1 1    5    7   10 o  346.968   5.4271  1203.67   35.354 -2.730072 10.85416 
1 1 1    5    7   11 o  284.948   3.9914  814.851   22.605 5.646271 7.982701 
1 1 1    5    7   12 o  180.138   2.7336  323.986   9.8347 7.370255 5.467293 
1 1 1    5    7   13 o  334.675   4.6786  1125.74   31.073 -8.300995 9.357156 
1 1 1    5    7   14 o  516.078   8.0218  2613.75   75.447 29.49094 16.04365 
1 1 1    5    7   15 o  304.646   5.7492  916.339   34.578 28.47464 11.49834 
1 1 1    5    7   16 o  175.162   3.2748  303.007   11.340 15.10355 6.549683 
1 1 1    5    7   17 o  212.326   6.0431  451.982   25.662      ?      ? 
1 1 1    5    7   18 o  181.326   4.2503  325.636   15.266 35.27797 8.500636 
1 1 1    5    7   19 o  166.059   3.8101  279.291   12.437 9.773956 7.620114 
1 1 1    5    7   20 o  296.870   4.2981  885.111   25.257 -1.336639 8.596270 
1 1 1    5    7   21 o  110.883   3.4403  123.827   7.6049 -8.755432 6.880569 
1 1 1    5    7   22 o   81.563   4.6714   68.197   7.3399 5.479729 9.342846 
1 1 1    5    7   23 o  153.639   3.2069  235.778   9.4132 -2.868134 6.413801 
1 1 1    5    7   24 o  102.618   3.5677  107.543   6.6816 3.730751 7.135437 
1 1 1    5    7   25 o  109.005   3.7639  130.824   7.4913 38.73863 7.527714 
1 1 1    5    7   26 o  158.024   3.0461  249.630   9.5705 23.84636 6.092160 
1 1 1    5    7   27 o  106.989   3.2384  114.044   6.6601 -5.506485 6.476728 
1 1 1    5    7   28 o   34.040   8.0085   13.866   6.0890 -0.3673172 16.01691 
1 1 1    5    7   29 o  113.153   3.6751  134.314   7.6875 10.21590 7.350266 
1 1 1    5    8    0 o  121.841   3.4803  149.184   8.4459 0.000000 0.000000 
1 1 1    5    8    1 o  160.502   2.7303  257.979   8.6618 0.2404785 5.460546 
1 1 1    5    8    2 o   87.148   3.3222   73.828   5.4132 -7.007729 6.644302 
1 1 1    5    8    3 o   89.843   4.2017   78.633   6.9532 -6.286957 8.403335 
1 1 1    5    8    4 o  286.437   7.4546  823.300   42.705      ?      ? 
1 1 1    5    8    5 o  263.177   3.9971  693.589   21.031 5.270477 7.994153 
1 1 1    5    8    6 o  152.655   3.7530  223.110   11.200 -39.50136 7.506031 
1 1 1    5    8    7 o  411.164   5.5884  1697.39   45.551 2.682343 11.17687 
1 1 1    5    8    8 o  375.682   6.1892  1376.15   44.176 32.76959 12.37840 
1 1 1    5    8    9 o  349.681   4.7971  1228.58   33.368 9.815125 9.594211 
1 1 1    5    8   10 o  197.092   3.1117  389.747   12.199 5.056946 6.223417 
1 1 1    5    8   11 o  174.742   3.0286  305.289   10.482 -1.343979 6.057124 
1 1 1    5    8   12 f  371.458   5.7737  1392.80   40.888 7.941895 11.54733 
1 1 1    5    8   13 o  312.928   5.8864  943.257   35.885 -53.97971 11.77271 
1 1 1    5    8   14 o  397.539   6.2300  1589.21   46.730 2.164978 12.46007 
1 1 1    5    8   16 o  144.924   4.8603  215.250   13.785 -21.57256 9.720603 
1 1 1    5    8   17 o   98.997   6.1587   98.298   12.194      ?      ? 
1 1 1    5    8   18 o  268.076   3.7006  720.401   19.831 -6.141541 7.401140 
1 1 1    5    8   19 o   84.156   7.1891   82.226   9.3398 -21.95097 14.37829 
1 1 1    5    8   20 o  191.319   4.2441  367.649   15.744 1.282532 8.488106 
1 1 1    5    8   21 o  203.016   5.1013  401.409   16.370 10.84435 10.20264 
1 1 1    5    8   22 o  150.299   4.7916  218.092   11.688 10.65556 9.583128 
1 1 1    5    8   23 o  133.220   4.5273  178.593   12.062      ?      ? 
1 1 1    5    8   24 o  115.683   3.8900  137.580   8.6869 8.584335 7.779902 
1 1 1    5    8   25 o  101.934   4.3673  104.776   8.9034      ?      ? 
1 1 1    5    8   26 o  109.772   4.0422  130.472   8.3312 36.91334 8.084453 
1 1 1    5    8   27 o  121.886   3.6671  146.699   8.6996 -11.37735 7.334102 
1 1 1    5    8   28 o  113.623   4.3416  145.892   8.8381 50.03522 8.683266 
1 1 1    5    8   29 o   19.354   6.2854   33.701   6.4943 7.188083 12.57085 
1 1 1    5    9    0 o  155.260   4.5155  245.510   13.288 0.000000 0.000000 
1 1 1    5    9    1 o  247.049   4.0678  616.747   19.110 -7.336609 8.135509 
1 1 1    5    9    2 o  312.855   4.3700  979.378   27.011 2.434875 8.740059 
1 1 1    5    9    3 o  352.199   4.8622  1244.18   33.889 -1.910767 9.724394 
1 1 1    5    9    4 o  264.658   4.9894  701.799   26.403 -5.645691 9.978741 
1 1 1    5    9    5 o  165.820   3.0531  274.417   10.110 8.939468 6.106147 
1 1 1    5    9    6 o  135.676   2.8079  184.606   7.5658 -2.594925 5.615831 
1 1 1    5    9    7 f  313.861   4.3703  986.619   27.151 0.2939758 8.740572 
1 1 1    5    9    8 o   97.299   3.7533   95.566   7.1653 4.373291 7.506686 
1 1 1    5    9    9 o  193.660   3.3520  375.422   12.982 2.398041 6.704072 
1 1 1    5    9   10 o  167.787   3.0286  281.886   10.090 -0.5314789 6.057113 
1 1 1    5    9   11 o  199.358   3.3243  397.092   13.100 2.436844 6.648565 
1 1 1    5    9   12 o  385.725   6.3936  1487.47   48.017 7.378784 12.78722 
1 1 1    5    9   13 o  132.864   4.6260  181.939   11.904 34.93557 9.251994 
1 1 1    5    9   14 o  126.417   4.8799  167.738   11.672 44.76955 9.759787 
1 1 1    5    9   15 o  292.799   4.2611  859.813   24.725 0.3834839 8.522207 
1 1 1    5    9   16 o  184.256   3.8036  334.797   13.317 9.391571 7.607183 
1 1 1    5    9   17 o  142.147   3.7252  202.926   10.300 -0.5580139 7.450474 
1 1 1    5    9   18 o  185.870   3.5509  345.588   13.152 -6.639633 7.101741 
1 1 1    5    9   19 o   96.570   3.8852   94.530   7.4239 7.013786 7.770465 
1 1 1    5    9   20 o  113.106   4.2706  129.256   8.9015 1.296501 8.541153 
1 1 1    5    9   21 o  113.321   4.0539  126.693   8.5629 -6.553375 8.107734 
1 1 1    5    9   22 o  106.520   4.4303  114.899   9.4275 0.8361816E-01 8.860594 
1 1 1    5    9   23 o   80.844   4.5513   64.342   6.8716 -6.325592 9.102535 
1 1 1    5    9   24 o   80.205   6.6516   68.460   10.222 -27.10339 13.30314 
1 1 1    5    9   25 o  108.563   4.1007   96.712   7.7635 -45.70342 8.201468 
1 1 1    5    9   26 o  112.453   4.6961  121.949   10.299 29.59689 9.392122 
1 1 1    5    9   27 o   74.696   6.3221   53.337   8.9625 -29.44481 12.64415 
1 1 1    5    9   28 o   53.867   8.1875   36.895   8.0863 5.429844 16.37510 
1 1 1    5    9   29 o   21.474   10.069   5.8573   10.950      ?      ? 
1 1 1    5   10    0 o  216.445   5.4689  474.088   22.245 0.000000 0.000000 
1 1 1    5   10    1 o  253.948   4.9167  618.710   24.286 45.76886 9.833461 
1 1 1    5   10    2 o  428.849   5.4007  1844.26   46.322 -0.6604614 10.80142 
1 1 1    5   10    3 o  290.909   4.1309  845.105   23.711 -5.245605 8.261799 
1 1 1    5   10    4 o  174.110   3.0795  303.749   10.636 1.485428 6.159082 
1 1 1    5   10    5 o   56.162   5.1353   31.656   5.7103 10.47898 10.27060 
1 1 1    5   10    6 o  235.885   3.5550  553.188   16.490 8.763489 7.109940 
1 1 1    5   10    7 f  159.613   3.2546  256.146   10.200 -3.833511 6.509200 
1 1 1    5   10    8 o  330.980   4.6673  1100.25   30.650 -6.366974 9.334553 
1 1 1    5   10    9 o   68.982   5.9438   47.948   7.9863 1.313377 11.88755 
1 1 1    5   10   10 o  197.929   4.0330  372.374   14.447 -23.14505 8.065994 
1 1 1    5   10   11 o  263.805   4.9068  661.877   24.393 -39.15321 9.813643 
1 1 1    5   10   12 o  217.890   3.5471  477.186   15.395 -9.411987 7.094260 
1 1 1    5   10   13 o  197.628   4.1524  394.636   16.169 -9.463013 8.304869 
1 1 1    5   10   14 o  176.214   3.3802  310.928   11.828 1.011932 6.760493 
1 1 1    5   10   15 o   81.547   4.8604   67.623   7.8308 7.895950 9.720716 
1 1 1    5   10   16 o  170.749   3.3016  291.132   11.149 -4.769699 6.603212 
1 1 1    5   10   17 f   73.323   4.6097   53.963   6.6962 -1.878464 9.219365 
1 1 1    5   10   18 o   83.461   4.2820   70.633   7.0412 3.920364 8.564042 
1 1 1    5   10   19 o  141.063   4.4367  200.622   12.092 0.8798676 8.873445 
1 1 1    5   10   20 o   83.007   4.8994   56.963   7.3073 -38.38920 9.798729 
1 1 1    5   10   21 o   91.676   3.8711   84.099   7.0212 -5.791092 7.742283 
1 1 1    5   10   22 o   85.581   4.3807   75.158   7.4090 12.61432 8.761361 
1 1 1    5   10   23 o  192.001   3.2373  369.858   12.359 -10.98347 6.474583 
1 1 1    5   10   24 o  153.274   4.0440  226.366   12.046 37.22726 8.088040 
1 1 1    5   10   25 o  165.050   4.7492  282.824   15.523 12.76390 9.498471 
1 1 1    5   10   26 o   48.016   8.5678   27.804   9.2698 -25.16473 17.13566 
1 1 1    5   10   27 o   44.355   9.0029   35.794   9.5595 21.40419 18.00573 
1 1 1    5   10   28 o  117.115   6.1749  194.161   14.022 40.61070 12.34983 
1 1 1    5   11    0 o   52.448   12.529   35.704   11.753 0.000000 0.000000 
1 1 1    5   11    1 o  155.327   3.2780  242.812   10.065 5.998459 6.555939 
1 1 1    5   11    2 o  219.107   3.6971  480.698   16.201 0.8952789 7.394279 
1 1 1    5   11    3 o  176.762   3.4618  312.810   12.238 -0.8679962 6.923517 
1 1 1    5   11    4 o  211.111   3.4485  445.693   14.424 -1.716629 6.897022 
1 1 1    5   11    5 o  168.088   3.0980  282.866   10.413 -1.925262 6.195939 
1 1 1    5   11    6 o   85.121   6.1590   73.994   9.1333 51.75342 12.31801 
1 1 1    5   11    7 o   64.523   8.1533   53.505   10.151 54.46781 16.30655 
1 1 1    5   11    8 o  111.294   6.2387  124.185   13.887      ?      ? 
1 1 1    5   11    9 o   69.300   6.3102   48.937   8.6310 9.995827 12.62034 
1 1 1    5   11   10 o  111.758   4.1913  125.295   9.3671 1.796219 8.382531 
1 1 1    5   11   11 o  106.987   9.2749  115.239   19.846      ?      ? 
1 1 1    5   11   12 o  256.733   4.0233  660.574   20.339 1.686630 8.046517 
1 1 1    5   11   13 o  296.824   4.3673  882.312   25.476 5.225769 8.734579 
1 1 1    5   11   14 o  283.643   3.8792  807.657   22.003 2.792236 7.758341 
1 1 1    5   11   15 o   86.473   4.3391   75.320   7.4993 -2.597816 8.678153 
1 1 1    5   11   16 o   80.733   4.2733   65.353   6.8876 -5.455940 8.546500 
1 1 1    5   11   17 o  121.164   4.0920  148.169   9.8645 -4.834312 8.183985 
1 1 1    5   11   18 o   34.525   8.8999   3.7804   10.551 -21.21827 17.79975 
1 1 1    5   11   19 o   85.898   4.4942   78.142   7.3406 17.53069 8.988484 
1 1 1    5   11   20 o   85.657   4.2907   74.529   7.3314 4.881943 8.581317 
1 1 1    5   11   21 o   89.135   4.5811   81.598   8.0508 5.607948 9.162252 
1 1 1    5   11   22 o   86.470   5.7119   79.071   8.9723 6.325691 11.42373 
1 1 1    5   11   23 o  103.055   4.6541  105.897   9.4873 21.56316 9.308153 
1 1 1    5   11   24 o  102.430   5.7597  110.259   11.635 23.07881 11.51946 
1 1 1    5   11   25 o  126.680   4.6209  149.417   10.993 35.33468 9.241880 
1 1 1    5   12    0 o  205.249   5.8975  413.593   22.238 0.000000 0.000000 
1 1 1    5   12    1 o  269.650   4.9394  703.089   25.358 -30.45006 9.878809 
1 1 1    5   12    2 o  163.625   3.5126  267.681   11.368 -2.040863 7.025153 
1 1 1    5   12    3 o  137.750   4.2467  188.604   11.002 -3.358856 8.493317 
1 1 1    5   12    4 o  184.730   4.4142  349.473   15.937 -24.23979 8.828472 
1 1 1    5   12    5 o  163.574   3.9389  268.025   12.828 -21.21581 7.877822 
1 1 1    5   12    6 o  167.592   4.9980  277.868   16.549 -36.78203 9.996017 
1 1 1    5   12    7 o  248.876   4.7176  627.354   23.251 23.06837 9.435136 
1 1 1    5   12    8 o   89.857   4.3752   81.097   7.8482 6.638832 8.750319 
1 1 1    5   12    9 f   68.189   5.2937   46.807   7.2163 0.8690414 10.58745 
1 1 1    5   12   10 o   58.983   5.7751   35.073   6.8103 -2.169155 11.55018 
1 1 1    5   12   11 o  136.447   3.7091  180.516   9.7660 16.77902 7.418122 
1 1 1    5   12   12 o  252.055   3.5890  637.856   18.093 0.6247711 7.178097 
1 1 1    5   12   13 o  121.864   3.6603  149.165   8.8285 -0.1262512 7.320668 
1 1 1    5   12   14 o  109.376   4.3558  124.176   8.9078 10.37210 8.711513 
1 1 1    5   12   15 o  132.522   4.2814  177.598   11.048 -3.095383 8.562746 
1 1 1    5   12   16 o   50.735   6.8433   28.426   6.6403 21.80838 13.68654 
1 1 1    5   12   17 o   58.379   7.0615   35.791   7.7489 -2.267544 14.12300 
1 1 1    5   12   18 o  143.790   3.9950  209.327   11.424 -1.512177 7.989959 
1 1 1    5   12   19 o   83.486   5.9107   71.452   9.5482 0.7407074 11.82149 
1 1 1    5   12   20 o   95.931   4.5884   93.881   8.8023 1.847588 9.176715 
1 1 1    5   12   21 o   91.997   8.6647   88.835   15.943      ?      ? 
1 1 1    5   12   22 o  108.084   5.5817  119.266   11.970 -15.76470 11.16333 
1 1 1    5   12   23 o   36.938   9.3012   13.473   8.8936 -9.394299 18.60248 
1 1 1    5   12   24 o   73.968   6.7004   59.002   9.7963 6.868034 13.40075 
1 1 1    5   12   25 o   99.017   8.5407  107.589   15.088 47.43126 17.08130 
1 1 1    5   13    0 o   26.554   11.091   6.7041   10.525 0.000000 0.000000 
1 1 1    5   13    1 o  127.858   6.6289  164.257   16.951      ?      ? 
1 1 1    5   13    2 f  112.457   6.6429  129.464   12.510 -3.475990 13.28580 
1 1 1    5   13    3 o  214.316   3.6612  460.431   15.517 0.8551025 7.322457 
1 1 1    5   13    4 o  164.525   4.1364  260.078   13.213 28.71422 8.272897 
1 1 1    5   13    5 o  125.321   3.4227  157.568   8.5758 -3.795395 6.845439 
1 1 1    5   13    6 o  213.992   3.3286  459.285   14.246 1.915329 6.657300 
1 1 1    5   13    7 o  124.428   5.1988  156.102   12.925 -5.067093 10.39759 
1 1 1    5   13    8 o  143.131   3.2216  205.432   9.2208 3.495132 6.443300 
1 1 1    5   13    9 o   84.986   4.5549   71.830   7.6543 -6.765533 9.109879 
1 1 1    5   13   10 o  126.557   4.3644  160.685   10.943 -2.651154 8.728729 
1 1 1    5   13   11 o  120.721   3.6699  144.912   8.6898 -6.384888 7.339854 
1 1 1    5   13   12 o  121.971   4.5885  158.212   10.529 26.79121 9.177073 
1 1 1    5   13   13 o  103.418   3.9933  106.529   8.0582 -5.077187 7.986642 
1 1 1    5   13   14 o  138.587   3.5032  193.326   9.4722 -0.1961975 7.006393 
1 1 1    5   13   15 o   94.295   6.4769   81.084   9.1951 -14.93155 12.95389 
1 1 1    5   13   16 o   82.020   5.5033   68.958   8.9874 3.612366 11.00669 
1 1 1    5   13   17 o  152.538   5.5372  235.720   16.893      ?      ? 
1 1 1    5   13   18 f   43.014   10.734   18.751   11.928 10.20423 21.46709 
1 1 1    5   13   19 o   83.856   8.0252   78.607   13.040 11.62507 16.05049 
1 1 1    5   13   20 o   47.748   12.439   19.078   16.815 13.19926 24.87712 
1 1 1    5   13   21 o   30.064   9.2878  -1.4686   10.904 6.348885 18.57554 
1 1 1    5   13   22 o  118.269   5.5997  141.543   13.027 24.70199 11.19940 
1 1 1    5   14    0 o   42.616   12.017   25.392   9.9929 0.000000 0.000000 
1 1 1    5   14    1 o   99.986   4.2730  101.127   8.4263 -3.356560 8.546101 
1 1 1    5   14    2 o   37.765   8.4445   14.310   7.5942 12.04579 16.88891 
1 1 1    5   14    3 o   59.534   7.4505   38.102   8.3877 23.45859 14.90093 
1 1 1    5   14    4 o   94.736   3.9862   90.240   7.5521 1.195602 7.972466 
1 1 1    5   14    5 o  127.288   3.3511  162.579   8.5298 -3.017235 6.702169 
1 1 1    5   14    6 o  102.210   4.3421  108.679   8.5675 -18.02019 8.684297 
1 1 1    5   14    7 o   58.818   7.4275   40.499   7.9031 -27.48463 14.85502 
1 1 1    5   14    8 o   62.832   5.8727   39.791   7.3650 4.464882 11.74538 
1 1 1    5   14    9 o  104.736   3.6399  110.057   7.6120 -8.442070 7.279770 
1 1 1    5   14   10 o  127.503   3.2958  163.617   8.4036 -0.6829376 6.591545 
1 1 1    5   14   11 o   81.671   4.6931   67.332   7.5381 -1.277992 9.386157 
1 1 1    5   14   12 o   88.442   4.6700   80.168   8.1730 11.64378 9.340098 
1 1 1    5   14   13 o   29.126   8.2396   4.6747   7.4109 -3.932280 16.47920 
1 1 1    5   14   14 o   41.963   9.3631   19.088   8.7077 -3.894348 18.72626 
1 1 1    5   14   15 o   49.050   9.8674   27.455   9.9666 -5.980465 19.73483 
1 1 1    5   14   16 o  143.545   4.3453  200.091   12.054 25.34041 8.690655 
1 1 1    5   14   17 o  120.040   5.7406  143.974   13.491 19.37649 11.48114 
1 1 1    5   14   18 o  129.962   6.2074  166.128   15.334 57.43471 12.41486 
1 1 1    5   14   19 o   75.515   7.5884   51.924   10.459 28.33437 15.17678 
1 1 1    5   14   20 o   37.862   10.404   6.7419   9.8697 22.72075 20.80719 
1 1 1    5   14   21 o  122.432   6.5005  172.350   14.507 24.90929 13.00099 
1 1 1    5   14   22 o   90.629   12.215   86.573   22.142      ?      ? 
1 1 1    5   15    0 o   29.171   16.473   12.056   14.523 0.000000 0.000000 
1 1 1    5   15    1 o  151.148   3.5620  228.747   10.690 -5.623566 7.124019 
1 1 1    5   15    2 o  115.068   4.3008  133.275   9.8663 12.94507 8.601585 
1 1 1    5   15    3 f   50.165   8.2905   27.018   8.1901 -7.750633 16.58106 
1 1 1    5   15    4 o   82.760   4.4205   69.430   7.2963 2.246971 8.841042 
1 1 1    5   15    5 o   68.714   5.0654   47.783   6.9480 -5.707298 10.13074 
1 1 1    5   15    6 o   57.897   6.4059   35.127   7.1573 -9.238972 12.81188 
1 1 1    5   15    7 o   46.190   8.9943   22.028   8.2461 -7.940502 17.98850 
1 1 1    5   15    8 o   93.268   4.9693   89.955   8.5772 4.858292 9.938656 
1 1 1    5   15    9 o   57.855   6.5500   35.324   7.1834 19.34007 13.09994 
1 1 1    5   15   10 o   42.270   9.0356   19.223   8.2010 -0.1169968 18.07122 
1 1 1    5   15   11 o   94.628   6.0050   89.613   10.053 4.670380 12.00999 
1 1 1    5   15   12 o   54.955   8.2739   33.635   8.5333 -7.891895 16.54787 
1 1 1    5   15   13 o   30.189   8.5611   5.3690   8.0163 -4.619778 17.12223 
1 1 1    5   15   14 o   46.252   9.5343   24.373   9.2963 7.007782 19.06869 
1 1 1    5   15   15 o  132.635   9.1129  201.789   19.551 -91.05915 18.22574 
1 1 1    5   15   16 o   26.887   9.0166  -8.9941   12.946 -2.291412 18.03311 
1 1 1    5   15   17 o   53.097   9.3566   32.626   9.7583 0.5067177 18.71326 
1 1 1    5   15   18 o   37.755   9.2942   14.800   9.3859 -13.70889 18.58841 
1 1 1    5   15   20 o   67.450   9.8652   46.725   11.808 13.03910 19.73042 
1 1 1    5   16    0 o   46.716   11.898   24.178   11.741 0.000000 0.000000 
1 1 1    5   16    1 o   33.198   8.9416   8.6229   8.2555 3.643518 17.88328 
1 1 1    5   16    2 o   94.309   4.3332   90.189   8.1703 2.972801 8.666339 
1 1 1    5   16    3 o   84.479   5.3122   75.314   8.6147 13.52301 10.62431 
1 1 1    5   16    4 o   48.635   8.9142   27.178   8.5241 8.812828 17.82844 
1 1 1    5   16    5 o   57.268   7.0586   35.457   7.6796 8.503826 14.11716 
1 1 1    5   16    6 o   62.869   6.5826   41.109   8.2556 3.300259 13.16527 
1 1 1    5   16    7 o   40.047   8.8428   16.859   7.9253 7.930199 17.68565 
1 1 1    5   16    8 o   38.432   8.6402   15.776   7.5035 3.624519 17.28048 
1 1 1    5   16    9 o   29.417   8.2886   5.5877   7.3906 -2.400955 16.57721 
1 1 1    5   16   10 o   42.779   8.6552   20.644   7.6929 4.350887 17.31042 
1 1 1    5   16   11 o  154.534   5.4613  219.260   15.782 -77.50018 10.92265 
1 1 1    5   16   12 o  248.447   7.5289  624.490   37.411      ?      ? 
1 1 1    5   16   14 o   48.841   10.109   28.599   10.770 -10.50687 20.21728 
1 1 1    5   16   15 o   60.423   8.4417   41.423   9.8377 -2.236423 16.88347 
1 1 1    5   16   16 o   81.928   7.8847   78.142   12.820 -4.127991 15.76942 
1 1 1    5   16   17 o   88.242   9.2251   62.352   14.732 96.47792 18.45013 
1 1 1    5   17    0 o   27.683   11.821   10.400   11.688 0.000000 0.000000 
1 1 1    5   17    1 o   50.607   9.8364   30.707   10.064 -4.981918 19.67275 
1 1 1    5   17    2 o   85.790   8.0453   76.674   11.415 3.147293 16.09061 
1 1 1    5   17    3 o   68.114   7.9764   49.647   10.596 8.981037 15.95285 
1 1 1    5   17    4 o   44.140   9.3130   19.871   9.1217 -15.37374 18.62599 
1 1 1    5   17    5 o   55.599   9.3849   29.160   10.169 -26.87044 18.76974 
1 1 1    5   17    6 o   51.285   9.8493   26.327   10.055 -12.54245 19.69863 
1 1 1    5   17    7 f   88.939   6.4175   86.810   10.550 26.75017 12.83500 
1 1 1    5   17    8 o   25.899   8.4836  -3.3820   10.100 -2.635870 16.96720 
1 1 1    5   17    9 o   47.164   9.8196   25.772   9.9163 4.657719 19.63911 
1 1 1    5   17   10 o   38.947   9.5819   16.014   9.4101 -10.06981 19.16372 
1 1 1    5   17   11 o   57.645   8.4307   37.620   9.4019 -3.818432 16.86146 
1 1 1    5   17   12 o   38.381   9.7540   15.695   9.5230 -0.7448425 19.50796 
1 1 1    5   17   14 f   56.296   10.546   35.550   12.677 20.03669 21.09141 
1 1 1    5   18    0 o   55.466   13.443   44.262   15.315 0.000000 0.000000 
1 1 1    5   18    1 o   58.980   9.0881   40.588   10.421 -9.069073 18.17620 
1 1 1    5   18    2 o   45.913   10.106   24.870   10.314 3.856827 20.21284 
1 1 1    5   18    3 o   92.080   5.9617   89.380   10.813 3.064301 11.92342 
1 1 1    5   18    4 o   92.916   5.8423   90.586   10.839 6.763107 11.68453 
1 1 1    5   18    5 o   44.078   9.8100   22.745   9.6068 -1.897896 19.62000 
1 1 1    5   18    6 o   82.187   6.9465   70.012   11.160 13.03919 13.89294 
1 1 1    5   18    7 o   34.526   10.055   8.4854   10.898 8.157478 20.10924 
1 1 1    5   18    9 o   71.574   8.6705   57.806   11.544 51.61061 17.34101 
1 1 1    5   18   10 o   58.429   9.5994   37.839   11.008 2.411541 19.19885 
1 1 1    5   19    0 o   27.848   12.239   21.343   15.038 0.000000 0.000000 
1 1 1    6    0    0 o  196.252   5.0485  386.811   19.757 0.000000 0.000000 
1 1 1    6    0    1 o  324.105   5.7171  1053.54   37.007 0.000000 0.000000 
1 1 1    6    0    2 o   92.900   2.2317   86.619   4.1359 0.000000 0.000000 
1 1 1    6    0    3 o  486.095   10.468  2380.99   96.029 0.000000 0.000000 
1 1 1    6    0    4 o  247.737   5.0500  627.019   22.327 0.000000 0.000000 
1 1 1    6    0    5 o  280.181   6.0666  792.620   32.322 0.000000 0.000000 
1 1 1    6    0    6 f  220.681   4.8875  483.481   20.060 0.000000 0.000000 
1 1 1    6    0    7 o  157.970   3.0446  250.166   9.6024 0.000000 0.000000 
1 1 1    6    0    8 o  182.394   4.2629  332.535   14.392 0.000000 0.000000 
1 1 1    6    0    9 o   54.146   3.3430   29.939   3.5574 0.000000 0.000000 
1 1 1    6    0   10 o  163.055   3.1727  265.943   10.307 0.000000 0.000000 
1 1 1    6    0   11 o   64.086   3.2849   41.852   4.1542 0.000000 0.000000 
1 1 1    6    0   12 o  226.557   4.1742  513.813   18.849 0.000000 0.000000 
1 1 1    6    0   13 o  115.197   3.3999  133.657   7.6733 0.000000 0.000000 
1 1 1    6    0   14 o  331.480   5.9304  1097.51   39.094 0.000000 0.000000 
1 1 1    6    0   15 o  115.206   4.8617  138.314   10.758 0.000000 0.000000 
1 1 1    6    0   16 o  381.999   6.8071  1457.71   51.727 0.000000 0.000000 
1 1 1    6    0   17 o  229.273   6.2331  524.174   28.358 0.000000 0.000000 
1 1 1    6    0   18 o  214.859   5.8219  460.803   24.768 0.000000 0.000000 
1 1 1    6    0   19 o  197.068   5.9421  386.553   22.939 0.000000 0.000000 
1 1 1    6    0   20 o  294.814   6.8581  893.908   39.139 0.000000 0.000000 
1 1 1    6    0   21 o  199.656   6.4466  402.898   25.487 0.000000 0.000000 
1 1 1    6    0   22 o  177.872   6.6144  321.245   23.274 0.000000 0.000000 
1 1 1    6    0   23 o  117.555   7.4530  145.294   16.715 0.000000 0.000000 
1 1 1    6    0   24 o  177.460   5.9868  316.969   21.195 0.000000 0.000000 
1 1 1    6    0   25 f  254.029   6.2259  657.007   29.845 0.000000 0.000000 
1 1 1    6    0   26 o  161.559   5.6045  248.010   16.979 0.000000 0.000000 
1 1 1    6    0   27 o  110.862   5.7415  123.839   12.108 0.000000 0.000000 
1 1 1    6    0   28 o  130.255   4.4055  172.334   11.399 0.000000 0.000000 
1 1 1    6    0   29 o   31.219   10.124   5.4848   9.8572 0.000000 0.000000 
1 1 1    6    0   31 o   36.312   11.894   21.363   10.069 0.000000 0.000000 
1 1 1    6    1    0 o  184.308   3.3776  340.506   12.432 0.000000 0.000000 
1 1 1    6    1    1 o  300.270   3.7455  902.412   22.493 -1.379730 7.491064 
1 1 1    6    1    2 o  283.735   4.0948  805.869   23.236 0.6663513 8.189606 
1 1 1    6    1    3 o  209.935   3.4495  441.661   14.247 1.728210 6.899011 
1 1 1    6    1    4 o  437.747   5.4174  1919.28   47.429 -0.7565002 10.83479 
1 1 1    6    1    5 o   75.680   1.7656   57.226   2.6568 0.7097473 3.531241 
1 1 1    6    1    6 o  255.409   3.9233  653.405   18.959 -0.6015778 7.846594 
1 1 1    6    1    7 o  163.714   2.5425  268.160   8.3248 0.4065399 5.085032 
1 1 1    6    1    8 o  202.879   2.7273  410.355   10.696 2.867447 5.454672 
1 1 1    6    1    9 o  105.737   1.8679  112.785   3.8665 -4.562523 3.735713 
1 1 1    6    1   10 o  122.568   1.9927  150.337   4.7610 -0.6548309E-01 3.985357 
1 1 1    6    1   11 o  198.702   3.0014  395.483   11.927 -1.179382 6.002876 
1 1 1    6    1   12 o  348.025   4.5059  1217.03   30.446 -2.563568 9.011744 
1 1 1    6    1   13 o  246.624   3.2858  612.606   15.826 -6.236755 6.571629 
1 1 1    6    1   14 o  110.036   3.7728  121.184   8.3028      ?      ? 
1 1 1    6    1   15 o  254.577   4.1304  613.783   18.771 29.98500 8.260717 
1 1 1    6    1   16 o  288.013   3.9938  826.456   22.657 8.254883 7.987573 
1 1 1    6    1   17 o  204.474   3.2732  417.692   13.366 -7.093430 6.546353 
1 1 1    6    1   18 o  269.067   4.6181  692.381   23.347 34.39107 9.236238 
1 1 1    6    1   19 o  181.779   3.3244  324.938   11.979 28.86630 6.648839 
1 1 1    6    1   20 o   78.260   6.6367   61.424   10.388      ?      ? 
1 1 1    6    1   21 o  184.045   3.7799  342.213   13.022 -4.339600 7.559855 
1 1 1    6    1   22 o  155.942   4.7959  243.693   14.958      ?      ? 
1 1 1    6    1   23 o  241.197   4.9011  578.648   23.381 18.16364 9.802170 
1 1 1    6    1   24 o  222.909   3.8468  493.446   16.999 19.44601 7.693630 
1 1 1    6    1   25 o  138.278   4.8835  199.544   13.044 -32.48851 9.766928 
1 1 1    6    1   26 o  125.143   4.0291  155.752   9.2740 4.338234 8.058272 
1 1 1    6    1   27 o  104.757   4.5082  117.354   8.4617 -14.65216 9.016465 
1 1 1    6    1   28 o  122.143   3.3459  150.039   8.0823 2.929672 6.691740 
1 1 1    6    1   29 o  107.803   4.4910  113.350   8.9808 12.36402 8.982077 
1 1 1    6    1   30 o  196.479   7.1539  390.336   28.112      ?      ? 
1 1 1    6    1   31 o  125.678   4.8983  151.660   11.264 21.01131 9.796690 
1 1 1    6    2    0 o   16.509   6.3738   2.8550   3.0649 0.000000 0.000000 
1 1 1    6    2    1 o  239.736   3.9134  573.874   18.330 -2.569870 7.826820 
1 1 1    6    2    2 o   94.801   1.9352   89.828   3.6665 -1.606346 3.870422 
1 1 1    6    2    3 o  216.010   2.9768  467.377   12.747 -1.978561 5.953604 
1 1 1    6    2    4 o  197.548   3.1285  389.514   11.623 1.375778 6.256955 
1 1 1    6    2    5 o  443.614   8.7507  1967.20   61.533 2.425873 17.50147 
1 1 1    6    2    6 o  516.105   10.202  2665.20   83.215 3.476196 20.40374 
1 1 1    6    2    7 o  310.286   4.6193  963.510   25.756 0.4958191 9.238588 
1 1 1    6    2    8 o  181.415   2.9011  329.744   9.3895 -0.4569702 5.802258 
1 1 1    6    2    9 o  457.372   7.0055  2107.96   60.310 -0.7474670 14.01091 
1 1 1    6    2   10 o  110.261   2.4187  121.306   5.3249 -7.984566 4.837315 
1 1 1    6    2   11 o  251.277   3.7568  632.391   18.866 6.073837 7.513670 
1 1 1    6    2   12 o  192.051   3.4500  370.630   13.055 -3.405807 6.900012 
1 1 1    6    2   13 o  246.475   5.2892  614.845   22.869 -4.331345 10.57846 
1 1 1    6    2   14 o  250.841   5.4435  630.356   27.309      ?      ? 
1 1 1    6    2   15 o   65.753   5.4285   43.297   7.1388      ?      ? 
1 1 1    6    2   16 o  339.103   4.9610  1150.56   33.601 -10.19833 9.921916 
1 1 1    6    2   17 f  437.952   5.6764  1922.18   48.096 1.387360 11.35279 
1 1 1    6    2   18 o  249.504   3.8590  635.645   18.075 -14.90477 7.717978 
1 1 1    6    2   21 o  135.035   3.8309  141.519   9.1020 79.45500 7.661890 
1 1 1    6    2   22 o  148.240   3.5136  210.531   10.168 31.55922 7.027113 
1 1 1    6    2   23 o  112.732   3.4233  126.994   7.6398 -2.933243 6.846538 
1 1 1    6    2   24 o   94.221   4.5087   83.936   7.9746 16.01154 9.017482 
1 1 1    6    2   25 o   83.921   5.6310   78.929   8.2288 22.27990 11.26195 
1 1 1    6    2   26 o  103.925   4.3963  110.350   8.5274 3.398087 8.792509 
1 1 1    6    2   27 o   43.010   7.3052   19.908   6.2100 -2.161407 14.61047 
1 1 1    6    2   28 o  174.722   4.5467  283.261   15.110 71.96886 9.093327 
1 1 1    6    2   29 o   64.156   7.4326   38.407   8.5130 22.59410 14.86520 
1 1 1    6    2   30 o   34.314   13.179   9.6087   12.748      ?      ? 
1 1 1    6    2   31 o   77.875   8.1854   65.307   9.4140 -2.343880 16.37075 
1 1 1    6    3    0 f  260.590   6.5973  680.786   34.335 0.000000 0.000000 
1 1 1    6    3    2 o  409.191   6.5453  1684.79   52.801 -9.662231 13.09064 
1 1 1    6    3    3 o  248.814   4.0728  617.987   19.781 3.083023 8.145667 
1 1 1    6    3    4 o  390.569   5.2330  1531.44   40.607 7.581177 10.46598 
1 1 1    6    3    5 o  174.393   2.5275  304.294   8.7429 0.7756042E-01 5.055042 
1 1 1    6    3    6 o  446.893   6.8010  2012.87   57.616 6.005371 13.60198 
1 1 1    6    3    7 o  155.184   3.1897  205.456   9.0313 -58.17390 6.379417 
1 1 1    6    3    8 f   99.466   1.9395   99.150   3.8509 3.083710 3.879033 
1 1 1    6    3    9 f   87.792   3.1370   77.103   5.5045 2.869461 6.274097 
1 1 1    6    3   10 o  249.185   3.9478  623.326   18.494 -0.8999329 7.895692 
1 1 1    6    3   11 o   35.860   6.5106   13.522   4.6266 -1.662266 13.02126 
1 1 1    6    3   12 o  114.260   3.0169  132.517   6.6908 -6.856674 6.033733 
1 1 1    6    3   13 o  239.986   4.5047  576.709   21.591 5.216446 9.009435 
1 1 1    6    3   14 o  414.961   7.3931  1727.60   61.201 16.24109 14.78621 
1 1 1    6    3   15 o  276.049   7.1366  763.889   39.401      ?      ? 
1 1 1    6    3   16 o  393.079   7.9516  1517.05   48.379 13.37747 15.90322 
1 1 1    6    3   17 o  434.537   8.8378  1825.96   58.102 24.87128 17.67562 
1 1 1    6    3   18 o  373.670   5.7997  1414.26   41.456 -13.06577 11.59949 
1 1 1    6    3   19 o  134.705   6.1352  181.875   16.529      ?      ? 
1 1 1    6    3   20 o  270.411   7.0535  733.814   38.147      ?      ? 
1 1 1    6    3   21 o  315.280   8.0759  999.220   50.923      ?      ? 
1 1 1    6    3   22 o  347.260   5.8045  1208.58   39.287 8.190643 11.60903 
1 1 1    6    3   23 o  194.166   5.1345  378.403   19.939      ?      ? 
1 1 1    6    3   24 o   90.967   7.3421   83.477   13.358      ?      ? 
1 1 1    6    3   25 o  163.079   5.8336  143.358   12.887 181.5107 11.66719 
1 1 1    6    3   26 o   91.331   3.2269   81.157   5.4039 -7.182602 6.453760 
1 1 1    6    3   27 f   58.205   7.2635   47.925   5.9436 31.30124 14.52694 
1 1 1    6    3   28 o  134.862   5.3061  182.592   12.804 84.23451 10.61210 
1 1 1    6    3   29 o   70.891   7.0793   46.604   8.5990 61.15981 14.15854 
1 1 1    6    3   30 o   83.000   6.7112   73.092   11.141      ?      ? 
1 1 1    6    3   31 o   54.945   8.5941   29.831   8.6563 23.17207 17.18820 
1 1 1    6    3   32 o  306.913   5.3153  945.168   32.406 -49.75394 10.63058 
1 1 1    6    4    0 o  556.310   11.911  3160.99  127.606 0.000000 0.000000 
1 1 1    6    4    1 o  184.954   2.4657  342.223   9.1205 0.8375854 4.931353 
1 1 1    6    4    2 o  198.734   2.8379  396.248   11.199 -4.729126 5.675761 
1 1 1    6    4    3 o   93.470   2.1176   87.980   3.8878 -3.510773 4.235246 
1 1 1    6    4    4 o   64.847   2.2483   42.025   2.9138 1.817337 4.496534 
1 1 1    6    4    5 o  102.935   2.1643  106.002   4.4553 1.477356 4.328524 
1 1 1    6    4    6 f  239.500   3.0708  574.211   14.705 3.224640 6.141681 
1 1 1    6    4    7 o  159.063   3.2845  252.916   10.433 5.741547 6.569057 
1 1 1    6    4    8 f   98.214   3.1511   96.293   6.1678 -11.67414 6.302230 
1 1 1    6    4    9 o   94.743   2.3406   91.033   4.2656 4.794792 4.681254 
1 1 1    6    4   10 o  232.607   3.7317  552.697   16.815 -20.37402 7.463335 
1 1 1    6    4   11 o  144.969   2.7376  211.566   7.8951 12.57799 5.475174 
1 1 1    6    4   12 o  139.279   2.7808  189.902   7.0804 -7.397598 5.561574 
1 1 1    6    4   13 o  114.020   3.3850  114.505   7.1039 63.02152 6.770052 
1 1 1    6    4   14 o  181.751   3.8140  329.444   13.795 7.054443 7.627930 
1 1 1    6    4   15 o  381.993   5.5925  1459.83   42.651 14.21130 11.18495 
1 1 1    6    4   16 o  238.421   4.6519  568.454   22.152 -9.388275 9.303859 
1 1 1    6    4   17 o  108.487   3.5118  117.778   7.6104 -7.384521 7.023505 
1 1 1    6    4   18 o  305.053   7.9784  933.613   48.677      ?      ? 
1 1 1    6    4   19 o  408.797   10.428  1683.12   85.256      ?      ? 
1 1 1    6    4   20 o  241.234   9.4828  586.470   45.751      ?      ? 
1 1 1    6    4   21 o  507.385   10.432  2686.72   95.058 -31.84006 20.86403 
1 1 1    6    4   22 o  147.242   5.1369  217.586   15.127      ?      ? 
1 1 1    6    4   23 o   94.311   4.1157   89.453   5.3307 0.3761520 8.231333 
1 1 1    6    4   24 o  328.873   5.3528  1057.79   31.510 -22.86780 10.70564 
1 1 1    6    4   25 o  167.398   3.5423  270.931   11.620 40.07347 7.084610 
1 1 1    6    4   26 o  131.114   2.8159  170.938   6.9385 -3.945358 5.631871 
1 1 1    6    4   27 o  184.803   5.2565  347.882   15.083 1.521835 10.51303 
1 1 1    6    4   28 o   80.430   4.3366   65.977   6.9573 7.456245 8.673254 
1 1 1    6    4   29 o  136.330   4.7608  127.597   10.649 -104.9787 9.521514 
1 1 1    6    4   30 o   82.046   3.9622   67.595   6.2566 -4.174271 7.924418 
1 1 1    6    4   31 o   96.325   3.8928   95.278   7.4816 1.155548 7.785591 
1 1 1    6    5    0 o   38.460   6.1749   17.377   4.0886 0.000000 0.000000 
1 1 1    6    5    1 o  155.933   2.2402  243.264   6.9860 1.793793 4.480393 
1 1 1    6    5    2 f  193.727   2.8140  376.838   10.829 5.616287 5.627918 
1 1 1    6    5    3 o  304.481   4.4474  929.656   27.080 2.684448 8.894857 
1 1 1    6    5    4 o  233.955   3.0278  548.145   14.167 1.141296 6.055659 
1 1 1    6    5    5 o  136.688   2.7186  190.964   6.9954 -8.938507 5.437276 
1 1 1    6    5    6 o  158.129   3.0171  243.221   9.0310 13.53481 6.034194 
1 1 1    6    5    7 o  148.981   3.2462  222.421   9.6715 -1.731262 6.492442 
1 1 1    6    5    8 o  129.697   2.8960  168.336   7.5073 6.525284 5.791995 
1 1 1    6    5    9 o  182.012   3.2530  317.093   11.186 23.63162 6.505981 
1 1 1    6    5   10 o  197.540   3.0770  390.893   12.156 0.6590881 6.153914 
1 1 1    6    5   11 o  299.813   4.1362  895.856   24.383 8.675354 8.272368 
1 1 1    6    5   12 o  125.901   2.7113  157.484   6.7942 -9.123436 5.422555 
1 1 1    6    5   13 o   61.496   3.0623   37.784   3.7509 -1.168861 6.124681 
1 1 1    6    5   14 o  434.796   5.4422  1895.25   47.322 -3.713287 10.88441 
1 1 1    6    5   15 o  249.236   4.3353  610.654   20.610 -14.97417 8.670583 
1 1 1    6    5   16 o  295.859   4.9404  843.690   27.479 32.00406 9.880777 
1 1 1    6    5   17 o  170.139   3.8958  290.338   12.894 -1.190369 7.791616 
1 1 1    6    5   18 o  221.551   6.6794  492.275   29.597      ?      ? 
1 1 1    6    5   19 o  310.865   7.1555  990.585   42.990 23.18954 14.31101 
1 1 1    6    5   20 o  256.837   6.5687  602.038   29.283 -46.89658 13.13744 
1 1 1    6    5   21 o   79.114   5.7882   61.258   9.0218 16.74226 11.57650 
1 1 1    6    5   22 o   81.914   8.8251   67.854   14.458      ?      ? 
1 1 1    6    5   23 o   83.818   5.8403   71.059   9.7548 9.433044 11.68067 
1 1 1    6    5   24 o  209.469   6.4482  442.074   27.014      ?      ? 
1 1 1    6    5   25 o  198.174   5.2904  385.291   16.027 8.718781 10.58083 
1 1 1    6    5   26 o  167.117   5.3288  285.841   13.793 -2.975098 10.65760 
1 1 1    6    5   27 o   66.543   4.0683   43.475   4.2676 -2.927895 8.136501 
1 1 1    6    5   28 o   44.723   5.6006   14.116   4.1366 -32.47678 11.20120 
1 1 1    6    5   29 o   16.406   5.6697  -9.6873   4.6025 -7.949271 11.33934 
1 1 1    6    5   30 o   55.265   5.0714   30.971   5.0774 -2.019661 10.14271 
1 1 1    6    6    0 o  228.675   4.2445  524.709   19.382 0.000000 0.000000 
1 1 1    6    6    1 o  142.222   2.2068  202.410   6.2769 1.049896 4.413694 
1 1 1    6    6    2 f  222.878   2.9345  497.446   13.081 0.3248444 5.869001 
1 1 1    6    6    3 o   91.632   2.2510   84.064   4.1233 3.323502 4.501929 
1 1 1    6    6    4 o  140.885   2.9391  187.610   7.7498 -21.63367 5.878276 
1 1 1    6    6    5 o  248.568   3.4892  617.609   17.105 -3.721161 6.978356 
1 1 1    6    6    6 o  179.288   2.7433  322.432   9.7420 2.529190 5.486505 
1 1 1    6    6    7 o  148.441   2.4812  219.893   7.2828 -2.940521 4.962341 
1 1 1    6    6    8 o  223.345   4.2694  500.009   19.050 4.475403 8.538852 
1 1 1    6    6    9 o  105.351   4.6171  105.695   7.5707 8.279091 9.234112 
1 1 1    6    6   10 o  201.006   3.5685  406.431   14.114 -5.151642 7.137010 
1 1 1    6    6   11 o  377.781   5.1288  1434.42   38.489 -7.982483 10.25758 
1 1 1    6    6   12 o  295.226   3.8181  872.794   22.543 0.2725525 7.636123 
1 1 1    6    6   13 o  288.132   4.7530  836.095   27.171 -13.34351 9.506060 
1 1 1    6    6   14 o  282.783   3.9722  801.938   22.299 3.098206 7.944391 
1 1 1    6    6   15 o  327.543   6.0998  901.150   35.184 -113.4355 12.19952 
1 1 1    6    6   16 f   76.885   4.1888   62.467   6.0411 15.14304 8.377638 
1 1 1    6    6   17 o   88.244   5.1430   78.003   9.0768      ?      ? 
1 1 1    6    6   18 o  242.087   4.2771  591.875   20.540 17.68723 8.554258 
1 1 1    6    6   19 o  183.400   3.5485  330.503   12.886 -32.29012 7.097002 
1 1 1    6    6   20 o  154.486   3.0734  241.253   8.8152 3.772690 6.146755 
1 1 1    6    6   21 f  109.550   5.4790  114.002   11.260 54.56214 10.95807 
1 1 1    6    6   22 o  134.240   4.2012  182.662   11.044 -5.469498 8.402389 
1 1 1    6    6   23 o   79.662   9.8740   83.587   12.770 -42.75363 19.74797 
1 1 1    6    6   24 f  137.602   3.9693  193.978   10.385 -7.274902 7.938637 
1 1 1    6    6   25 o   88.332   4.9585   80.400   8.3624 -4.449417 9.917025 
1 1 1    6    6   26 o   63.575   6.4838   41.058   7.8985 3.609493 12.96763 
1 1 1    6    6   27 o  105.169   5.0343  112.066   10.589      ?      ? 
1 1 1    6    6   28 o   33.303   13.381   5.7794   13.621      ?      ? 
1 1 1    6    6   29 o   66.849   6.8787   43.494   8.5706 14.30347 13.75738 
1 1 1    6    6   30 f   72.407   7.7122   62.307   9.2556 -16.81318 15.42434 
1 1 1    6    6   31 o   17.149   8.5131 -24.2209   11.137      ?      ? 
1 1 1    6    7    0 o  164.276   3.5120  269.605   11.478 0.000000 0.000000 
1 1 1    6    7    1 o  117.121   2.4084  137.073   5.5979 1.510017 4.816740 
1 1 1    6    7    2 o  120.479   2.4488  145.902   5.8533 -4.434143 4.897669 
1 1 1    6    7    3 o  164.716   2.6501  271.006   8.6295 2.405624 5.300179 
1 1 1    6    7    4 o  176.051   2.9380  310.048   10.336 -4.633316 5.875919 
1 1 1    6    7    5 o   48.742   6.5435   23.881   6.2078 12.36857 13.08692 
1 1 1    6    7    6 o  139.567   2.4112  194.973   6.7301 -2.091568 4.822423 
1 1 1    6    7    7 o  226.531   3.5365  513.972   16.022 -0.4111938 7.072918 
1 1 1    6    7    8 o  268.340   3.7876  719.740   20.089 -3.761414 7.575132 
1 1 1    6    7    9 o  230.931   3.8570  527.763   16.625 -7.444061 7.713950 
1 1 1    6    7   10 o  369.652   5.7418  1365.39   39.834 -3.780487 11.48354 
1 1 1    6    7   11 o  300.513   4.7048  918.917   27.443 21.40125 9.409651 
1 1 1    6    7   12 o  374.288   5.1281  1403.86   38.008 -0.9017029 10.25613 
1 1 1    6    7   13 o  380.489   5.5876  1452.28   42.520 -2.282135 11.17527 
1 1 1    6    7   14 f  624.713   10.260  3769.57  119.363 71.24048 20.52036 
1 1 1    6    7   15 o  218.052   6.3800  476.463   27.823      ?      ? 
1 1 1    6    7   16 o  195.183   3.9407  381.155   15.225 2.008163 7.881496 
1 1 1    6    7   17 o  252.671   3.5365  639.673   17.871 -1.172333 7.073009 
1 1 1    6    7   18 o  168.518   3.7823  262.175   11.702 -32.41661 7.564630 
1 1 1    6    7   19 o  224.996   3.5570  504.874   15.828 -8.080765 7.113951 
1 1 1    6    7   20 o  167.997   3.1426  283.904   10.510 -6.766205 6.285128 
1 1 1    6    7   21 o   78.568   4.1656   62.236   6.5140 1.823891 8.331182 
1 1 1    6    7   22 o  176.831   3.3168  313.574   11.495 -1.162018 6.633561 
1 1 1    6    7   23 o  122.687   3.2346  155.116   7.0360 6.957916 6.469198 
1 1 1    6    7   24 o   72.431   4.7564   59.382   5.2049 13.98830 9.512749 
1 1 1    6    7   25 o   98.438   4.3382   94.927   6.0957 -3.913445 8.676418 
1 1 1    6    7   26 o   92.738   3.4273   87.140   5.7266 0.8357162 6.854618 
1 1 1    6    7   27 o   78.351   6.0737   60.744   9.1805 8.615875 12.14739 
1 1 1    6    7   28 o   88.499   5.4259   82.571   9.3111 -1.303154 10.85184 
1 1 1    6    7   29 o   63.805   7.0105   44.782   8.6170 -9.526009 14.02090 
1 1 1    6    7   30 o  308.250   7.3994  933.935   40.784 26.01437 14.79883 
1 1 1    6    8    1 o  341.702   6.1450  1173.40   41.994 1.329010 12.29006 
1 1 1    6    8    2 o  161.118   2.7612  260.675   8.8404 5.009048 5.522476 
1 1 1    6    8    3 o   92.213   4.0420   84.755   7.3891 3.474670 8.083975 
1 1 1    6    8    4 o  243.206   3.5119  592.637   16.926 -0.8038025 7.023884 
1 1 1    6    8    5 f  150.518   2.5455  226.629   7.6607 -2.832809 5.091098 
1 1 1    6    8    6 o  416.119   5.2399  1736.56   43.607 -2.267090 10.47975 
1 1 1    6    8    7 o  344.734   4.4000  1190.47   30.333 3.255859 8.799967 
1 1 1    6    8    8 o  186.712   4.6163  183.342   12.390 157.8498 9.232651 
1 1 1    6    8    9 o  329.983   4.8862  1091.10   32.245 2.217407 9.772491 
1 1 1    6    8   10 o  170.410   4.1738  291.091   14.214 -5.992920 8.347541 
1 1 1    6    8   11 o  182.120   2.8602  331.863   10.416 2.505234 5.720468 
1 1 1    6    8   12 o  506.572   6.3649  2576.50   64.485 -1.788574 12.72979 
1 1 1    6    8   13 o  387.788   5.7286  1502.22   44.285 -18.91608 11.45716 
1 1 1    6    8   14 o  180.321   3.9969  325.558   13.941 -0.4325256 7.993700 
1 1 1    6    8   15 o  112.712   6.4235  127.390   14.480      ?      ? 
1 1 1    6    8   16 o  343.368   5.1369  1183.82   35.266 -6.677979 10.27383 
1 1 1    6    8   17 o  250.096   4.3747  640.270   21.018 -20.27184 8.749402 
1 1 1    6    8   18 o  237.347   5.8777  578.209   23.497 -9.028061 11.75546 
1 1 1    6    8   19 o  242.890   3.8398  595.200   18.467 -9.231979 7.679587 
1 1 1    6    8   20 o   99.342   4.3727  101.367   8.4535 -10.72916 8.745420 
1 1 1    6    8   21 o   95.174   4.4616   72.400   7.3720 -41.26968 8.923162 
1 1 1    6    8   22 o   91.918   3.6108   85.057   6.5592 -0.4595947 7.221656 
1 1 1    6    8   23 o   71.032   4.6740   45.014   6.0415 -20.33803 9.348076 
1 1 1    6    8   24 o  105.413   3.7470  111.371   7.7684 26.76366 7.494011 
1 1 1    6    8   25 o   50.326   7.5076   30.426   5.7246 12.19420 15.01513 
1 1 1    6    8   26 o  137.436   3.4831  194.455   9.2159 10.34718 6.966295 
1 1 1    6    8   27 o  141.606   3.4393  213.090   9.3769 15.75841 6.878653 
1 1 1    6    8   28 o  162.322   3.9659  278.410   12.253 22.49828 7.931873 
1 1 1    6    9    0 o   48.768   9.7554   24.663   7.9946 0.000000 0.000000 
1 1 1    6    9    1 o  154.617   2.8295  239.429   8.6764 -0.9301300 5.658926 
1 1 1    6    9    2 o  262.606   3.7699  690.270   19.601 -0.7270813 7.539877 
1 1 1    6    9    3 o  241.222   3.5606  584.205   17.004 -4.972382 7.121125 
1 1 1    6    9    4 o  219.486   3.0680  481.927   13.464 -4.780197 6.135932 
1 1 1    6    9    5 o  175.430   4.1042  277.973   13.675 -63.79370 8.208450 
1 1 1    6    9    6 f  230.038   4.0561  532.250   18.451 7.154434 8.112207 
1 1 1    6    9    7 o  244.300   3.5920  596.930   17.364 1.705872 7.183942 
1 1 1    6    9    8 o  156.023   2.7507  243.619   8.5834 0.3508606 5.501377 
1 1 1    6    9    9 o  176.003   2.9198  309.635   10.271 -7.906891 5.839549 
1 1 1    6    9   10 o  315.092   4.1117  994.208   25.907 -4.329590 8.223385 
1 1 1    6    9   11 o  311.756   4.1153  973.358   25.657 -3.323425 8.230580 
1 1 1    6    9   12 o  325.510   8.5605  1064.31   55.731      ?      ? 
1 1 1    6    9   13 o  327.918   8.6380  1080.60   56.651      ?      ? 
1 1 1    6    9   14 o  211.710   3.2781  448.892   13.879 -3.147705 6.556208 
1 1 1    6    9   15 o  237.237   4.4350  567.787   20.881 -13.05463 8.870069 
1 1 1    6    9   16 o  276.627   4.5834  773.281   24.219 -5.980164 9.166761 
1 1 1    6    9   17 o  160.189   3.7854  258.043   12.091 -14.88524 7.570813 
1 1 1    6    9   18 o  129.442   3.4493  167.646   8.7902 -2.226212 6.898534 
1 1 1    6    9   19 o   82.422   5.3659   67.796   8.7535 6.118553 10.73180 
1 1 1    6    9   20 o  111.146   7.7862  124.830   17.308      ?      ? 
1 1 1    6    9   21 o   85.012   4.1717   71.808   6.7391 -4.269569 8.343339 
1 1 1    6    9   22 o   49.641   6.5161   28.461   5.8769 17.69762 13.03214 
1 1 1    6    9   23 f   78.005   5.4508   62.264   8.4726 -8.824631 10.90168 
1 1 1    6    9   24 o   79.377   4.9628   65.835   7.6471 -8.984612 9.925608 
1 1 1    6    9   25 o  130.348   4.7143  171.693   12.290      ?      ? 
1 1 1    6    9   26 o   70.646   9.2549   55.760   13.076      ?      ? 
1 1 1    6    9   27 f   97.213   4.6603   99.710   8.7574 12.02429 9.320629 
1 1 1    6    9   28 o   27.357   8.0228   49.821   9.0373 14.82797 16.04553 
1 1 1    6   10    0 o  247.534   4.8383  614.234   23.898 0.000000 0.000000 
1 1 1    6   10    1 o  384.781   5.2982  1489.03   40.602 14.63278 10.59646 
1 1 1    6   10    2 o  165.600   2.8395  274.394   9.4024 1.693436 5.678950 
1 1 1    6   10    3 o  185.505   3.4275  344.553   12.715 -1.106033 6.854983 
1 1 1    6   10    4 o  160.105   3.3972  256.733   10.874 -3.583099 6.794424 
1 1 1    6   10    5 o  267.661   3.8774  719.203   20.629 6.140411 7.754756 
1 1 1    6   10    6 o  158.563   4.1709  246.573   13.008 40.60257 8.341845 
1 1 1    6   10    7 o  308.859   4.4118  959.156   27.077 -10.96982 8.823662 
1 1 1    6   10    8 o   52.935   8.2212   29.637   8.2208 -3.275013 16.44243 
1 1 1    6   10    9 f   92.402   6.2480   96.946   10.140 40.40851 12.49609 
1 1 1    6   10   10 o  107.136   4.1407  112.167   8.7435 -15.70088 8.281375 
1 1 1    6   10   11 o  227.273   3.9490  511.791   17.821 -20.80736 7.897932 
1 1 1    6   10   12 o  171.278   3.9960  294.060   13.464 0.2214966 7.992075 
1 1 1    6   10   13 o  165.023   4.0526  258.280   12.876 32.06519 8.105199 
1 1 1    6   10   14 o   55.052   6.7940   31.248   7.2735 -7.317371 13.58802 
1 1 1    6   10   15 o  207.813   3.4874  433.489   14.396 1.043335 6.974850 
1 1 1    6   10   16 o  130.364   3.5915  170.936   9.3400 5.071617 7.182995 
1 1 1    6   10   17 o  112.956   3.8856  130.130   8.6496 15.18666 7.771114 
1 1 1    6   10   18 o   25.266   7.9813  -6.7873   8.8468 -5.403444 15.96264 
1 1 1    6   10   19 o   52.400   8.6225   28.550   10.686 39.05304 17.24490 
1 1 1    6   10   20 o   87.800   3.8765   75.095   6.6577 -14.10056 7.752920 
1 1 1    6   10   21 o   60.862   5.4221   38.425   6.4429 5.590675 10.84426 
1 1 1    6   10   22 o   64.455   6.7513   45.195   7.9633 -9.690815 13.50251 
1 1 1    6   10   23 o   71.071   7.2495   52.383   9.9483 -3.244766 14.49895 
1 1 1    6   10   24 f   70.888   8.4620   50.513   11.429 24.96231 16.92404 
1 1 1    6   10   25 o   65.004   9.2876   57.531   12.045 38.62490 18.57529 
1 1 1    6   10   26 o   53.012   7.6607   31.079   7.7829 2.711430 15.32147 
1 1 1    6   11    0 o   30.045   11.353   13.024   9.2828 0.000000 0.000000 
1 1 1    6   11    1 o  114.220   3.6713  131.094   8.2565 2.409416 7.342671 
1 1 1    6   11    2 o  149.608   3.4760  223.933   10.397 4.823471 6.951906 
1 1 1    6   11    3 o  230.938   4.2947  521.731   19.102 -19.29768 8.589301 
1 1 1    6   11    4 o  222.606   3.5681  495.445   15.754 -2.692017 7.136173 
1 1 1    6   11    5 o  227.521   3.6444  518.453   16.394 0.9944153E-01 7.288729 
1 1 1    6   11    6 o  179.005   3.9305  318.375   13.899 9.116699 7.860934 
1 1 1    6   11    7 o   76.076   10.927   58.332   16.626      ?      ? 
1 1 1    6   11    8 o  251.044   3.9105  627.404   19.254 -8.185364 7.821025 
1 1 1    6   11    9 o  174.588   3.7562  305.445   13.099 -0.9757538 7.512365 
1 1 1    6   11   10 o  236.962   3.7878  559.268   17.690 -8.462463 7.575661 
1 1 1    6   11   11 o  133.955   4.1858  180.803   11.142 -6.292984 8.371500 
1 1 1    6   11   12 o  112.016   6.0593  127.460   13.424 -6.424995 12.11868 
1 1 1    6   11   13 o  121.927   4.1756  150.027   10.070 -3.956001 8.351242 
1 1 1    6   11   14 o  142.261   3.9868  201.988   11.267 7.551743 7.973511 
1 1 1    6   11   15 o   50.581   7.3017   26.934   7.1396 3.768265 14.60342 
1 1 1    6   11   16 o  107.196   3.5646  115.389   7.6339 -2.117874 7.129195 
1 1 1    6   11   17 o   64.001   6.1238   41.930   7.5905 2.892895 12.24765 
1 1 1    6   11   18 f  100.425   3.6682  101.597   7.3342 -0.7620697 7.336404 
1 1 1    6   11   19 o  116.034   4.7395  141.092   10.285 51.05950 9.478965 
1 1 1    6   11   20 o  124.173   4.1023  153.225   10.092 21.05816 8.204630 
1 1 1    6   11   21 o   79.247   5.2047   65.165   8.1271 12.45286 10.40943 
1 1 1    6   11   22 o   81.043   4.9418   67.978   7.9442 11.97169 9.883522 
1 1 1    6   11   23 o  139.686   5.2011  194.365   14.307 -34.63637 10.40226 
1 1 1    6   11   24 o   38.711   8.9590   15.353   9.1563 -17.86117 17.91807 
1 1 1    6   11   25 o   51.733   8.5906   32.093   9.1711 -20.38288 17.18123 
1 1 1    6   11   26 f  102.375   6.3707  107.039   11.946 56.66484 12.74142 
1 1 1    6   12    0 o   18.524   9.5358 -43.3306   17.512 0.000000 0.000000 
1 1 1    6   12    1 o  222.068   3.6882  494.359   16.240 0.7409668 7.376361 
1 1 1    6   12    2 o  107.899   8.5929  117.096   18.543      ?      ? 
1 1 1    6   12    3 o  224.911   5.3102  493.293   19.082 -10.34630 10.62033 
1 1 1    6   12    4 o  197.126   4.4573  389.423   17.562 7.781372 8.914541 
1 1 1    6   12    5 o  217.649   4.7372  474.866   20.606 -9.712677 9.474374 
1 1 1    6   12    6 o  158.724   3.9875  252.440   12.646 9.788544 7.975087 
1 1 1    6   12    7 o  112.657   4.0418  124.041   8.9712 26.29042 8.083633 
1 1 1    6   12    8 o  170.370   3.2159  290.919   10.957 -1.252563 6.431871 
1 1 1    6   12    9 o  144.778   3.2572  210.215   9.4284 -2.686722 6.514472 
1 1 1    6   12   10 o   94.587   3.9142   89.821   7.4007 -0.6465149 7.828436 
1 1 1    6   12   11 o  146.947   3.1821  216.396   9.3489 -4.547791 6.364205 
1 1 1    6   12   12 o   69.935   5.7549   50.768   7.7829 9.059677 11.50978 
1 1 1    6   12   13 o  134.916   3.6035  184.004   9.6220 7.199677 7.206997 
1 1 1    6   12   14 o  133.880   3.5915  180.354   9.4878 0.9388428 7.182992 
1 1 1    6   12   15 o   86.867   4.4248   76.015   7.6836 3.870331 8.849632 
1 1 1    6   12   16 o   70.755   5.6872   51.086   7.8087 -0.5942688 11.37435 
1 1 1    6   12   17 o   62.065   6.4156   39.282   7.7605 1.762115 12.83119 
1 1 1    6   12   18 o   51.623   9.3219   29.291   9.7361 9.439690 18.64389 
1 1 1    6   12   19 o   54.552   7.9783   31.674   8.2510 5.889843 15.95656 
1 1 1    6   12   20 f   40.617   8.6596   20.311   9.2901 -22.48234 17.31925 
1 1 1    6   12   21 o   96.459   5.8248   94.329   11.134 5.936996 11.64968 
1 1 1    6   12   22 o   56.456   8.9095   36.540   9.7347 10.36462 17.81903 
1 1 1    6   12   23 o   37.856   9.6111   14.950   9.2777 5.031837 19.22225 
1 1 1    6   12   24 f   67.516   7.9259   51.268   10.217 5.532310 15.85184 
1 1 1    6   12   25 o   76.079   8.4970   60.735   12.182 -74.32561 16.99409 
1 1 1    6   13    0 o  128.315   4.8350  166.139   12.320 0.000000 0.000000 
1 1 1    6   13    1 o  200.924   4.3026  410.164   16.991 -14.76909 8.605167 
1 1 1    6   13    2 o   60.012   8.3624   46.501   8.8969 -32.67714 16.72470 
1 1 1    6   13    3 o  141.014   3.7326  199.493   10.525 -3.843689 7.465299 
1 1 1    6   13    4 o  308.345   4.4456  956.445   27.169 -2.040314 8.891140 
1 1 1    6   13    5 o  104.385   6.0546  116.405   11.469 53.54258 12.10918 
1 1 1    6   13    6 o  178.833   4.5881  306.625   15.995 52.47131 9.176296 
1 1 1    6   13    7 o  180.696   4.0364  315.187   14.108 26.52988 8.072844 
1 1 1    6   13    8 o  173.341   3.9473  298.440   13.410 -9.757370 7.894658 
1 1 1    6   13    9 o  113.032   3.4836  128.156   7.8693 3.482597 6.967151 
1 1 1    6   13   10 o   91.514   3.9683   84.232   7.2594 2.145615 7.936583 
1 1 1    6   13   11 o   43.325   7.8439   20.035   6.8306 2.909996 15.68773 
1 1 1    6   13   12 o   51.819   7.3336   31.108   7.2821 25.78256 14.66726 
1 1 1    6   13   13 o  116.864   4.0599  141.631   9.1262 -13.92192 8.119862 
1 1 1    6   13   14 o   81.878   4.8188   67.905   7.6925 -0.1449585E-01 9.637633 
1 1 1    6   13   15 o   74.179   5.5420   56.136   8.0510 -0.3187943 11.08396 
1 1 1    6   13   16 o  170.073   4.2123  298.783   13.448 -11.02406 8.424619 
1 1 1    6   13   17 o   82.829   8.6550   70.847   14.338      ?      ? 
1 1 1    6   13   18 o   37.477   9.4128   13.205   9.3855 11.30189 18.82561 
1 1 1    6   13   19 o   27.902   8.6631 -10.7389   10.577 -14.58656 17.32628 
1 1 1    6   13   20 o   46.131   10.860   21.041   12.952 -17.81936 21.72016 
1 1 1    6   13   21 o   51.094   11.156   30.635   13.220 16.97950 22.31272 
1 1 1    6   13   22 o   62.896   10.002   49.002   10.773 -12.96184 20.00369 
1 1 1    6   13   23 o   34.358   9.1799  -2.5652   11.777 -25.28759 18.35982 
1 1 1    6   14    0 o  105.236   5.3022  113.059   11.032 0.000000 0.000000 
1 1 1    6   14    1 o  226.982   3.3778  517.018   15.328 3.772736 6.755584 
1 1 1    6   14    2 o   75.647   5.8636   56.416   8.4645 -6.050278 11.72722 
1 1 1    6   14    3 o  141.289   4.0315  203.315   10.656 5.646072 8.063042 
1 1 1    6   14    4 o   92.678   4.0341   86.348   7.4773 -0.8046341 8.068254 
1 1 1    6   14    5 o  103.015   3.8050  106.725   7.8360 -3.474846 7.610097 
1 1 1    6   14    6 o  114.518   5.7680  132.056   13.211      ?      ? 
1 1 1    6   14    7 o  134.900   3.9325  183.726   10.563 -12.34366 7.864900 
1 1 1    6   14    8 f   45.661   8.3942   22.232   7.7758 5.277313 16.78834 
1 1 1    6   14    9 o   42.350   7.7571   19.265   6.7412 10.08638 15.51416 
1 1 1    6   14   10 o   81.407   4.3208   66.993   7.0275 -0.6100464 8.641644 
1 1 1    6   14   11 f   79.529   4.9167   63.461   7.7764 -9.401657 9.833474 
1 1 1    6   14   12 o   54.767   6.6083   31.116   7.0251 10.84912 13.21661 
1 1 1    6   14   13 o   40.471   8.7328   15.355   7.7230 16.38557 17.46558 
1 1 1    6   14   14 o   28.596   8.5137   2.3285   8.1947 0.4905071 17.02730 
1 1 1    6   14   15 o   51.611   9.3484   30.028   9.6357 -3.885612 18.69674 
1 1 1    6   14   16 o   30.698   8.8067   5.0100   8.6666 5.893076 17.61343 
1 1 1    6   14   17 o   19.897   6.8705 -22.8879   8.9695 1.091169 13.74105 
1 1 1    6   14   18 o   38.292   8.7882  -5.7653   11.136 -38.97314 17.57642 
1 1 1    6   14   19 o   89.191   5.9844   85.714   9.9650 -9.953529 11.96876 
1 1 1    6   14   20 o   40.888   9.9537   18.878   10.296 -10.07428 19.90732 
1 1 1    6   14   21 f   54.587   7.5135   51.168   11.868 -60.66473 15.02707 
1 1 1    6   14   22 o   35.644   10.260   22.062   11.484 0.8438072 20.52027 
1 1 1    6   15    0 o   26.254   11.327   3.6073   10.865 0.000000 0.000000 
1 1 1    6   15    1 o   25.651   7.7419   0.0608   7.0509 -3.343771 15.48377 
1 1 1    6   15    2 o   76.316   5.2520   59.280   7.9252 0.7290649 10.50396 
1 1 1    6   15    3 f   83.845   4.6870   71.800   7.7966 -9.048058 9.374009 
1 1 1    6   15    4 o   25.762   7.8678  -1.7594   7.2815 -8.259615 15.73562 
1 1 1    6   15    5 o  115.897   3.6256  135.289   8.3776 0.5457001 7.251295 
1 1 1    6   15    6 o   34.173   8.3481   11.233   6.9600 -1.595268 16.69622 
1 1 1    6   15    7 o   32.365   9.0209   7.1278   8.3439 -1.721140 18.04171 
1 1 1    6   15    8 o   85.875   5.3198   74.410   8.5075 -2.026611 10.63952 
1 1 1    6   15    9 o   59.968   6.1244   36.943   7.3442 -1.234528 12.24883 
1 1 1    6   15   10 o  108.907   5.3366  121.747   10.517 -2.027359 10.67310 
1 1 1    6   15   11 o   66.810   7.0346   45.639   8.9654 3.620667 14.06912 
1 1 1    6   15   12 o   38.272   9.3576   15.149   8.6295 -3.110092 18.71521 
1 1 1    6   15   13 o  111.342   4.1858  126.753   9.2960 -5.056953 8.371550 
1 1 1    6   15   15 o  230.934   6.0942  537.174   28.147      ?      ? 
1 1 1    6   15   16 o   46.139   9.4050   24.838   9.6255 17.40260 18.81001 
1 1 1    6   15   17 o  127.943   5.5140  153.283   12.473 26.45685 11.02796 
1 1 1    6   15   18 o   65.741   7.0575   46.500   9.2498 6.822342 14.11504 
1 1 1    6   15   19 o  115.158   7.1460  143.403   16.027 21.30631 14.29194 
1 1 1    6   16    0 o   90.461   7.5630   83.617   12.573 0.000000 0.000000 
1 1 1    6   16    1 o   39.608   8.2748   14.738   7.6600 -21.15359 16.54967 
1 1 1    6   16    2 o   62.599   7.0682   41.728   8.5240 9.654495 14.13633 
1 1 1    6   16    3 o   66.413   9.3213   48.049   10.498 3.767143 18.64252 
1 1 1    6   16    4 o   61.448   7.8600   40.297   8.5224 2.176701 15.71990 
1 1 1    6   16    5 o   65.963   5.9222   44.783   7.6722 -0.7099915E-01 11.84447 
1 1 1    6   16    6 o   28.514   8.1981   4.1501   7.3217 2.089312 16.39627 
1 1 1    6   16    7 o   33.013   8.5465   9.8067   7.4601 -4.373461 17.09310 
1 1 1    6   16    8 o   35.411   8.6109   12.727   7.3814 -0.4605865 17.22186 
1 1 1    6   16    9 o   70.267   5.4444   51.127   7.6393 4.066910 10.88875 
1 1 1    6   16   11 o  215.873   6.3714  421.904   25.473 -115.5811 12.74280 
1 1 1    6   16   12 o   48.747   11.879  -0.4244   13.672 48.74365 23.75825 
1 1 1    6   16   13 o   28.076   8.7769  -1.6553   9.6725 -0.5187454 17.55374 
1 1 1    6   16   14 f   38.820   9.6874   15.862   9.6300 -9.027714 19.37479 
1 1 1    6   16   15 o   58.475   9.9843   42.205   11.707 -15.88907 19.96852 
1 1 1    6   16   17 o   50.357   10.477   25.323   11.251 17.13136 20.95467 
1 1 1    6   17    0 o   66.527   12.599   46.935   13.774 0.000000 0.000000 
1 1 1    6   17    1 o   28.601   8.6765  -4.5414   10.049 -11.80648 17.35295 
1 1 1    6   17    2 o   47.964   9.1713   25.870   11.334 -32.29793 18.34254 
1 1 1    6   17    3 o   32.561   9.2880   5.5214   9.2993 3.793709 18.57607 
1 1 1    6   17    4 o   34.576   10.020   5.1293   11.032 -0.5295334 20.03962 
1 1 1    6   17    5 o  107.210   6.0335  118.454   12.363 7.302635 12.06698 
1 1 1    6   17    6 o   60.449   8.8362   39.419   10.299 5.857540 17.67248 
1 1 1    6   17    7 o   61.319   7.9784   43.763   9.3330 15.07534 15.95684 
1 1 1    6   17    8 o   33.024   8.6655   7.0679   9.0575 17.75446 17.33104 
1 1 1    6   17    9 o   65.981   7.2622   46.431   9.1446 -20.49168 14.52431 
1 1 1    6   17   10 o   51.077   9.1463   29.722   9.3276 -8.715206 18.29256 
1 1 1    6   17   11 o   36.476   9.4457   13.494   9.2719 7.250168 18.89145 
1 1 1    6   17   12 o   40.065   9.6597   19.251   9.5690 8.253014 19.31943 
1 1 1    6   17   13 o   29.202   9.6412 -14.9210   14.084 2.772787 19.28234 
1 1 1    6   17   14 o   49.851   13.465   14.882   12.072 -28.30177 26.92939 
1 1 1    6   18    0 o   30.556   12.689   13.851   12.767 0.000000 0.000000 
1 1 1    6   18    1 o   51.833   9.4375   31.357   9.8493 -2.457424 18.87498 
1 1 1    6   18    2 o   32.137   9.4116   4.9890   9.8837 -7.456013 18.82320 
1 1 1    6   18    3 f   48.909   9.3980   29.188   10.345 22.38525 18.79597 
1 1 1    6   18    4 o   53.417   9.3436   33.872   9.9117 4.966919 18.68716 
1 1 1    6   18    5 o   38.642   10.157   14.777   10.976 -10.05913 20.31440 
1 1 1    6   18    6 o   57.418   10.446   40.520   12.090 4.151573 20.89162 
1 1 1    6   18    8 o   21.372   7.3893 -25.3992   10.446 -0.9128304 14.77866 
1 1 1    6   18    9 o   47.368   12.427   20.131   15.079 2.180485 24.85377 
1 1 1    6   18   10 o   33.789   10.641   22.875   14.001 -3.979609 21.28195 
1 1 1    7    0    1 o  298.439   6.4846  897.437   36.602 0.000000 0.000000 
1 1 1    7    0    2 o  247.232   4.4346  612.625   21.893 0.000000 0.000000 
1 1 1    7    0    3 o  640.555   13.815  4132.45  166.252 0.000000 0.000000 
1 1 1    7    0    4 o  303.968   6.6252  923.131   37.634 0.000000 0.000000 
1 1 1    7    0    5 o  599.346   12.115  3653.01  127.378 0.000000 0.000000 
1 1 1    7    0    6 o   90.386   3.0668   81.992   5.5298 0.000000 0.000000 
1 1 1    7    0    7 o   57.910   4.2313   31.628   4.3029 0.000000 0.000000 
1 1 1    7    0    8 o  167.082   3.2304  279.792   10.773 0.000000 0.000000 
1 1 1    7    0    9 o  201.482   3.7482  406.926   15.070 0.000000 0.000000 
1 1 1    7    0   10 o  144.605   3.0156  209.798   8.7043 0.000000 0.000000 
1 1 1    7    0   11 o  120.834   2.8790  146.617   6.9390 0.000000 0.000000 
1 1 1    7    0   12 f   27.817   7.9956   11.527   4.9479 0.000000 0.000000 
1 1 1    7    0   13 o  309.225   5.5634  957.017   34.256 0.000000 0.000000 
1 1 1    7    0   14 o  126.299   4.3892  160.396   9.7102 0.000000 0.000000 
1 1 1    7    0   15 o  163.637   3.5385  268.711   11.555 0.000000 0.000000 
1 1 1    7    0   16 o  410.869   7.3221  1690.82   59.955 0.000000 0.000000 
1 1 1    7    0   17 o  106.051   4.4314  114.557   9.2501 0.000000 0.000000 
1 1 1    7    0   18 o  439.496   7.8210  1939.69   68.611 0.000000 0.000000 
1 1 1    7    0   21 o  579.632   10.324  3395.70  119.467 0.000000 0.000000 
1 1 1    7    0   22 f  150.146   4.2854  226.444   12.807 0.000000 0.000000 
1 1 1    7    0   23 o  277.127   6.7393  746.762   33.226 0.000000 0.000000 
1 1 1    7    0   24 o  128.610   7.0672  172.314   17.425 0.000000 0.000000 
1 1 1    7    0   25 o   86.751   11.105   80.565   17.164 0.000000 0.000000 
1 1 1    7    0   26 o  170.761   4.3587  294.398   14.843 0.000000 0.000000 
1 1 1    7    0   27 o  180.127   4.3215  327.688   15.526 0.000000 0.000000 
1 1 1    7    0   28 o   57.257   9.8559   39.235   9.7707 0.000000 0.000000 
1 1 1    7    0   29 o  180.544   5.8755  333.434   19.569 0.000000 0.000000 
1 1 1    7    0   31 o   92.805   6.9104   86.922   12.146 0.000000 0.000000 
1 1 1    7    0   32 f   96.487   8.0599   97.631   14.601 0.000000 0.000000 
1 1 1    7    1    0 o  223.467   5.7356  500.978   25.526 0.000000 0.000000 
1 1 1    7    1    1 o  399.290   6.0782  1593.93   45.602 2.373627 12.15640 
1 1 1    7    1    2 o  178.824   2.8017  318.112   8.9543 2.206375 5.603498 
1 1 1    7    1    3 o  473.724   7.1709  2261.38   64.528 -7.856598 14.34179 
1 1 1    7    1    4 o  265.249   4.0796  705.147   20.473 -1.131287 8.159190 
1 1 1    7    1    5 o  219.586   2.8158  482.424   12.366 0.5149689 5.631604 
1 1 1    7    1    6 o   74.821   1.8777   56.018   2.8075 3.857155 3.755474 
1 1 1    7    1    7 o  234.167   3.2506  547.734   15.016 -2.836761 6.501174 
1 1 1    7    1    8 o  254.256   3.8334  645.755   17.588 1.549957 7.666860 
1 1 1    7    1    9 o  148.313   2.1952  219.913   6.3232 0.6093903 4.390357 
1 1 1    7    1   10 o  110.330   1.9997  121.240   4.2897 2.162338 3.999360 
1 1 1    7    1   11 o  107.729   2.0290  116.328   4.2848 -0.9199371 4.057909 
1 1 1    7    1   12 o   28.071   5.4567   8.2863   3.1197 -2.526915 10.91346 
1 1 1    7    1   13 o  342.536   5.0939  1186.18   31.916 -6.413818 10.18775 
1 1 1    7    1   14 o  296.773   4.6151  886.240   26.004 -3.678741 9.230217 
1 1 1    7    1   15 o  512.818   7.7851  2669.77   76.411 -17.85861 15.57011 
1 1 1    7    1   16 o  283.745   3.9404  806.737   22.158 -1.416901 7.880753 
1 1 1    7    1   17 o  134.459   2.7350  176.494   7.2368 17.93383 5.469969 
1 1 1    7    1   18 o  117.204   3.4780  133.040   8.0146 27.12165 6.955966 
1 1 1    7    1   19 o  277.833   4.5032  786.954   24.351 -23.82480 9.006407 
1 1 1    7    1   20 o  275.335   7.2259  760.727   39.791      ?      ? 
1 1 1    7    1   21 o  216.447   3.6465  468.944   15.770 -6.279327 7.292909 
1 1 1    7    1   22 o  254.317   3.7739  647.473   19.001 3.518387 7.547731 
1 1 1    7    1   23 f  112.159   3.8197  128.025   8.4500 15.86840 7.639360 
1 1 1    7    1   24 o  148.991   5.9483  223.340   17.725      ?      ? 
1 1 1    7    1   25 o  123.227   4.7395  153.582   11.348 2.126099 9.479047 
1 1 1    7    1   26 o  117.303   3.6557  136.120   8.3756 9.505196 7.311483 
1 1 1    7    1   27 o   68.212   5.7544   37.445   6.8913 33.00629 11.50878 
1 1 1    7    1   28 o   96.888   4.5477  101.173   7.5698 -12.78086 9.095346 
1 1 1    7    1   29 o  110.863   4.9336  123.081   10.277 -9.632828 9.867129 
1 1 1    7    1   30 o   22.367   7.3604 -10.7883   8.2009 7.317799 14.72083 
1 1 1    7    1   31 o   67.952   6.0800   35.346   6.7219 33.21270 12.15991 
1 1 1    7    1   32 o   13.106   6.6717 -33.8859   9.1704      ?      ? 
1 1 1    7    2    0 o  325.554   7.1327  1049.63   42.812 0.000000 0.000000 
1 1 1    7    2    1 o  471.064   6.3133  2220.92   58.734 3.792816 12.62660 
1 1 1    7    2    2 o  450.768   6.8445  2040.69   58.310 -2.718140 13.68897 
1 1 1    7    2    3 o  130.556   2.3694  169.227   5.8110 2.805603 4.738749 
1 1 1    7    2    4 o  230.452   2.9469  531.226   13.580 -3.160248 5.893839 
1 1 1    7    2    5 o  124.882   1.9291  155.947   4.8164 1.425735 3.858247 
1 1 1    7    2    6 o  422.034   5.6680  1786.87   47.373 -1.683167 11.33595 
1 1 1    7    2    7 o  244.034   3.3783  595.284   16.250 2.283768 6.756522 
1 1 1    7    2    8 o  181.474   2.5423  329.509   8.8541 0.2623291 5.084647 
1 1 1    7    2    9 o  119.781   2.1090  140.430   4.6435 6.502304 4.217993 
1 1 1    7    2   10 o   77.555   2.2979   60.941   3.1254 -2.018166 4.595886 
1 1 1    7    2   11 o   80.178   2.7392   64.989   4.3485 -7.950943 5.478447 
1 1 1    7    2   12 o  156.743   3.1428  247.637   9.7591 -8.103226 6.285522 
1 1 1    7    2   13 o  101.460   2.7100  100.958   5.3240 -7.828850 5.419957 
1 1 1    7    2   14 o  169.578   3.3705  290.957   11.276 -12.94641 6.740963 
1 1 1    7    2   15 o  598.026   8.0513  3605.32   95.572 -9.958801 16.10267 
1 1 1    7    2   16 o   97.924   2.8415   95.892   5.5627 -3.801414 5.683027 
1 1 1    7    2   17 o  323.489   5.0006  1062.02   31.306 -16.99033 10.00118 
1 1 1    7    2   18 o  420.573   5.7139  1778.50   47.783 -9.847473 11.42783 
1 1 1    7    2   19 o  195.989   2.9880  388.517   11.584 -18.79602 5.976027 
1 1 1    7    2   20 o  337.538   4.4587  1153.24   29.745 -25.64734 8.917305 
1 1 1    7    2   21 o  276.122   5.1782  765.586   28.586 -2.335175 10.35641 
1 1 1    7    2   22 o  355.854   4.7098  1279.47   32.791 -9.581390 9.419503 
1 1 1    7    2   23 o  145.042   3.9341  201.117   10.783 20.33577 7.868191 
1 1 1    7    2   24 o   55.888   5.1729   31.814   5.7244 -6.714645 10.34576 
1 1 1    7    2   25 o  150.986   3.1739  228.810   9.5825 -0.9113922 6.347790 
1 1 1    7    2   26 o   79.203   3.9224   61.866   6.1380 16.05877 7.844852 
1 1 1    7    2   27 o   99.000   3.3946  101.093   6.5430 -12.98940 6.789135 
1 1 1    7    2   28 o   96.259   3.9876   94.655   7.6182 9.370735 7.975286 
1 1 1    7    2   29 o   73.224   5.5172   53.291   7.6073 35.12752 11.03447 
1 1 1    7    2   30 o   89.238   6.5693   86.052   11.309 17.17261 13.13861 
1 1 1    7    2   31 o   32.660   9.2869   8.4886   9.0186 -3.622784 18.57380 
1 1 1    7    3    0 o  110.582   2.6733  122.746   5.8967 0.000000 0.000000 
1 1 1    7    3    1 o  573.593   7.6821  3295.78   86.947 6.907471 15.36422 
1 1 1    7    3    2 o  165.196   2.4709  272.342   8.0524 2.399796 4.941766 
1 1 1    7    3    3 o  475.245   5.8929  2264.26   56.010 1.806610 11.78581 
1 1 1    7    3    4 o  196.214   2.8050  384.647   10.858 1.800552 5.610051 
1 1 1    7    3    5 o  464.834   5.7738  2165.88   53.653 8.563934 11.54757 
1 1 1    7    3    6 o  116.803   1.9408  136.295   4.5293 3.563271 3.881555 
1 1 1    7    3    7 o  245.966   3.1465  605.811   15.476 2.757919 6.293010 
1 1 1    7    3    8 o  122.823   2.1026  151.282   5.1510 4.433060 4.205118 
1 1 1    7    3    9 o  182.098   2.4742  331.915   9.0092 1.617752 4.948306 
1 1 1    7    3   10 o  182.739   2.7086  332.931   9.6607 3.426224 5.417299 
1 1 1    7    3   11 o  137.145   3.2968  188.278   9.0352 -7.901764 6.593576 
1 1 1    7    3   12 o  142.799   3.0363  204.161   8.5458 -0.2177734 6.072518 
1 1 1    7    3   13 o  391.402   6.3456  1545.71   49.034 10.65756 12.69119 
1 1 1    7    3   14 o  437.074   7.0957  1918.32   60.716 1.265656 14.19145 
1 1 1    7    3   15 o  595.137   12.389  3477.41  121.887 29.10602 24.77878 
1 1 1    7    3   16 o  184.661   4.5435  341.337   16.780      ?      ? 
1 1 1    7    3   17 o  393.532   6.1191  1547.11   45.097 4.800812 12.23820 
1 1 1    7    3   18 o  425.069   10.761  1816.85   91.487      ?      ? 
1 1 1    7    3   19 o  190.065   6.1359  362.136   23.325      ?      ? 
1 1 1    7    3   20 o  277.726   4.5928  784.372   24.461 -14.12381 9.185505 
1 1 1    7    3   21 o  231.322   4.3809  540.764   20.089 -16.22090 8.761901 
1 1 1    7    3   22 o  222.115   4.2982  496.413   18.725 -1.764542 8.596332 
1 1 1    7    3   23 o  126.929   3.2302  151.659   7.1143 -15.32872 6.460496 
1 1 1    7    3   24 o  102.080   3.6257  108.117   7.1400 27.58803 7.251305 
1 1 1    7    3   25 o   61.096   6.3897   46.785   6.4497 45.55068 12.77934 
1 1 1    7    3   26 o   83.024   6.1934   86.323   7.8618 56.10246 12.38672 
1 1 1    7    3   27 o  165.290   2.9252  272.800   9.5059 -6.752670 5.850422 
1 1 1    7    3   28 o   39.308   9.4287   14.120   6.1193 -6.799801 18.85741 
1 1 1    7    3   29 o   97.580   7.3664  122.605   9.9648 98.62381 14.73286 
1 1 1    7    3   30 f   37.498   6.9480   16.696   5.5334 14.30690 13.89597 
1 1 1    7    3   31 o   45.827   6.7267   24.854   5.6999 13.90129 13.45333 
1 1 1    7    3   32 o   49.851   11.122   27.087   10.803      ?      ? 
1 1 1    7    4    0 o   58.298   5.6565   35.430   6.3771 0.000000 0.000000 
1 1 1    7    4    1 o  202.688   2.8913  409.509   11.540 -4.409988 5.782691 
1 1 1    7    4    2 o  321.214   4.0291  1033.25   25.883 1.290436 8.058184 
1 1 1    7    4    3 o  228.568   3.2117  521.828   14.470 2.839844 6.423493 
1 1 1    7    4    4 o  367.272   4.9573  1354.17   36.088 -2.982025 9.914546 
1 1 1    7    4    5 o  174.022   2.5998  304.304   8.9865 6.341309 5.199619 
1 1 1    7    4    6 o   95.884   1.9912   91.998   3.8184 -0.2125092 3.982401 
1 1 1    7    4    7 o  221.437   2.8876  490.877   12.786 2.559891 5.775208 
1 1 1    7    4    8 o  254.842   3.2689  649.883   16.644 7.261093 6.537771 
1 1 1    7    4    9 o  206.367   2.7530  426.025   11.355 4.582153 5.506073 
1 1 1    7    4   10 f  166.353   2.7055  276.636   8.9900 5.010391 5.410985 
1 1 1    7    4   11 o  250.325   4.6427  551.876   21.186 73.98076 9.285459 
1 1 1    7    4   12 o  233.319   3.0754  544.221   14.334 6.449020 6.150815 
1 1 1    7    4   13 o  347.816   6.2635  1214.73   43.567 0.2843628 12.52695 
1 1 1    7    4   14 o  106.161   5.9279  112.889   12.586      ?      ? 
1 1 1    7    4   15 o  485.934   7.0340  2370.39   68.322 9.579132 14.06797 
1 1 1    7    4   16 o  113.260   5.5402  128.479   12.550      ?      ? 
1 1 1    7    4   17 o  188.414   4.2419  353.736   15.925 11.01091 8.483790 
1 1 1    7    4   19 o  250.109   4.3374  636.692   20.783 -14.18367 8.674813 
1 1 1    7    4   20 o  361.371   7.4585  1287.09   41.973 11.56671 14.91703 
1 1 1    7    4   21 o  286.696   6.1750  848.266   31.931 -17.05029 12.34994 
1 1 1    7    4   22 o  130.603   5.2153  171.198   13.623      ?      ? 
1 1 1    7    4   23 o   99.175   4.5524   98.797   8.6946 0.8297043 9.104809 
1 1 1    7    4   24 o   99.074   5.5818   98.549   10.792 29.93759 11.16351 
1 1 1    7    4   25 o  109.105   4.6097  113.896   9.7597 26.23641 9.219419 
1 1 1    7    4   26 o  127.518   5.5974  165.573   10.914 -0.9928589 11.19486 
1 1 1    7    4   27 o   67.860   10.405   52.474   9.4265 -8.373184 20.80941 
1 1 1    7    4   28 o   51.939   5.7511   33.012   4.2909 15.54189 11.50229 
1 1 1    7    4   30 o   41.159   6.4360   20.536   4.7167 12.53504 12.87190 
1 1 1    7    4   31 o  116.758   4.2892  184.288   9.7086 13.87663 8.578448 
1 1 1    7    5    0 o  305.697   5.4755  938.107   33.418 0.000000 0.000000 
1 1 1    7    5    1 o  133.622   2.8903  178.777   7.7235 -0.5336151 5.780639 
1 1 1    7    5    2 o  184.727   3.5142  341.833   12.980 -2.428116 7.028341 
1 1 1    7    5    3 o  130.790   2.3093  170.632   5.9458 -2.421249 4.618507 
1 1 1    7    5    4 o   75.770   2.5643   57.054   3.8225 -2.920319 5.128639 
1 1 1    7    5    5 o  395.412   4.9435  1569.78   39.093 1.815430 9.886989 
1 1 1    7    5    6 o  125.775   2.3458  158.368   5.8106 -0.6638336E-01 4.691599 
1 1 1    7    5    7 o  278.586   3.5608  777.642   19.837 2.795929 7.121691 
1 1 1    7    5    8 o  219.231   3.1349  480.378   13.576 -2.816422 6.269721 
1 1 1    7    5    9 o  272.174   4.2904  737.122   21.806 -5.922943 8.580833 
1 1 1    7    5   10 o  209.680   2.8356  440.172   11.891 0.4345551 5.671293 
1 1 1    7    5   11 o  254.716   3.6136  648.046   18.121 3.872070 7.227129 
1 1 1    7    5   12 o  356.139   4.5050  1270.96   32.087 1.056122 9.009977 
1 1 1    7    5   13 o  434.521   5.4374  1893.16   47.249 2.992401 10.87485 
1 1 1    7    5   14 o  221.167   4.3993  490.106   19.447 -1.245483 8.798616 
1 1 1    7    5   15 o  424.333   6.5432  1800.31   52.085 4.817444 13.08644 
1 1 1    7    5   16 o  295.767   5.5384  876.072   32.729 9.763733 11.07686 
1 1 1    7    5   20 o  207.050   4.6417  430.449   19.219 -3.275009 9.283342 
1 1 1    7    5   21 o  245.943   4.5374  610.724   21.916 -5.746353 9.074755 
1 1 1    7    5   22 o   83.191   7.0232   69.775   11.685      ?      ? 
1 1 1    7    5   23 o  199.154   3.9617  403.342   14.980 -7.437164 7.923378 
1 1 1    7    5   24 o  202.782   5.5911  341.497   15.125 48.93712 11.18226 
1 1 1    7    5   25 f  240.936   5.7561  586.210   21.461 0.9820709 11.51211 
1 1 1    7    5   26 o   55.361   7.7271   31.740   7.9762 7.459652 15.45421 
1 1 1    7    5   27 o  105.231   4.6603  112.657   9.6724 1.445946 9.320621 
1 1 1    7    5   29 o  137.441   4.3116  198.302   10.803 -4.776855 8.623288 
1 1 1    7    5   30 o  108.432   4.4602  120.908   9.5493 1.581642 8.920350 
1 1 1    7    5   31 o  282.941   8.1431  813.207   46.080      ?      ? 
1 1 1    7    6    0 o  124.419   3.6515  157.204   8.7441 0.000000 0.000000 
1 1 1    7    6    1 o  141.902   2.2306  201.486   6.3293 2.202774 4.461187 
1 1 1    7    6    2 o  219.525   3.1585  479.632   13.609 7.258377 6.317041 
1 1 1    7    6    3 o  145.012   2.2982  210.304   6.6617 3.955750 4.596323 
1 1 1    7    6    4 o  218.154   3.1430  478.342   13.650 9.200562 6.286038 
1 1 1    7    6    5 o  203.749   2.7649  415.526   11.265 2.706192 5.529817 
1 1 1    7    6    6 f  163.145   2.9821  265.884   9.1312 -1.099442 5.964205 
1 1 1    7    6    7 o  230.715   3.3161  533.983   15.150 1.995026 6.632219 
1 1 1    7    6    8 o  154.907   3.0875  240.876   9.4166 -2.105072 6.175058 
1 1 1    7    6    9 o  165.294   4.1801  281.471   10.804 -7.699356 8.360238 
1 1 1    7    6   10 o  274.857   4.4042  756.656   22.717 0.3520508 8.808335 
1 1 1    7    6   11 o  171.850   3.1393  283.812   9.9502 17.15665 6.278679 
1 1 1    7    6   12 o  174.311   3.4485  287.720   11.171 -24.56412 6.897088 
1 1 1    7    6   13 o  219.208   3.3066  479.446   14.329 -4.561218 6.613279 
1 1 1    7    6   14 o  367.545   5.7208  1344.40   39.264 -7.819214 11.44165 
1 1 1    7    6   15 o  293.281   4.9400  862.308   28.424 0.3529053 9.880034 
1 1 1    7    6   16 o  226.227   4.4266  513.011   20.023 4.517136 8.853245 
1 1 1    7    6   17 o  587.386   12.093  3483.48  142.065      ?      ? 
1 1 1    7    6   18 o  172.475   2.8515  297.017   9.8221 -10.70035 5.703097 
1 1 1    7    6   19 o  105.073   3.7706   83.233   6.1203 -42.27452 7.541142 
1 1 1    7    6   20 o  168.314   6.0369  284.623   20.322      ?      ? 
1 1 1    7    6   21 o  137.139   3.7099  188.848   10.153 -0.1325684 7.419878 
1 1 1    7    6   22 o  168.451   4.5430  287.139   15.222 -16.87999 9.085976 
1 1 1    7    6   23 o  130.071   4.7982  170.574   12.481 0.1063232 9.596468 
1 1 1    7    6   24 o  109.048   4.3546  125.134   8.9155 -15.29863 8.709293 
1 1 1    7    6   25 o   86.650   5.2891   81.499   8.4693 -19.02087 10.57810 
1 1 1    7    6   26 o   81.872   6.2019   69.234   10.149 1.276436 12.40382 
1 1 1    7    6   27 o  151.814   3.9870  235.374   11.281 -1.353088 7.973926 
1 1 1    7    6   28 o   48.515   11.130   25.152   10.576      ?      ? 
1 1 1    7    6   29 o   50.751   8.9380   29.882   8.4024 -3.383312 17.87592 
1 1 1    7    6   30 o   24.909   8.0011   17.283   8.5997 -1.579607 16.00215 
1 1 1    7    7    0 o  146.749   4.6616  216.989   13.619 0.000000 0.000000 
1 1 1    7    7    1 o  104.575   3.2024  109.569   6.6966 -1.785149 6.404825 
1 1 1    7    7    2 o   36.902   5.9633   14.308   4.3185 5.535591 11.92670 
1 1 1    7    7    3 o  112.226   4.3610  126.108   9.2625 -0.6308289 8.721991 
1 1 1    7    7    4 o  310.735   4.2959  968.044   26.396 -1.520477 8.591721 
1 1 1    7    7    5 o  267.901   4.9123  720.019   26.309 5.409912 9.824656 
1 1 1    7    7    6 f  359.797   5.2512  1299.07   37.787 -0.6907654 10.50241 
1 1 1    7    7    7 f  102.241   4.4791  106.900   8.3310 -56.50423 8.958155 
1 1 1    7    7    8 o  400.184   6.1495  1618.83   46.977 9.446320 12.29903 
1 1 1    7    7    9 o  198.666   4.6461  396.328   15.915 1.026749 9.292155 
1 1 1    7    7   10 f  551.380   8.4460  3059.25   87.720 0.6254272 16.89193 
1 1 1    7    7   11 o  155.620   3.8785  217.518   11.234 43.54092 7.757094 
1 1 1    7    7   12 o  196.628   4.0200  385.716   15.777 12.90199 8.040088 
1 1 1    7    7   13 o  207.267   3.8341  439.855   15.041 -15.35478 7.668231 
1 1 1    7    7   14 o  404.284   5.1272  1637.77   41.442 6.541565 10.25433 
1 1 1    7    7   15 o   86.867   4.1237   75.888   7.0121 1.619385 8.247364 
1 1 1    7    7   16 o  272.120   5.1538  740.106   27.952 -12.50098 10.30759 
1 1 1    7    7   17 o  232.640   4.2291  516.709   18.602 32.91034 8.458123 
1 1 1    7    7   18 o  118.608   4.4726  147.943   10.042 40.59180 8.945230 
1 1 1    7    7   19 o  177.164   2.9661  314.564   10.509 -0.5956573 5.932171 
1 1 1    7    7   20 o  101.692   5.1082  109.465   8.4186 -9.458450 10.21645 
1 1 1    7    7   21 f  183.703   3.3046  338.728   12.003 0.3115082 6.609290 
1 1 1    7    7   22 o  183.991   3.7700  341.440   12.901 2.192917 7.540017 
1 1 1    7    7   23 o   69.162   5.8094   48.576   8.0162 6.040062 11.61881 
1 1 1    7    7   24 o  150.391   3.6696  228.265   11.014 0.9421997 7.339235 
1 1 1    7    7   25 o   76.581   5.6219   60.348   8.4548 -18.97819 11.24383 
1 1 1    7    7   26 o   99.932   5.8616   92.900   10.471 21.34532 11.72319 
1 1 1    7    7   27 o   81.094   6.6152   66.294   10.729      ?      ? 
1 1 1    7    7   28 o   75.197   6.1617   59.019   9.0441 -0.2737350 12.32338 
1 1 1    7    7   29 o   56.086   8.0060   37.577   8.8149 -29.60575 16.01204 
1 1 1    7    8    1 o  396.699   5.3917  1582.54   42.493 -7.645081 10.78340 
1 1 1    7    8    2 o  127.622   2.9140  163.182   7.4286 7.371017 5.828060 
1 1 1    7    8    3 o  199.502   3.4826  394.564   13.038 5.677002 6.965238 
1 1 1    7    8    4 o  288.681   4.0355  836.109   23.120 -3.325104 8.071064 
1 1 1    7    8    5 o  123.263   2.7102  151.628   6.6390 2.937317 5.420436 
1 1 1    7    8    6 f  253.173   3.6318  641.458   18.208 0.8747864 7.263622 
1 1 1    7    8    7 o  298.660   4.1710  894.382   24.723 -2.610687 8.342055 
1 1 1    7    8    8 o  253.042   3.6431  642.060   18.309 -3.511337 7.286258 
1 1 1    7    8    9 o  371.138   5.0817  1380.81   37.342 -0.3275452 10.16340 
1 1 1    7    8   10 o  249.610   3.6506  623.886   18.061 -0.6330872E-01 7.301164 
1 1 1    7    8   11 o  191.505   3.3606  366.082   12.849 9.484756 6.721201 
1 1 1    7    8   12 o  294.729   5.0355  830.592   27.799 37.21332 10.07090 
1 1 1    7    8   14 o  133.690   4.1118  167.992   10.384 -24.34291 8.223559 
1 1 1    7    8   15 o  236.207   3.6499  559.153   17.092 0.4666748 7.299859 
1 1 1    7    8   16 o  140.801   3.1573  198.328   8.8842 -4.594406 6.314574 
1 1 1    7    8   17 o  146.699   4.3243  221.539   11.187 -8.386215 8.648659 
1 1 1    7    8   18 o  180.678   3.5041  330.894   12.433 -11.04503 7.008301 
1 1 1    7    8   19 o  228.540   3.6780  526.499   16.621 -6.289261 7.355973 
1 1 1    7    8   20 o  252.223   3.5378  636.728   17.808 -11.77496 7.075694 
1 1 1    7    8   21 o  346.344   4.8465  1209.50   33.507 -28.21866 9.692925 
1 1 1    7    8   22 o  119.579   3.2961  140.798   7.7958 19.31100 6.592218 
1 1 1    7    8   23 o  131.921   2.8640  174.999   7.5518 -1.197678 5.728002 
1 1 1    7    8   24 o   70.217   5.6180   52.298   6.1865 5.100761 11.23607 
1 1 1    7    8   25 o   59.767   6.2329   32.426   4.6474 -8.812344 12.46571 
1 1 1    7    8   26 o  162.115   7.3872  266.161   23.952      ?      ? 
1 1 1    7    8   27 o   45.184   8.9550   23.561   8.5222 -8.709629 17.91008 
1 1 1    7    8   28 o   94.278   8.5083   94.020   16.043      ?      ? 
1 1 1    7    8   29 o   73.019   13.980   57.592   19.687      ?      ? 
1 1 1    7    9    0 o   67.005   9.1329   49.492   10.848 0.000000 0.000000 
1 1 1    7    9    1 o  331.779   4.5887  1101.69   30.095 -2.390991 9.177320 
1 1 1    7    9    2 o  334.295   4.2937  1119.08   28.700 4.544250 8.587456 
1 1 1    7    9    3 o  350.118   4.8408  1227.52   33.474 1.522766 9.681553 
1 1 1    7    9    4 o  131.932   3.8200  181.253   9.6432 -23.51576 7.639923 
1 1 1    7    9    5 o  225.354   3.1336  508.282   14.123 0.8336029 6.267123 
1 1 1    7    9    6 f  130.088   2.9728  167.859   7.6696 -8.490051 5.945604 
1 1 1    7    9    7 o  329.168   4.2462  1085.47   27.954 -0.7314758 8.492382 
1 1 1    7    9    8 o   81.483   3.6956   66.594   6.0034 -7.909538 7.391249 
1 1 1    7    9    9 o  351.326   4.5131  1236.72   31.710 -2.442291 9.026266 
1 1 1    7    9   10 o  288.345   4.4628  832.936   25.735 -1.745911 8.925555 
1 1 1    7    9   11 o  315.504   4.8006  997.883   30.292 1.799347 9.601241 
1 1 1    7    9   12 o  151.831   4.3848  222.225   13.055 -36.26903 8.769601 
1 1 1    7    9   13 f  159.811   4.4650  255.752   14.271      ?      ? 
1 1 1    7    9   14 o  132.607   4.7143  191.346   10.965 -25.95538 9.428572 
1 1 1    7    9   15 o  191.454   3.4559  369.099   13.129 -8.690857 6.911769 
1 1 1    7    9   16 o  248.213   3.7496  619.353   18.504 -4.692993 7.499147 
1 1 1    7    9   17 o   81.768   4.5803   65.592   7.3402 -9.550400 9.160624 
1 1 1    7    9   18 o  137.265   3.3514  184.462   8.9431 -13.77559 6.702878 
1 1 1    7    9   19 o  122.741   3.8936  151.880   8.7846 0.9758606 7.787177 
1 1 1    7    9   20 o  105.342   4.6131  108.409   8.4925 -6.279091 9.226198 
1 1 1    7    9   21 o  139.514   3.7746  196.635   10.511 -6.249435 7.549248 
1 1 1    7    9   22 o   56.422   6.7892   32.683   7.4321 7.269157 13.57845 
1 1 1    7    9   23 o   74.593   5.4318   59.483   7.6641 -13.10583 10.86351 
1 1 1    7    9   24 o   79.016   4.4909   64.812   6.7976 5.679939 8.981857 
1 1 1    7    9   25 o  106.786   4.2542  115.076   9.0454 13.08580 8.508325 
1 1 1    7    9   26 o  103.787   5.0046  116.161   9.1167 10.09788 10.00926 
1 1 1    7    9   27 o  102.602   4.2550  104.992   8.3045 -8.926437 8.510072 
1 1 1    7    9   28 o   36.002   9.6862   5.9319   7.7252 -21.35523 19.37236 
1 1 1    7   10    0 f  309.663   5.7387  961.510   35.458 0.000000 0.000000 
1 1 1    7   10    1 o  158.150   3.7840  248.295   11.583 -5.294571 7.568053 
1 1 1    7   10    2 o  270.028   3.6189  730.101   19.544 -1.262085 7.237838 
1 1 1    7   10    3 o  249.047   3.4311  620.596   17.082 4.635178 6.862266 
1 1 1    7   10    4 o  345.726   4.8124  1199.23   32.973 2.683655 9.624756 
1 1 1    7   10    5 o   86.540   6.4384   90.556   8.8743 -48.47613 12.87678 
1 1 1    7   10    6 o  233.507   3.3263  545.825   15.534 -0.8138275 6.652532 
1 1 1    7   10    7 o   71.091   5.7431   45.679   7.7351 23.68988 11.48621 
1 1 1    7   10    8 o   92.162   5.0850   87.097   8.9913 -8.191193 10.16992 
1 1 1    7   10    9 o  117.266   6.2102  148.167   12.132 85.80283 12.42045 
1 1 1    7   10   10 o  360.830   6.9516  833.224   36.014 204.7019 13.90316 
1 1 1    7   10   11 o  107.588   6.6201  116.140   14.245      ?      ? 
1 1 1    7   10   12 o  236.779   4.4854  563.707   20.789 -2.465408 8.970716 
1 1 1    7   10   13 o  133.490   4.8034  185.033   12.296 41.40730 9.606874 
1 1 1    7   10   14 o   79.839   4.4660   63.287   7.0807 -12.95114 8.932013 
1 1 1    7   10   15 o  105.750   4.1659  112.550   8.7672 13.27381 8.331731 
1 1 1    7   10   16 o  144.296   3.3233  209.335   9.4647 1.756760 6.646614 
1 1 1    7   10   17 o   55.188   7.7333   41.735   9.6523 -49.45306 15.46660 
1 1 1    7   10   18 o  125.871   3.6038  159.229   9.0380 -14.41996 7.207654 
1 1 1    7   10   19 o   36.287   8.9803   11.980   7.2389 -5.036793 17.96067 
1 1 1    7   10   20 o  124.386   3.2449  156.077   8.0293 2.900841 6.489866 
1 1 1    7   10   21 o   82.614   4.2116   69.796   6.8876 10.66005 8.423193 
1 1 1    7   10   22 o  170.044   3.8094  289.591   12.187 -4.776184 7.618862 
1 1 1    7   10   23 o   59.020   7.3030   40.279   7.4657 13.83170 14.60604 
1 1 1    7   10   24 o   88.619   6.1821   74.391   9.7805 -12.25751 12.36424 
1 1 1    7   10   25 o   86.040   6.8389   89.270   9.7723 -39.02885 13.67774 
1 1 1    7   10   26 o  110.856   4.4707  132.177   9.3403 -18.67414 8.941319 
1 1 1    7   10   27 o  161.507   5.2973  263.666   17.050 -14.63304 10.59462 
1 1 1    7   11    0 o  370.588   9.6745  1385.79   71.491 0.000000 0.000000 
1 1 1    7   11    1 o  209.622   4.3922  440.323   18.413 -0.7131805 8.784303 
1 1 1    7   11    2 o  174.098   4.0390  312.049   13.126 -14.33147 8.078024 
1 1 1    7   11    3 o  235.935   3.6579  557.571   17.102 -0.1284332 7.315796 
1 1 1    7   11    4 o  146.059   4.5498  215.425   13.074 32.61015 9.099687 
1 1 1    7   11    5 o  214.635   3.7793  461.253   16.211 -3.203217 7.558622 
1 1 1    7   11    6 o  109.067   4.2093  118.234   9.1427 -12.40710 8.418555 
1 1 1    7   11    7 f  176.249   3.6323  314.846   12.618 -14.87794 7.264651 
1 1 1    7   11    8 o  219.734   4.0154  483.699   17.628 -3.740128 8.030734 
1 1 1    7   11    9 o  152.615   4.3418  236.373   12.982 9.883041 8.683509 
1 1 1    7   11   10 o  162.919   4.4870  264.984   14.580 -10.72478 8.973927 
1 1 1    7   11   11 o  249.652   3.9688  625.772   19.538 -1.103088 7.937651 
1 1 1    7   11   12 o   57.811   7.4614   34.265   8.1823 0.3816147 14.92275 
1 1 1    7   11   13 o  186.753   3.4038  350.643   12.657 4.983093 6.807606 
1 1 1    7   11   14 o  133.658   3.2953  179.260   8.8008 0.4929047 6.590689 
1 1 1    7   11   15 o  102.633   3.6887  105.815   7.5642 0.3336868 7.377367 
1 1 1    7   11   16 o   94.828   3.9142   90.135   7.3825 -3.028999 7.828485 
1 1 1    7   11   17 o   76.754   5.4719   60.808   8.1575 -6.955681 10.94383 
1 1 1    7   11   18 o   71.815   4.6673   52.134   6.6276 -0.7076035 9.334571 
1 1 1    7   11   19 o  108.302   5.5054  132.482   10.158 -26.17870 11.01082 
1 1 1    7   11   20 o   59.290   6.7960   38.885   7.4560 22.76176 13.59205 
1 1 1    7   11   21 o   81.225   4.6654   67.317   7.5782 1.488205 9.330861 
1 1 1    7   11   22 o   36.326   9.0283   13.611   8.1702 -5.952076 18.05650 
1 1 1    7   11   23 o   47.050   9.5516   25.198   11.318 -26.03046 19.10310 
1 1 1    7   11   24 o   78.576   5.7314   63.746   8.9210 15.29688 11.46282 
1 1 1    7   11   25 o   46.001   8.4723   24.888   7.9859 10.33915 16.94462 
1 1 1    7   12    0 o  291.707   5.6542  855.156   32.932 0.000000 0.000000 
1 1 1    7   12    1 o  208.398   3.5843  434.801   14.817 -1.615250 7.168691 
1 1 1    7   12    2 o  157.973   6.2875  250.414   19.865      ?      ? 
1 1 1    7   12    3 o  230.243   3.7737  528.202   17.129 -7.957047 7.547400 
1 1 1    7   12    4 o  295.285   4.9020  874.522   27.451 -0.6409607 9.803977 
1 1 1    7   12    5 o  142.150   4.6634  202.800   13.255 1.391968 9.326797 
1 1 1    7   12    6 o   80.468   5.2748   65.652   8.3870 5.892097 10.54959 
1 1 1    7   12    7 o  120.791   4.0226  146.507   9.7104 3.928360 8.045239 
1 1 1    7   12    8 o  111.321   3.9498  124.570   8.6855 1.185616 7.899523 
1 1 1    7   12    9 o  113.680   3.8465  129.037   8.6669 -4.370117 7.693028 
1 1 1    7   12   10 o  174.630   3.3951  305.958   11.758 0.2976990 6.790238 
1 1 1    7   12   11 f  152.379   3.4148  234.562   10.305 8.369629 6.829575 
1 1 1    7   12   12 o  101.960   4.7380  105.609   8.7809 2.304230 9.476086 
1 1 1    7   12   13 o  104.872   6.2294  110.777   13.066      ?      ? 
1 1 1    7   12   14 o   89.984   4.6379   84.238   8.0596 15.74137 9.275868 
1 1 1    7   12   15 o   86.621   4.8367   76.143   8.3277 2.307785 9.673314 
1 1 1    7   12   16 f  145.184   3.9306  213.049   11.393 -6.889450 7.861246 
1 1 1    7   12   17 f   60.637   8.4594   40.033   9.8998 8.525520 16.91879 
1 1 1    7   12   18 o  107.021   4.2868  115.555   8.9922 -2.401955 8.573631 
1 1 1    7   12   19 o   29.886   8.7814   3.5216   8.6387 -0.3089943 17.56289 
1 1 1    7   12   20 o   85.724   5.7446   75.892   9.8190 9.066727 11.48925 
1 1 1    7   12   21 o   59.123   17.579   37.782   22.296      ?      ? 
1 1 1    7   12   22 o   62.255   10.391   47.203   11.573 -1.022408 20.78117 
1 1 1    7   12   23 o   69.492   7.5041   52.932   10.100 10.23206 15.00824 
1 1 1    7   12   24 o   27.935   8.4717   25.859   8.4755 -0.2017345 16.94331 
1 1 1    7   12   25 o   74.619   8.7440   65.101   12.175 -37.20239 17.48793 
1 1 1    7   13    0 o  157.927   4.5350  250.936   14.263 0.000000 0.000000 
1 1 1    7   13    1 o   90.915   5.4058   83.916   8.9049 -1.964790 10.81170 
1 1 1    7   13    2 o  186.212   3.9725  347.629   13.767 0.5408478 7.945009 
1 1 1    7   13    3 o   30.764   8.5654   5.3674   7.6229 -4.920088 17.13083 
1 1 1    7   13    4 o   84.993   4.4295   72.744   7.5131 -6.227531 8.858926 
1 1 1    7   13    5 o  242.288   3.7793  589.687   18.143 -1.317429 7.558508 
1 1 1    7   13    6 o  158.980   3.4465  253.119   10.856 2.056610 6.893043 
1 1 1    7   13    7 o  133.719   3.5201  179.819   9.3318 -1.805023 7.040164 
1 1 1    7   13    8 o   57.703   6.2855   33.515   7.2263 5.572533 12.57107 
1 1 1    7   13    9 o   66.760   5.3657   44.716   7.1378 7.841923 10.73131 
1 1 1    7   13   10 o   38.741   8.1400   15.556   6.7941 5.086224 16.27991 
1 1 1    7   13   11 o  117.188   3.5910  137.935   8.4119 0.2932816 7.182036 
1 1 1    7   13   12 o   32.297   8.2644   8.8094   6.9295 -5.335329 16.52884 
1 1 1    7   13   13 o   87.032   4.2559   76.798   7.3844 4.671555 8.511708 
1 1 1    7   13   14 o   76.182   5.7499   59.391   8.3431 1.012474 11.49981 
1 1 1    7   13   15 o   52.897   7.3611   30.089   7.5830 -12.08889 14.72218 
1 1 1    7   13   16 o   44.022   9.7789   20.351   9.1654 3.843552 19.55783 
1 1 1    7   13   17 o   52.290   9.9939   29.621   10.422 8.370277 19.98786 
1 1 1    7   13   18 o   64.797   7.7277   45.113   9.7603 -9.850929 15.45550 
1 1 1    7   13   19 o  123.404   5.6511  159.092   13.482 19.42217 11.30219 
1 1 1    7   13   20 o   57.233   10.799   60.685   16.576 -39.94576 21.59856 
1 1 1    7   13   21 o   45.058   11.372   23.899   13.320 -8.628498 22.74301 
1 1 1    7   13   22 o   43.384   10.327   22.384   10.291 -6.429771 20.65339 
1 1 1    7   13   23 o   61.754   13.871   41.328   16.711      ?      ? 
1 1 1    7   14    0 o   31.485   11.220   13.273   9.6845 0.000000 0.000000 
1 1 1    7   14    1 o  110.043   3.5874  121.331   7.8866 6.117737 7.174863 
1 1 1    7   14    2 o  137.545   3.7677  189.807   10.357 6.479263 7.535306 
1 1 1    7   14    3 o   31.436   8.4811   7.2348   7.3296 -0.7953644 16.96221 
1 1 1    7   14    4 o   82.722   4.6763   68.331   7.6856 13.17815 9.352574 
1 1 1    7   14    5 o   80.286   4.6427   64.994   7.4525 2.114807 9.285343 
1 1 1    7   14    6 o   28.142   8.2551  -1.9272   7.7633 14.72816 16.51027 
1 1 1    7   14    7 o   76.297   6.4306   60.092   9.4029 -5.342552 12.86122 
1 1 1    7   14    8 o  129.683   3.4002  169.109   8.8110 -7.169792 6.800422 
1 1 1    7   14    9 o   86.981   4.1234   76.522   7.1658 3.586472 8.246717 
1 1 1    7   14   10 o   64.189   5.5977   41.023   7.0934 -8.814388 11.19533 
1 1 1    7   14   11 o   70.392   5.4670   50.363   7.6780 -3.592377 10.93405 
1 1 1    7   14   12 o   44.169   7.7782   21.617   7.0097 -12.94681 15.55636 
1 1 1    7   14   13 o   53.129   7.4061   30.060   7.5469 4.093452 14.81214 
1 1 1    7   14   14 o   55.196   7.6788   33.543   8.1407 -11.01263 15.35755 
1 1 1    7   14   15 o   45.228   8.8355   22.796   8.2593 1.720280 17.67107 
1 1 1    7   14   16 o   31.644   9.2895   5.8899   9.2049 -3.175472 18.57906 
1 1 1    7   14   17 o  302.383   5.7153  880.821   32.796 -43.44434 11.43065 
1 1 1    7   14   18 o  125.449   4.6416  158.554   11.208 25.65414 9.283176 
1 1 1    7   14   19 o   56.860   7.7269   35.785   8.4947 -2.305237 15.45385 
1 1 1    7   14   20 o   28.111   8.6228   0.8994   8.9596 1.326260 17.24562 
1 1 1    7   14   21 o   37.454   14.983   8.9257   16.973      ?      ? 
1 1 1    7   15    0 o   32.352   11.212   15.246   9.2297 0.000000 0.000000 
1 1 1    7   15    1 o   44.618   7.6554   21.408   6.7710 -1.122368 15.31086 
1 1 1    7   15    2 o   72.089   5.2095   52.657   7.4634 -1.616188 10.41903 
1 1 1    7   15    3 o   91.070   4.5269   85.823   8.0273 -11.94407 9.053900 
1 1 1    7   15    4 o   49.736   7.3342   26.421   7.0543 -0.8219948 14.66834 
1 1 1    7   15    5 o   50.951   6.9699   27.118   6.9521 9.046535 13.93973 
1 1 1    7   15    6 o   78.441   5.2664   62.131   8.2169 -6.670731 10.53274 
1 1 1    7   15    7 o   36.599   9.2776   11.593   8.0514 -8.234035 18.55526 
1 1 1    7   15    8 o  118.880   3.9149  144.790   9.1733 13.33424 7.829710 
1 1 1    7   15    9 o   90.450   4.9007   83.399   8.8550 -4.386086 9.801476 
1 1 1    7   15   10 o   47.792   9.6487   21.405   9.5175 22.55675 19.29741 
1 1 1    7   15   11 o   39.014   9.2280   16.202   8.5098 -5.922192 18.45594 
1 1 1    7   15   12 o  109.216   4.8582  128.347   9.9833 -22.39958 9.716384 
1 1 1    7   15   13 o   62.406   7.3892   41.595   8.7327 26.37726 14.77841 
1 1 1    7   15   14 o  280.330   7.8970  795.982   44.275      ?      ? 
1 1 1    7   15   15 o   68.740   9.6456   49.629   13.261      ?      ? 
1 1 1    7   15   16 o   98.261   5.7353   97.308   11.046 14.30383 11.47060 
1 1 1    7   15   17 o   88.693   5.5118   82.105   9.7487 0.8495636 11.02363 
1 1 1    7   15   18 o   33.176   9.0517   9.6076   8.8902 -10.16329 18.10342 
1 1 1    7   15   19 f   57.141   8.4933   34.871   9.4052 6.361980 16.98653 
1 1 1    7   16    0 o   81.172   6.8930   68.509   10.845 0.000000 0.000000 
1 1 1    7   16    1 o   55.659   7.2707   33.728   7.7510 11.31211 14.54137 
1 1 1    7   16    2 o   42.766   10.318   14.156   9.0078 -20.00811 20.63700 
1 1 1    7   16    3 o   82.643   7.0624   67.066   9.6358 -6.888718 14.12472 
1 1 1    7   16    4 o   49.371   8.2244   23.243   7.9159 -25.42655 16.44884 
1 1 1    7   16    5 o   43.285   9.3139   21.050   8.6879 6.362129 18.62779 
1 1 1    7   16    6 o   60.472   6.7557   39.319   7.7672 -15.95357 13.51148 
1 1 1    7   16    7 o   30.817   8.1194   6.3997   7.2710 12.44634 16.23871 
1 1 1    7   16    8 o   35.342   8.6122   12.815   7.4160 -2.634537 17.22447 
1 1 1    7   16    9 o   40.521   9.2728   17.717   8.7109 10.06334 18.54553 
1 1 1    7   16   10 o  100.575   6.1916  103.542   12.215 -24.90772 12.38320 
1 1 1    7   16   11 o   93.158   15.171   90.950   28.265      ?      ? 
1 1 1    7   16   12 o   20.789   7.1435 -19.7380   9.7846 5.017673 14.28700 
1 1 1    7   16   13 o   45.774   10.553   24.268   11.228 -5.855267 21.10654 
1 1 1    7   16   14 o   52.107   9.1269   31.203   9.4648 -6.270947 18.25379 
1 1 1    7   16   15 o   53.859   10.304   34.633   11.129 1.329147 20.60786 
1 1 1    7   16   16 o  111.891   5.6810  131.357   12.422 -10.86028 11.36192 
1 1 1    7   16   17 o   33.425   10.130   7.4051   12.072 -1.195755 20.26016 
1 1 1    7   17    0 o  110.304   8.0986  119.374   16.795 0.000000 0.000000 
1 1 1    7   17    1 o  104.027   6.4698  109.254   13.461      ?      ? 
1 1 1    7   17    2 f  167.920   6.9899  302.360   21.990 -64.56351 13.97981 
1 1 1    7   17    3 o   82.306   7.7386   78.679   10.827 31.81387 15.47725 
1 1 1    7   17    4 o  113.596   5.4963  126.860   12.312 20.14092 10.99254 
1 1 1    7   17    5 o   41.087   10.656   15.184   10.813 0.7150345 21.31282 
1 1 1    7   17    6 o   33.640   9.5920   7.4177   10.690 9.867533 19.18391 
1 1 1    7   17    7 o   29.333   8.6943   1.5358   9.2392 12.42635 17.38865 
1 1 1    7   17    8 o   61.571   8.1095   42.124   9.6549 -14.33419 16.21891 
1 1 1    7   17    9 o   65.262   7.6503   46.353   9.7233 10.05911 15.30055 
1 1 1    7   17   10 o   70.100   6.5161   52.001   9.0777 -11.00450 13.03228 
1 1 1    7   17   11 o   45.061   9.8019   23.464   9.5323 -3.079834 19.60385 
1 1 1    7   17   13 o   35.502   9.8881   8.0791   10.389 2.536793 19.77628 
1 1 1    7   18    0 o   25.101   11.182   3.8449   12.343 0.000000 0.000000 
1 1 1    7   18    1 o   90.776   5.6201   86.477   10.179 -0.2944565 11.24024 
1 1 1    7   18    2 o   44.299   10.007   22.975   9.8896 -1.723927 20.01485 
1 1 1    7   18    3 o   56.503   9.5397   37.231   10.540 -4.669273 19.07938 
1 1 1    7   18    4 o   46.252   9.9334   25.456   10.195 8.397129 19.86687 
1 1 1    7   18    5 o   72.868   8.8410   61.724   12.266 -6.335480 17.68202 
1 1 1    7   18    6 o   21.864   7.6089   26.436   11.390 1.537235 15.21776 
1 1 1    7   18    7 o   25.679   8.5873 -14.3642   11.724 -1.170761 17.17454 
1 1 1    7   18    8 o   56.691   10.021   35.062   11.896 23.48094 20.04210 
1 1 1    7   18    9 o   64.919   8.6885   46.479   11.019 -10.57649 17.37691 
1 1 1    8    0    0 o  380.235   9.5134  1452.49   72.128 0.000000 0.000000 
1 1 1    8    0    1 o  225.543   5.8259  511.211   26.203 0.000000 0.000000 
1 1 1    8    0    2 o  297.154   7.5152  887.783   44.537 0.000000 0.000000 
1 1 1    8    0    3 o  612.624   13.234  3779.66  152.240 0.000000 0.000000 
1 1 1    8    0    4 o  258.900   5.3405  679.632   24.337 0.000000 0.000000 
1 1 1    8    0    5 o  176.952   3.8416  320.542   12.183 0.000000 0.000000 
1 1 1    8    0    6 o  361.993   7.3730  1326.56   46.731 0.000000 0.000000 
1 1 1    8    0    7 o  475.033   10.275  2284.98   92.477 0.000000 0.000000 
1 1 1    8    0    8 o  208.388   4.6940  437.969   18.619 0.000000 0.000000 
1 1 1    8    0    9 o   41.331   7.5438   20.493   5.3997 0.000000 0.000000 
1 1 1    8    0   10 o  120.560   2.9090  145.997   6.9952 0.000000 0.000000 
1 1 1    8    0   11 o  159.155   3.2789  254.136   10.415 0.000000 0.000000 
1 1 1    8    0   12 o  275.646   5.0117  762.525   27.576 0.000000 0.000000 
1 1 1    8    0   13 o  430.293   7.6344  1859.88   65.555 0.000000 0.000000 
1 1 1    8    0   14 o   89.918   5.7918   81.931   10.327 0.000000 0.000000 
1 1 1    8    0   15 o  228.020   5.2425  523.884   22.869 0.000000 0.000000 
1 1 1    8    0   16 o  135.747   3.6738  185.271   9.9381 0.000000 0.000000 
1 1 1    8    0   17 o  361.874   6.5197  1313.81   47.085 0.000000 0.000000 
1 1 1    8    0   18 o  422.934   9.1806  1818.10   74.365 0.000000 0.000000 
1 1 1    8    0   19 o   59.525   11.113   37.180   10.668 0.000000 0.000000 
1 1 1    8    0   20 o   13.047   6.8217 -38.7349   11.105 0.000000 0.000000 
1 1 1    8    0   21 o  340.620   7.6911  1184.64   50.116 0.000000 0.000000 
1 1 1    8    0   22 o  159.264   4.1919  254.010   13.280 0.000000 0.000000 
1 1 1    8    0   23 o  396.543   9.0360  1546.84   64.429 0.000000 0.000000 
1 1 1    8    0   24 o  138.135   6.0907  183.242   14.285 0.000000 0.000000 
1 1 1    8    0   25 o  107.425   8.5125  121.620   17.630 0.000000 0.000000 
1 1 1    8    0   26 o   49.319   10.348   31.381   9.3439 0.000000 0.000000 
1 1 1    8    0   27 o   38.840   11.792   22.231   9.4067 0.000000 0.000000 
1 1 1    8    0   28 o   23.967   10.485   5.6021   9.6031 0.000000 0.000000 
1 1 1    8    0   29 o   14.219   10.470 -37.0373   17.303 0.000000 0.000000 
1 1 1    8    0   30 o   22.353   10.969 -12.4272   17.499 0.000000 0.000000 
1 1 1    8    0   31 o   37.298   12.970   22.348   10.614 0.000000 0.000000 
1 1 1    8    0   32 o  201.287   6.3179  408.262   25.379 0.000000 0.000000 
1 1 1    8    1    0 o  179.633   3.9113  323.208   14.037 0.000000 0.000000 
1 1 1    8    1    1 o  328.719   6.4821  1090.83   34.465 -4.438965 12.96415 
1 1 1    8    1    2 o  258.369   5.1866  669.227   21.458 -0.6456909 10.37330 
1 1 1    8    1    3 o  662.285   8.2015  4404.82  108.632 2.425171 16.40296 
1 1 1    8    1    4 o  162.712   2.4300  262.029   7.7432 8.213837 4.860020 
1 1 1    8    1    5 o  373.874   5.7227  1399.72   40.236 1.035187 11.44541 
1 1 1    8    1    6 o   85.596   2.5781   73.249   4.2422 -0.2514648 5.156274 
1 1 1    8    1    7 o  285.061   3.8962  814.076   21.980 0.1447144 7.792336 
1 1 1    8    1    8 o  121.634   2.3955  146.745   5.5134 3.323814 4.791012 
1 1 1    8    1    9 o  188.810   3.0187  350.370   10.119 7.443085 6.037323 
1 1 1    8    1   10 o  342.139   5.0970  1173.58   31.432 1.082306 10.19393 
1 1 1    8    1   11 o  256.470   3.9017  657.149   18.047 1.732925 7.803324 
1 1 1    8    1   12 o  176.572   2.9078  315.614   9.5169 -5.240143 5.815614 
1 1 1    8    1   13 o  183.033   4.2145  256.982   10.092 58.72408 8.428969 
1 1 1    8    1   14 o  323.536   5.0002  1058.59   30.906 -9.844604 10.00046 
1 1 1    8    1   15 o  131.386   2.6190  173.452   6.8466 -14.48420 5.238085 
1 1 1    8    1   16 o  255.255   4.0557  660.029   20.002 -12.03107 8.111330 
1 1 1    8    1   17 o  239.610   3.9198  576.750   17.977 -2.613876 7.839650 
1 1 1    8    1   18 o  154.902   3.1677  238.688   9.7831 -13.79141 6.335325 
1 1 1    8    1   19 o  214.334   3.6244  452.958   15.386 -23.54996 7.248731 
1 1 1    8    1   20 o  225.991   4.0338  521.100   17.456 -15.13013 8.067557 
1 1 1    8    1   21 o  210.248   6.3839  443.467   26.844      ?      ? 
1 1 1    8    1   22 o   68.918   6.4253   46.349   7.4155 58.25234 12.85055 
1 1 1    8    1   23 o  261.394   3.6696  689.480   18.771 -7.033539 7.339118 
1 1 1    8    1   24 o  139.425   2.9948  194.844   8.2064 0.4176025 5.989506 
1 1 1    8    1   25 o   25.122   7.7053  -1.3260   7.2042 1.244833 15.41055 
1 1 1    8    1   26 o   56.349   6.8258   33.922   7.3413 12.64182 13.65163 
1 1 1    8    1   27 o   79.385   4.2406   64.616   6.5139 -4.350739 8.481244 
1 1 1    8    1   28 o   72.177   5.8245   53.413   7.5682 -0.2806091E-01 11.64896 
1 1 1    8    1   30 f   42.761   8.6748   24.121   11.731 -32.62073 17.34966 
1 1 1    8    1   31 o  121.613   4.1606  148.367   8.4298 3.531586 8.321201 
1 1 1    8    1   32 o  310.934   6.2042  620.271   27.880 -180.8473 12.40841 
1 1 1    8    2    0 o  368.850   6.5191  1364.86   48.025 0.000000 0.000000 
1 1 1    8    2    1 o   75.367   2.3019   56.539   3.4609 5.553535 4.603794 
1 1 1    8    2    2 o  178.083   2.7771  317.296   9.8901 0.1887207 5.554143 
1 1 1    8    2    3 o  140.973   2.2293  198.575   6.2228 -1.143799 4.458647 
1 1 1    8    2    4 o  393.593   5.6613  1552.94   44.562 -3.210663 11.32267 
1 1 1    8    2    5 o  173.230   2.5580  300.220   8.7428 0.1302185 5.116045 
1 1 1    8    2    6 o   93.852   2.1160   87.827   3.8141 1.122627 4.231950 
1 1 1    8    2    7 o  112.922   2.1491  128.887   4.7451 -5.818794 4.298194 
1 1 1    8    2    8 o   93.669   2.1959   85.803   3.8838 6.271339 4.391774 
1 1 1    8    2    9 o  145.102   2.3655  210.476   6.6948 0.8517761 4.731050 
1 1 1    8    2   10 o   31.991   5.1995   10.528   3.0230 0.6154518 10.39906 
1 1 1    8    2   11 o  133.602   2.7933  179.139   7.4431 5.143600 5.586551 
1 1 1    8    2   12 o  289.816   4.2642  841.748   24.703 6.927399 8.528313 
1 1 1    8    2   13 o  383.323   5.2012  1471.61   39.376 4.103210 10.40245 
1 1 1    8    2   14 o  175.006   2.7796  306.730   9.6871 -1.434921 5.559228 
1 1 1    8    2   15 o  257.008   4.3224  664.141   22.004 -7.505173 8.644877 
1 1 1    8    2   16 o  191.917   3.2564  365.011   12.369 -12.59174 6.512821 
1 1 1    8    2   17 f  404.177   5.5089  1637.44   44.067 1.759918 11.01790 
1 1 1    8    2   18 o  330.373   5.2309  1106.29   33.158 -13.56680 10.46184 
1 1 1    8    2   19 o  130.706   4.7212  171.089   12.342      ?      ? 
1 1 1    8    2   20 o  187.855   3.1783  343.456   11.631 22.34990 6.356698 
1 1 1    8    2   21 o  202.997   3.3237  412.718   13.420 0.4823608 6.647381 
1 1 1    8    2   22 o  249.874   3.5677  627.357   17.352 -1.779861 7.135429 
1 1 1    8    2   23 o  227.385   3.3518  516.550   14.773 3.930206 6.703621 
1 1 1    8    2   24 o  101.400   3.7644  104.872   7.4776 8.682495 7.528716 
1 1 1    8    2   25 o   96.743   3.5428   94.106   6.8540 -1.960747 7.085671 
1 1 1    8    2   26 o  130.082   3.0893  171.322   7.9589 -6.948051 6.178540 
1 1 1    8    2   27 o   51.833   6.8970   29.522   6.8314 20.27256 13.79401 
1 1 1    8    2   28 o  120.148   3.5968  145.800   7.9430 0.1988220 7.193555 
1 1 1    8    2   30 o   69.160   5.9561   50.227   8.0410 -3.151711 11.91220 
1 1 1    8    2   31 o  101.590   5.9878   92.380   10.778 32.26739 11.97559 
1 1 1    8    2   32 o   49.088   8.5707   28.433   9.3607 -26.37551 17.14148 
1 1 1    8    3    0 o   25.549   8.0696   6.7712   4.6056 0.000000 0.000000 
1 1 1    8    3    1 o  447.978   6.0102  2013.80   53.345 2.143616 12.02040 
1 1 1    8    3    2 o  234.303   3.0272  549.360   14.185 -1.387421 6.054405 
1 1 1    8    3    3 o  162.072   3.2326  251.369   10.148 27.62224 6.465264 
1 1 1    8    3    4 o  184.406   2.4942  340.259   9.1986 -0.6338806 4.988343 
1 1 1    8    3    5 o  311.000   4.2430  970.023   26.136 1.494049 8.485932 
1 1 1    8    3    6 o  241.537   3.1118  584.308   15.032 -0.7923279 6.223613 
1 1 1    8    3    7 o  288.625   3.6558  834.700   21.102 2.066010 7.311700 
1 1 1    8    3    8 o   59.747   2.5555   35.749   3.0435 -6.447098 5.111022 
1 1 1    8    3    9 o   70.187   3.1224   49.347   3.5320 -0.7473755E-01 6.244859 
1 1 1    8    3   10 o  260.010   3.4638  679.714   17.455 -3.833923 6.927689 
1 1 1    8    3   11 o  184.343   2.7952  340.778   10.105 -1.355728 5.590434 
1 1 1    8    3   12 o  190.688   3.4298  366.841   12.922 -35.01401 6.859537 
1 1 1    8    3   13 o  347.036   5.0909  1204.74   35.259 13.22711 10.18176 
1 1 1    8    3   14 o  367.162   6.0310  1341.18   42.894 12.08133 12.06198 
1 1 1    8    3   15 o  156.040   5.6332  243.829   17.580      ?      ? 
1 1 1    8    3   16 o  461.429   8.2086  2143.64   75.754 0.6466675E-01 16.41722 
1 1 1    8    3   17 f  311.835   5.0003  968.148   29.141 5.664490 10.00062 
1 1 1    8    3   18 o  250.961   6.9687  631.507   34.977      ?      ? 
1 1 1    8    3   19 o  548.155   8.9417  3030.32   95.725 4.086975 17.88342 
1 1 1    8    3   20 o  207.208   5.2597  430.395   21.797      ?      ? 
1 1 1    8    3   21 o   74.127   6.4292   50.970   9.1350 26.39911 12.85833 
1 1 1    8    3   22 o   91.909   6.1261   85.792   10.987 -26.13216 12.25224 
1 1 1    8    3   23 o   81.774   5.7194   64.250   9.0450 15.77145 11.43872 
1 1 1    8    3   24 o  152.183   3.9620  226.705   11.150 10.31250 7.923984 
1 1 1    8    3   25 o   41.821   9.1465   19.940   8.9961 -14.81620 18.29298 
1 1 1    8    3   26 o  113.002   5.3931  123.346   9.7800 8.907463 10.78614 
1 1 1    8    3   27 o   78.252   6.2298   62.233   9.7500      ?      ? 
1 1 1    8    3   28 o   56.113   6.7404   40.772   6.7120 41.25694 13.48075 
1 1 1    8    3   29 o  260.699   9.8294  259.140   30.686 -270.7513 19.65872 
1 1 1    8    3   30 o   68.140   4.5469   46.324   5.5160 -3.818123 9.093890 
1 1 1    8    3   31 o   91.721   3.7637   92.358   6.5094 26.73856 7.527445 
1 1 1    8    4    0 o  106.512   2.8303  113.978   6.0097 0.000000 0.000000 
1 1 1    8    4    1 o   89.708   2.0636   80.516   3.7025 -0.6213379E-01 4.127246 
1 1 1    8    4    2 o  296.872   5.3361  884.493   31.682 1.376434 10.67229 
1 1 1    8    4    3 o  144.551   2.8720  205.655   7.9673 8.394501 5.743929 
1 1 1    8    4    4 o  171.233   2.3922  293.103   8.1850 4.956680 4.784379 
1 1 1    8    4    5 o   64.577   2.8389   42.123   3.5796 -2.801121 5.677729 
1 1 1    8    4    6 o  130.310   2.1297  169.931   5.5505 0.1576843 4.259447 
1 1 1    8    4    7 o   81.541   2.3938   66.777   3.8712 2.177223 4.787689 
1 1 1    8    4    8 o  118.967   2.2804  141.838   5.3824 1.254021 4.560812 
1 1 1    8    4    9 o  105.508   2.8864   98.790   5.5565 -28.89080 5.772821 
1 1 1    8    4   10 o  379.720   5.8291  1451.12   41.823 0.9653625 11.65820 
1 1 1    8    4   11 o  172.921   2.6997  297.462   9.2081 -6.140884 5.399357 
1 1 1    8    4   12 o  121.691   2.3796  147.932   5.7345 1.465141 4.759237 
1 1 1    8    4   13 f  309.461   5.1320  963.174   31.156 -5.399323 10.26393 
1 1 1    8    4   14 o  686.487   9.8942  4748.81  135.736 16.03912 19.78831 
1 1 1    8    4   15 o  365.353   6.6201  1329.50   48.079 26.11884 13.24027 
1 1 1    8    4   16 o  241.240   4.3156  584.768   20.493 4.195572 8.631243 
1 1 1    8    4   17 o   58.774   7.8406   37.113   8.7661 -17.33186 15.68118 
1 1 1    8    4   18 o  178.162   6.3033  318.239   22.460      ?      ? 
1 1 1    8    4   19 o  395.014   6.5375  1572.77   50.650 -3.105652 13.07500 
1 1 1    8    4   20 o  171.800   4.9599  282.708   14.618 14.84010 9.919744 
1 1 1    8    4   21 o  182.201   4.8518  325.806   14.184 6.789124 9.703565 
1 1 1    8    4   22 o   49.890   8.2588   29.340   8.1626 -20.21581 16.51757 
1 1 1    8    4   23 o  140.742   4.1469  204.159   11.369 -21.72014 8.293819 
1 1 1    8    4   24 o   84.300   8.2632   71.944   13.932      ?      ? 
1 1 1    8    4   25 o  133.626   5.7228  179.765   12.593 1.441010 11.44551 
1 1 1    8    4   26 o  134.616   4.2489  187.230   11.101 -13.52451 8.497862 
1 1 1    8    4   27 o  145.407   4.2464  218.237   11.966 -11.27077 8.492884 
1 1 1    8    4   28 o   58.158   7.9968   35.922   8.7359 14.03086 15.99367 
1 1 1    8    4   29 o   67.718   7.7085   45.206   9.5609 38.73855 15.41695 
1 1 1    8    4   30 o   62.969   7.2992   45.450   7.9884 -11.89707 14.59845 
1 1 1    8    5    0 o  272.648   4.9389  746.212   26.891 0.000000 0.000000 
1 1 1    8    5    1 o  189.457   3.2964  361.721   12.399 11.86044 6.592791 
1 1 1    8    5    2 o  125.399   2.1250  157.348   5.3283 0.4820251 4.249901 
1 1 1    8    5    3 o  106.756   2.1279  113.968   4.5416 -3.113586 4.255773 
1 1 1    8    5    4 o  116.613   3.1170  114.364   6.6406 -50.71169 6.233938 
1 1 1    8    5    5 o  235.197   3.3241  555.731   15.531 5.479126 6.648250 
1 1 1    8    5    6 o  123.596   2.1747  152.851   5.3751 -2.280609 4.349369 
1 1 1    8    5    7 o  148.783   2.6863  221.758   7.9884 -3.711380 5.372688 
1 1 1    8    5    8 o  102.277   2.2984  104.699   4.7013 -0.5996094 4.596804 
1 1 1    8    5    9 o  210.973   3.0835  445.199   12.865 -1.819397 6.167082 
1 1 1    8    5   10 o  356.006   6.3712  1249.79   44.719 37.88254 12.74238 
1 1 1    8    5   11 o  119.100   3.0571  133.663   6.9255 -21.80332 6.114191 
1 1 1    8    5   12 o  336.579   4.2782  1133.70   28.776 8.013245 8.556369 
1 1 1    8    5   13 o  456.021   6.1575  2091.24   55.838 10.52222 12.31491 
1 1 1    8    5   14 o  326.840   4.8113  1070.66   31.451 -0.1168518 9.622652 
1 1 1    8    5   15 o  556.250   7.5204  3098.40   82.309 12.51605 15.04071 
1 1 1    8    5   16 o  241.965   4.3906  586.405   20.778 0.1678925 8.781160 
1 1 1    8    5   17 o  190.592   6.0514  364.092   23.067      ?      ? 
1 1 1    8    5   18 o  184.434   4.5182  340.441   16.649 -8.895935 9.036302 
1 1 1    8    5   19 o  144.944   4.2097  207.863   11.966 -9.453049 8.419417 
1 1 1    8    5   20 o  186.394   4.1140  349.013   15.047 0.8530121 8.228049 
1 1 1    8    5   21 f  127.932   4.5923  164.286   11.699 2.477158 9.184607 
1 1 1    8    5   22 o   74.459   7.3346   55.976   10.923      ?      ? 
1 1 1    8    5   23 o  168.285   5.7454  304.620   14.313 -17.29578 11.49078 
1 1 1    8    5   24 o   61.701   8.9910   38.998   11.095      ?      ? 
1 1 1    8    5   25 o  139.895   3.9327  198.737   10.353 -2.470352 7.865427 
1 1 1    8    5   26 f  136.602   4.0114  185.452   10.067 5.852310 8.022834 
1 1 1    8    5   27 o  120.733   4.9117  147.758   11.797 14.04774 9.823375 
1 1 1    8    5   28 o  330.195   8.8013  1106.76   58.123      ?      ? 
1 1 1    8    5   29 o   41.583   8.8658   13.879   8.3575 27.27491 17.73165 
1 1 1    8    5   30 o   24.720   7.7553  -1.8531   7.3769 5.034214 15.51057 
1 1 1    8    5   31 o  129.189   6.9461  170.169   17.947      ?      ? 
1 1 1    8    6    0 o  300.905   5.4284  909.526   32.621 0.000000 0.000000 
1 1 1    8    6    1 o   85.401   3.1869   73.031   5.4417 2.915443 6.373855 
1 1 1    8    6    2 o  111.403   2.2619  124.221   5.0392 0.7507782 4.523728 
1 1 1    8    6    3 o  299.524   4.1280  899.198   24.457 -0.7879639 8.256035 
1 1 1    8    6    4 o  262.130   3.3955  688.134   17.796 3.886414 6.790924 
1 1 1    8    6    5 o  195.182   3.8363  337.643   13.729 -56.16046 7.672514 
1 1 1    8    6    6 f  246.463   3.4866  608.610   17.016 0.4777679 6.973156 
1 1 1    8    6    7 o  167.941   5.1704  282.649   17.366      ?      ? 
1 1 1    8    6    8 f  251.163   4.2850  617.270   20.547 19.14328 8.569903 
1 1 1    8    6    9 o  185.657   3.0968  345.052   11.498 -1.492996 6.193681 
1 1 1    8    6   10 o  362.995   5.9487  1323.86   42.304 -2.435242 11.89748 
1 1 1    8    6   11 o  204.790   3.3179  419.826   13.589 0.1897430 6.635778 
1 1 1    8    6   12 f  117.224   3.7741   91.963   7.2291 -82.42200 7.548138 
1 1 1    8    6   13 o  198.440   3.1199  395.189   12.342 7.821457 6.239857 
1 1 1    8    6   14 o  276.612   5.2298  756.056   28.685 -30.63461 10.45959 
1 1 1    8    6   15 o  183.405   3.8895  335.260   14.228 18.19849 7.779078 
1 1 1    8    6   16 o  304.780   4.8811  924.232   27.849 6.565460 9.762294 
1 1 1    8    6   17 o   82.736   4.9201   79.655   6.7943 51.14606 9.840184 
1 1 1    8    6   18 o   69.862   4.3831   40.210   4.9798 -21.52894 8.766237 
1 1 1    8    6   19 o  219.804   4.7569  485.136   20.897 -11.80098 9.513751 
1 1 1    8    6   20 o  414.751   6.1531  1737.65   51.028 4.006042 12.30620 
1 1 1    8    6   21 o  181.600   4.2008  327.876   14.563 6.780502 8.401589 
1 1 1    8    6   22 o  162.507   3.6989  266.338   11.986 -10.49614 7.397794 
1 1 1    8    6   23 f  235.628   4.0064  559.257   18.869 0.3998108 8.012843 
1 1 1    8    6   24 f   78.547   5.5932   63.028   8.2075 -1.042511 11.18636 
1 1 1    8    6   25 o  117.950   4.2630  137.512   9.3716 7.337456 8.526030 
1 1 1    8    6   26 o  114.458   4.4663  132.474   9.4381 1.201233 8.932523 
1 1 1    8    6   27 o   41.382   13.738   18.872   13.279      ?      ? 
1 1 1    8    6   28 o   65.817   8.2452   47.343   10.854      ?      ? 
1 1 1    8    6   29 o   87.285   5.6364   85.529   8.8034 -19.66501 11.27277 
1 1 1    8    7    0 o  128.256   4.2666  161.368   9.9917 0.000000 0.000000 
1 1 1    8    7    1 o  272.258   3.8249  743.157   20.595 0.9341431E-01 7.649755 
1 1 1    8    7    2 o  242.213   4.5670  562.763   21.377 -40.06670 9.134088 
1 1 1    8    7    3 o  266.647   3.4877  712.242   18.596 3.392975 6.975438 
1 1 1    8    7    4 o  197.829   3.0270  390.951   11.848 -3.057648 6.054027 
1 1 1    8    7    5 o  238.738   4.5809  540.350   21.093 -48.12035 9.161853 
1 1 1    8    7    6 o  165.321   2.8044  272.123   9.1582 -5.381836 5.608714 
1 1 1    8    7    7 o  413.767   5.6067  1719.49   45.987 2.583862 11.21340 
1 1 1    8    7    8 o  224.893   3.9883  503.662   17.476 -5.502884 7.976613 
1 1 1    8    7    9 o  223.271   3.0883  498.898   13.790 -2.957764 6.176622 
1 1 1    8    7   10 o  401.897   6.5572  1614.88   51.337 -6.666046 13.11444 
1 1 1    8    7   11 o  278.878   5.1223  779.017   28.548 -5.775879 10.24462 
1 1 1    8    7   12 o  318.598   4.7473  1017.23   30.247 -2.673004 9.494645 
1 1 1    8    7   13 o  252.772   4.2446  643.768   20.305 -4.731857 8.489172 
1 1 1    8    7   14 o  288.927   5.3715  817.555   30.555 37.33612 10.74291 
1 1 1    8    7   15 o  218.074   3.4764  467.207   14.791 -18.00343 6.952752 
1 1 1    8    7   16 o  138.489   3.6771  176.798   9.7680 47.26064 7.354246 
1 1 1    8    7   17 o  157.550   3.6110  250.926   11.252 11.28676 7.221972 
1 1 1    8    7   18 o  263.630   3.6180  696.984   19.076 0.8302002 7.235991 
1 1 1    8    7   19 o  379.320   5.2501  1452.95   39.545 -7.893280 10.50029 
1 1 1    8    7   20 o  198.068   3.0455  393.563   12.064 -0.5511017 6.091063 
1 1 1    8    7   21 o  177.200   3.2350  311.254   11.151 -9.203125 6.469973 
1 1 1    8    7   22 o  148.992   4.6211  222.864   13.713 19.08302 9.242112 
1 1 1    8    7   23 o  163.366   3.6331  269.399   11.849 -6.310089 7.266268 
1 1 1    8    7   24 o   95.460   4.4980   92.755   8.5517 -4.488182 8.996025 
1 1 1    8    7   25 o   62.934   7.0731   43.042   8.3494 -21.69861 14.14616 
1 1 1    8    7   26 o   90.166   6.7780   87.071   10.823 -4.587975 13.55600 
1 1 1    8    7   27 o   97.201   7.7564   94.618   14.891 16.22739 15.51277 
1 1 1    8    7   28 o   95.305   5.3149   98.715   9.5574 -17.17599 10.62980 
1 1 1    8    7   29 o   44.197   11.525   23.029   12.331 19.19911 23.04907 
1 1 1    8    8    0 o  202.443   5.1485  410.642   19.253 0.000000 0.000000 
1 1 1    8    8    1 o  320.047   4.4476  1027.68   28.204 -2.356628 8.895192 
1 1 1    8    8    2 o  335.895   4.6282  1130.23   30.749 1.460205 9.256474 
1 1 1    8    8    3 o  142.947   2.5614  204.281   7.3186 -4.097610 5.122705 
1 1 1    8    8    4 f  167.174   3.0964  279.437   10.343 -3.965942 6.192836 
1 1 1    8    8    5 o   61.639   4.0624   38.043   5.0072 -1.108208 8.124756 
1 1 1    8    8    6 o  240.110   3.5244  577.096   16.764 -0.2994537 7.048712 
1 1 1    8    8    7 o  407.684   5.5544  1666.68   44.838 0.2144470 11.10884 
1 1 1    8    8    8 o  272.651   3.6228  744.266   19.755 -1.061584 7.245613 
1 1 1    8    8    9 o  534.595   6.6844  2870.48   71.468 0.4616699 13.36873 
1 1 1    8    8   10 o  344.310   4.4184  1187.75   30.424 2.008484 8.836822 
1 1 1    8    8   11 o  325.402   4.2180  1060.36   27.443 4.476868 8.435904 
1 1 1    8    8   12 o   62.812   6.0783   42.003   6.9556 26.21954 12.15663 
1 1 1    8    8   13 o  182.788   3.3891  335.364   12.201 2.544388 6.778181 
1 1 1    8    8   14 o  205.056   4.8034  366.513   18.300 -78.29868 9.606794 
1 1 1    8    8   15 o  216.780   3.5070  469.230   15.026 4.849976 7.014094 
1 1 1    8    8   16 o  282.758   4.8720  763.636   24.304 28.13736 9.743918 
1 1 1    8    8   17 o  175.183   4.1235  311.119   12.913 -4.172928 8.246944 
1 1 1    8    8   18 o  121.979   3.4523  141.392   7.9203 -18.12450 6.904664 
1 1 1    8    8   19 o  108.292   3.5368  117.728   7.4246 -0.1320496 7.073657 
1 1 1    8    8   20 o   82.340   4.3166   68.035   6.5433 -0.6143341 8.633300 
1 1 1    8    8   21 o   65.560   7.0032   54.003   7.0276 27.85434 14.00645 
1 1 1    8    8   22 o  152.921   2.9989  235.029   9.1645 0.8172150 5.997710 
1 1 1    8    8   23 o   89.434   3.0917   80.861   5.5015 4.502052 6.183383 
1 1 1    8    8   24 o   35.870   9.1796   11.390   8.4872 -8.134951 18.35922 
1 1 1    8    8   25 o  146.309   6.0662  214.840   14.112 -5.498581 12.13235 
1 1 1    8    8   26 o  116.122   6.2426  138.316   14.259 23.61488 12.48525 
1 1 1    8    8   27 o   69.974   7.0506   51.884   9.6298 -0.1825562 14.10116 
1 1 1    8    8   28 o   44.767   15.254   23.437   16.371      ?      ? 
1 1 1    8    8   29 o  169.501   7.6617  292.760   25.973      ?      ? 
1 1 1    8    9    0 o  126.222   3.9585  160.484   9.9289 0.000000 0.000000 
1 1 1    8    9    1 o  164.767   2.9785  271.088   9.7119 -2.473495 5.957020 
1 1 1    8    9    2 o  131.838   2.7316  173.969   7.2007 -2.949036 5.463139 
1 1 1    8    9    3 o  306.433   4.0083  939.178   24.541 8.181763 8.016694 
1 1 1    8    9    4 o  365.248   5.0344  1335.71   36.329 2.431824 10.06888 
1 1 1    8    9    5 o  115.620   2.9157  133.775   6.7410 0.6498566 5.831316 
1 1 1    8    9    6 o  118.791   2.9828  140.776   7.0685 11.92574 5.965525 
1 1 1    8    9    7 o  228.212   4.4637  521.772   20.372 3.728882 8.927409 
1 1 1    8    9    8 o  196.038   3.7637  386.911   14.571 7.174408 7.527452 
1 1 1    8    9    9 o  328.336   4.2968  1079.41   28.207 -6.228058 8.593596 
1 1 1    8    9   10 o  184.041   4.0732  343.131   14.690 11.68117 8.146455 
1 1 1    8    9   11 f  102.727   5.6597  105.741   11.628      ?      ? 
1 1 1    8    9   13 o  151.606   3.1855  230.236   9.6546 -5.867798 6.371017 
1 1 1    8    9   14 o  105.554   5.7656  119.625   9.8231 -12.85472 11.53115 
1 1 1    8    9   15 o  106.136   3.6211  112.950   7.6855 -0.6010971 7.242154 
1 1 1    8    9   16 o  183.708   3.2697  338.777   11.968 -2.152008 6.539382 
1 1 1    8    9   17 o  129.786   3.5950  169.008   9.2407 -0.2897034 7.190053 
1 1 1    8    9   18 o  128.602   4.8430  172.073   11.619 -12.86587 9.686029 
1 1 1    8    9   19 o   19.359   6.2163 -11.8128   6.4161 8.988746 12.43268 
1 1 1    8    9   20 o   53.126   8.7715   31.307   9.8665 26.17320 17.54305 
1 1 1    8    9   21 o  124.098   3.8584  155.268   9.5479 -13.16327 7.716822 
1 1 1    8    9   22 o  120.370   3.0600  145.462   7.3163 -2.686188 6.119948 
1 1 1    8    9   23 o  124.335   3.0057  154.952   7.4286 -5.810638 6.011412 
1 1 1    8    9   24 f   79.505   3.7364   64.883   5.8588 5.796158 7.472886 
1 1 1    8    9   25 o  150.262   5.2238  226.875   15.699      ?      ? 
1 1 1    8    9   26 o   52.979   8.2746   32.558   9.8471 -38.70082 16.54919 
1 1 1    8    9   27 o   31.465   9.2223   5.6942   9.5338 -1.549789 18.44466 
1 1 1    8    9   28 o  330.201   6.3679  1072.87   40.951 48.96063 12.73574 
1 1 1    8   10    0 o  119.025   4.4144  142.595   10.425 0.000000 0.000000 
1 1 1    8   10    1 o   94.924   3.9706   91.566   7.4151 10.00081 7.941291 
1 1 1    8   10    2 o  113.749   3.5498  130.940   7.9825 10.82285 7.099690 
1 1 1    8   10    3 o  326.097   4.2406  1065.11   27.653 3.197784 8.481182 
1 1 1    8   10    4 o  309.296   4.4316  960.460   27.195 5.352631 8.863245 
1 1 1    8   10    5 o  128.605   3.6162  166.524   9.2487 10.17606 7.232374 
1 1 1    8   10    6 o  194.941   3.5057  379.382   13.643 -8.805161 7.011302 
1 1 1    8   10    7 o   76.238   8.7558   58.364   13.351      ?      ? 
1 1 1    8   10    8 o  233.491   4.0144  544.085   18.709 -17.17924 8.028724 
1 1 1    8   10    9 o  136.226   6.3463  186.067   17.291      ?      ? 
1 1 1    8   10   10 o  157.898   3.6519  245.459   11.194 10.85983 7.303786 
1 1 1    8   10   11 o  136.007   3.9353  182.409   10.272 7.660522 7.870507 
1 1 1    8   10   12 o  176.519   4.5439  311.790   15.994 -5.621902 9.087845 
1 1 1    8   10   13 o  132.245   5.6563  176.248   13.120 87.77326 11.31263 
1 1 1    8   10   14 o  256.386   3.8898  659.083   19.737 -2.159103 7.779644 
1 1 1    8   10   15 o  162.636   3.3082  265.652   10.676 1.846024 6.616305 
1 1 1    8   10   16 o  118.511   3.3562  141.020   7.9260 0.5336761E-01 6.712478 
1 1 1    8   10   17 o   90.782   3.9067   83.108   7.0392 1.997063 7.813424 
1 1 1    8   10   18 o   71.146   6.9851   53.667   9.3241 21.12354 13.97028 
1 1 1    8   10   19 o   68.057   4.9251   48.145   6.5047 8.988140 9.850262 
1 1 1    8   10   20 o  145.896   3.2492  214.121   9.3666 -1.179306 6.498348 
1 1 1    8   10   21 o  136.147   3.4874  187.517   9.3232 1.992828 6.974792 
1 1 1    8   10   22 o   38.477   8.4030   16.044   6.6456 2.515846 16.80597 
1 1 1    8   10   23 o  161.576   3.1980  265.060   10.310 0.1517944 6.395953 
1 1 1    8   10   24 o   92.185   10.576   87.081   19.498      ?      ? 
1 1 1    8   10   25 o   73.782   7.3858   53.841   9.3256 9.326843 14.77153 
1 1 1    8   10   26 o   96.071   4.8527   95.338   8.9438 -0.2851868E-01 9.705404 
1 1 1    8   10   27 o  114.846   4.5344  134.800   10.263 -21.69607 9.068740 
1 1 1    8   11    0 o  125.970   5.8618  162.353   13.928 0.000000 0.000000 
1 1 1    8   11    1 o  156.665   3.7586  239.774   11.256 12.67076 7.517198 
1 1 1    8   11    2 o  247.744   4.0763  614.282   20.181 7.803986 8.152571 
1 1 1    8   11    3 o  170.959   3.3752  293.635   11.463 -5.181808 6.750353 
1 1 1    8   11    4 o  313.763   4.4972  985.657   27.894 2.845062 8.994461 
1 1 1    8   11    5 o   92.834   4.9293   85.255   8.7368 -4.165009 9.858618 
1 1 1    8   11    6 o   36.733   8.1416   12.521   7.1393 -14.69807 16.28314 
1 1 1    8   11    7 o  207.300   3.3895  430.285   14.049 -6.322037 6.779015 
1 1 1    8   11    8 o  104.131   5.3320  109.258   10.656 1.130058 10.66409 
1 1 1    8   11    9 o  220.619   5.9266  488.081   26.151      ?      ? 
1 1 1    8   11   10 o   98.454   4.0611   97.517   7.9725 7.481575 8.122217 
1 1 1    8   11   11 o  188.383   3.5770  355.274   13.165 1.586166 7.154040 
1 1 1    8   11   12 o  132.703   3.7761  175.013   9.7054 5.097565 7.552186 
1 1 1    8   11   13 o   90.995   4.1431   83.230   7.5384 1.458092 8.286250 
1 1 1    8   11   14 o   97.885   4.0082   96.195   7.8398 4.405655 8.016418 
1 1 1    8   11   15 o   78.704   4.5220   62.818   7.0644 5.197968 9.044086 
1 1 1    8   11   16 o  100.608   4.6276  101.694   9.2905 9.551903 9.255271 
1 1 1    8   11   17 o  134.137   3.2329  181.305   8.6471 2.480652 6.465783 
1 1 1    8   11   18 o   86.403   4.4326   75.898   7.3059 1.547379 8.865290 
1 1 1    8   11   19 o  105.704   4.0894  112.709   8.5975 -3.033989 8.178761 
1 1 1    8   11   20 o   68.740   5.5972   49.501   7.2277 4.994835 11.19449 
1 1 1    8   11   21 o   31.340   8.5175   7.8909   7.2718 -1.756037 17.03495 
1 1 1    8   11   22 o   95.681   5.9110   81.879   9.5211 -21.28222 11.82193 
1 1 1    8   11   23 o   23.301   8.1744 -24.4722   9.0423 -17.91252 16.34888 
1 1 1    8   11   24 o   94.690   4.9700   93.142   8.8402 1.956108 9.940058 
1 1 1    8   11   25 o   45.709   8.6635   27.515   7.9478 7.729958 17.32708 
1 1 1    8   11   26 o   60.229   8.2802   45.139   9.1023 27.29991 16.56038 
1 1 1    8   12    0 o   13.792   7.2108 -44.7142   12.598 0.000000 0.000000 
1 1 1    8   12    1 o  170.041   4.7148  290.221   16.033 0.6117554 9.429675 
1 1 1    8   12    2 o  287.852   5.0950  835.073   28.920 6.506470 10.18995 
1 1 1    8   12    3 o  175.052   4.7633  305.531   16.492 7.313904 9.526515 
1 1 1    8   12    4 o  241.067   4.5833  584.306   21.798 3.323273 9.166615 
1 1 1    8   12    5 o  240.273   3.8079  575.345   17.974 7.285843 7.615851 
1 1 1    8   12    6 o   79.272   5.4315   63.396   8.5872 -5.785202 10.86291 
1 1 1    8   12    7 o  255.454   3.6239  654.386   18.510 3.102829 7.247746 
1 1 1    8   12    8 o  183.264   3.2127  336.727   11.774 -3.840973 6.425471 
1 1 1    8   12    9 o  119.276   3.4802  142.743   8.3013 0.5138855 6.960414 
1 1 1    8   12   10 o  115.783   3.5737  134.555   8.2749 1.690720 7.147340 
1 1 1    8   12   11 o  148.032   3.1790  219.928   9.4111 0.2060394 6.357934 
1 1 1    8   12   12 o   64.806   5.9867   41.463   7.6091 -7.568459 11.97347 
1 1 1    8   12   13 o  100.942   4.7350  102.384   8.9565 -0.9077454 9.469953 
1 1 1    8   12   14 o   55.495   6.7333   31.811   7.3084 -4.086571 13.46651 
1 1 1    8   12   15 o   65.309   6.1562   44.023   7.7847 -2.813953 12.31242 
1 1 1    8   12   16 o  116.380   4.2428  137.667   9.8061 -5.831184 8.485664 
1 1 1    8   12   17 o   57.693   8.6711   35.842   9.6936 -10.24461 17.34217 
1 1 1    8   12   18 o  126.008   3.5143  160.427   8.8566 -0.9821320 7.028669 
1 1 1    8   12   19 o   59.166   6.3501   36.374   7.5104 -1.247715 12.70020 
1 1 1    8   12   20 o   68.028   6.7977   51.233   8.4766 29.43708 13.59547 
1 1 1    8   12   21 o   96.691   9.5383   95.149   18.446      ?      ? 
1 1 1    8   12   22 o   41.862   8.4602   18.156   8.2961 22.67430 16.92035 
1 1 1    8   12   23 o   62.737   6.3735   41.540   7.9614 6.243912 12.74705 
1 1 1    8   12   24 o   52.671   9.0704   36.308   11.960 -38.28806 18.14077 
1 1 1    8   13    0 o  125.308   4.8453  159.610   12.010 0.000000 0.000000 
1 1 1    8   13    1 o   96.919   4.8144   92.570   9.1791 -24.69771 9.628736 
1 1 1    8   13    2 o   80.002   6.0492   65.083   8.6169 -1.585045 12.09836 
1 1 1    8   13    3 o   96.241   6.1793   93.321   11.864 9.692902 12.35860 
1 1 1    8   13    4 f  111.193   3.5345  124.059   7.8584 -0.1176453E-01 7.069088 
1 1 1    8   13    5 o   33.190   8.4897   9.3852   7.2172 1.288658 16.97948 
1 1 1    8   13    6 o  229.907   3.4239  530.272   15.730 3.308472 6.847829 
1 1 1    8   13    7 o  147.565   3.1709  218.593   9.3531 -1.163345 6.341851 
1 1 1    8   13    8 o   44.668   7.6007   21.137   6.7178 -4.100243 15.20150 
1 1 1    8   13    9 o   25.634   7.5047   0.2254   6.6943 7.930717 15.00947 
1 1 1    8   13   10 o  115.959   3.4661  134.774   8.0291 -7.418365 6.932279 
1 1 1    8   13   11 o  111.455   3.9979  122.823   8.8262 -14.13165 7.995791 
1 1 1    8   13   12 o  240.523   3.5193  582.838   16.929 -0.4369507 7.038598 
1 1 1    8   13   13 o   37.087   8.4958   14.115   7.1136 1.608147 16.99162 
1 1 1    8   13   14 o  103.696   4.3156  109.809   8.8771 10.38364 8.631280 
1 1 1    8   13   15 o  136.791   4.3118  197.096   10.956 -16.81537 8.623664 
1 1 1    8   13   16 o   33.166   9.1554   8.1543   8.7964 1.321064 18.31076 
1 1 1    8   13   17 o   55.594   8.8474   35.456   9.8535 -18.74221 17.69480 
1 1 1    8   13   18 o   52.617   7.7318   30.854   7.8525 -4.391891 15.46354 
1 1 1    8   13   19 o  175.860   6.1486  202.335   16.604 164.9154 12.29721 
1 1 1    8   13   20 o   32.871   9.1208   7.8837   9.2927 -8.432278 18.24169 
1 1 1    8   13   21 o   49.491   9.1585   28.818   9.1587 -6.488945 18.31708 
1 1 1    8   13   22 o   27.245   8.5448   8.1080   9.1236 2.431311 17.08958 
1 1 1    8   13   23 o   49.305   8.9380   27.444   8.9920 11.52353 17.87594 
1 1 1    8   14    0 o   86.506   6.7094   75.680   11.148 0.000000 0.000000 
1 1 1    8   14    1 o   77.199   4.5388   60.135   6.9876 -7.363770 9.077534 
1 1 1    8   14    2 o  189.817   3.1982  361.725   12.140 2.368546 6.396357 
1 1 1    8   14    3 o   73.860   5.7582   53.804   8.1111 -6.212807 11.51647 
1 1 1    8   14    4 o   35.888   8.7270   10.936   7.6326 -11.61945 17.45391 
1 1 1    8   14    5 o   70.281   5.2126   49.836   7.3166 0.6444168 10.42527 
1 1 1    8   14    6 o   96.081   5.3720   93.708   9.9620 -1.979622 10.74406 
1 1 1    8   14    7 o  161.924   3.6416  265.492   11.469 -4.873840 7.283159 
1 1 1    8   14    8 o  102.214   3.7976  105.416   7.7578 -4.881729 7.595204 
1 1 1    8   14    9 o   31.973   8.0429   8.8604   6.6123 -7.473112 16.08582 
1 1 1    8   14   10 o   67.114   5.7503   45.930   7.6878 -0.9794769 11.50055 
1 1 1    8   14   11 o   73.011   5.0388   54.052   7.3313 3.405174 10.07766 
1 1 1    8   14   12 o  124.776   3.7652  158.353   9.2567 -5.561333 7.530442 
1 1 1    8   14   13 o   37.048   8.6643   13.514   7.6305 10.04811 17.32859 
1 1 1    8   14   14 o   54.524   8.5768   33.471   9.1255 -11.37925 17.15359 
1 1 1    8   14   15 o   50.320   8.4947   28.177   8.4733 8.886185 16.98947 
1 1 1    8   14   16 o   20.390   7.0143 -22.5658   8.7855 -7.134819 14.02857 
1 1 1    8   14   17 o   36.972   14.888   7.6114   16.915      ?      ? 
1 1 1    8   14   18 o   38.519   8.9109   15.165   8.3518 -13.75057 17.82180 
1 1 1    8   14   19 o   52.598   8.0647   30.500   8.2338 13.77920 16.12944 
1 1 1    8   14   20 o   59.117   7.8962   42.594   8.9839 4.172058 15.79232 
1 1 1    8   14   21 o   77.601   10.349   61.940   16.062      ?      ? 
1 1 1    8   15    0 o  101.440   5.0961  105.393   10.215 0.000000 0.000000 
1 1 1    8   15    1 o  112.012   3.3786  126.307   7.5688 0.1501999 6.757192 
1 1 1    8   15    2 o  122.332   3.5019  150.067   8.5240 5.110603 7.003853 
1 1 1    8   15    3 o   30.571   8.1438   6.3137   6.9649 9.386488 16.28759 
1 1 1    8   15    4 o   38.092   8.2085   15.360   6.9167 -5.968685 16.41692 
1 1 1    8   15    5 o   68.717   6.0043   49.493   8.0522 10.92189 12.00865 
1 1 1    8   15    6 o   43.765   8.4980   20.235   7.5137 -5.916428 16.99592 
1 1 1    8   15    7 o   38.190   9.4974   11.301   8.4200 -15.92212 18.99488 
1 1 1    8   15    8 o   87.888   5.4662   80.566   9.0776 6.518333 10.93231 
1 1 1    8   15    9 o   41.638   8.8141   18.026   8.3031 -15.13676 17.62813 
1 1 1    8   15   10 o   37.089   9.0708   13.911   8.4699 -7.697723 18.14165 
1 1 1    8   15   11 o   54.168   8.4012   33.071   8.7247 -9.521767 16.80238 
1 1 1    8   15   12 o   40.006   9.4304   17.676   8.8811 -5.103333 18.86088 
1 1 1    8   15   15 o   20.674   7.0465 -14.3940   8.6846 0.6772041E-01 14.09302 
1 1 1    8   15   16 o   88.641   5.5070   82.096   9.7583 -3.320877 11.01394 
1 1 1    8   15   17 o   91.694   5.3731   86.933   9.7931 -10.55099 10.74613 
1 1 1    8   15   19 o   48.562   8.4585   24.305   9.4060 30.98508 16.91707 
1 1 1    8   16    0 o   23.662   10.655   3.2672   10.755 0.000000 0.000000 
1 1 1    8   16    1 f   36.121   8.3053   13.207   7.3763 12.30503 16.61065 
1 1 1    8   16    2 o   62.588   7.5438   39.681   8.6217 -6.771286 15.08763 
1 1 1    8   16    3 o   59.286   7.6579   37.388   8.8111 0.1091995 15.31578 
1 1 1    8   16    4 o   77.108   5.3841   60.719   8.2765 -4.335632 10.76815 
1 1 1    8   16    5 o   27.469   8.1731   2.1071   7.6232 -0.9540520 16.34621 
1 1 1    8   16    6 f   63.763   6.4034   42.826   8.0625 7.868763 12.80678 
1 1 1    8   16    7 o   60.966   6.7145   38.945   8.1521 -2.243370 13.42909 
1 1 1    8   16    8 o   93.489   4.8749   90.717   9.0793 4.698227 9.749784 
1 1 1    8   16    9 o   23.167   11.206 -24.5789   15.928      ?      ? 
1 1 1    8   16   10 o  173.892   6.6875  304.783   23.258      ?      ? 
1 1 1    8   16   12 o   75.639   6.7716   59.407   10.134 -7.605392 13.54325 
1 1 1    8   16   13 o   81.526   5.9244   69.803   9.6323 -1.486496 11.84874 
1 1 1    8   16   14 o   50.901   9.6217   29.192   9.8349 -13.19143 19.24333 
1 1 1    8   16   15 o   24.342   8.2470   20.160   11.309 1.022301 16.49400 
1 1 1    8   16   16 o   40.840   10.691   14.245   11.787 -5.443531 21.38192 
1 1 1    8   17    0 o  159.925   5.3974  260.962   16.909 0.000000 0.000000 
1 1 1    8   17    2 o  105.804   7.5398  113.127   15.955      ?      ? 
1 1 1    8   17    3 o   83.988   8.2408   76.669   12.631 35.01210 16.48159 
1 1 1    8   17    4 o   53.353   9.2000   31.885   11.157 -32.16852 18.39991 
1 1 1    8   17    5 o   32.312   8.7854   9.5239   9.0432 -13.48530 17.57081 
1 1 1    8   17    6 o   84.291   6.0306   74.633   9.9671 -6.419128 12.06112 
1 1 1    8   17    7 o   33.058   9.2976   7.1330   9.3236 7.553776 18.59513 
1 1 1    8   17    8 o   38.487   10.029   15.177   10.502 7.560364 20.05853 
1 1 1    8   17    9 o   79.492   6.3895   66.023   10.023 18.29896 12.77898 
1 1 1    8   17   10 o   73.573   6.9030   57.788   10.119 6.714424 13.80597 
1 1 1    8   17   11 o   31.766   9.1419   8.4101   9.7013 12.03474 18.28383 
1 1 1    8   17   12 o   40.763   11.149   11.640   11.436 14.09180 22.29850 
1 1 1    8   17   13 o   98.684   8.8925  100.693   17.551      ?      ? 
1 1 1    8   18    0 o   41.215   14.408   23.752   14.041 0.000000 0.000000 
1 1 1    8   18    1 o   38.761   9.5118   15.922   9.1388 -8.660126 19.02355 
1 1 1    8   18    2 o   32.832   9.6080   6.6153   10.139 -2.892427 19.21600 
1 1 1    8   18    3 o   42.938   10.396   21.719   10.722 0.1528778 20.79145 
1 1 1    8   18    4 o   39.502   9.7776   20.870   10.559 16.52319 19.55521 
1 1 1    8   18    6 o   24.063   8.2917 -26.8257   12.646 0.5604191 16.58339 
1 1 1    8   18    7 o   62.476   11.580   43.260   14.689 6.186977 23.15927 
1 1 1    8   18    8 o   31.932   9.5943   0.5352   10.562 -10.27571 19.18869 
1 1 1    9    0    1 o   14.459   6.5321   0.7733   3.9407 0.000000 0.000000 
1 1 1    9    0    2 o   94.890   2.6915   90.103   5.0783 0.000000 0.000000 
1 1 1    9    0    3 o  396.842   7.0116  1580.54   55.566 0.000000 0.000000 
1 1 1    9    0    4 o   93.794   3.3621   89.345   6.0381 0.000000 0.000000 
1 1 1    9    0    5 o  223.757   5.8809  502.121   26.278 0.000000 0.000000 
1 1 1    9    0    6 o  343.492   7.5096  1184.47   48.454 0.000000 0.000000 
1 1 1    9    0    7 o  440.225   8.9798  1970.07   69.188 0.000000 0.000000 
1 1 1    9    0    8 o  354.070   7.2476  1270.43   44.931 0.000000 0.000000 
1 1 1    9    0    9 o  220.394   5.0000  486.655   20.759 0.000000 0.000000 
1 1 1    9    0   10 o  260.651   4.7668  681.895   24.809 0.000000 0.000000 
1 1 1    9    0   11 o  587.414   10.398  3481.48  121.752 0.000000 0.000000 
1 1 1    9    0   12 f  500.604   8.8548  2522.85   88.464 0.000000 0.000000 
1 1 1    9    0   13 o  203.082   5.4968  413.945   22.210 0.000000 0.000000 
1 1 1    9    0   15 o  321.550   5.8327  1035.17   37.389 0.000000 0.000000 
1 1 1    9    0   16 o   35.573   9.6583   15.998   9.2038 0.000000 0.000000 
1 1 1    9    0   17 o   16.322   8.4072 -25.9802   9.7485 0.000000 0.000000 
1 1 1    9    0   18 o  219.194   5.7041  486.848   23.281 0.000000 0.000000 
1 1 1    9    0   19 o  340.522   9.1020  1157.43   61.296 0.000000 0.000000 
1 1 1    9    0   20 o   58.082   12.370   39.196   11.848 0.000000 0.000000 
1 1 1    9    0   21 o   76.333   10.348   71.582   11.609 0.000000 0.000000 
1 1 1    9    0   22 o  197.111   4.3556  387.876   17.065 0.000000 0.000000 
1 1 1    9    0   23 o  242.009   6.2487  572.280   26.813 0.000000 0.000000 
1 1 1    9    0   24 o  221.454   6.1187  458.153   22.978 0.000000 0.000000 
1 1 1    9    0   25 o  352.090   8.2906  1231.22   52.660 0.000000 0.000000 
1 1 1    9    0   26 o  115.052   4.8319  134.569   11.015 0.000000 0.000000 
1 1 1    9    0   27 o   19.070   9.2443 -20.1982   10.234 0.000000 0.000000 
1 1 1    9    0   28 o  107.477   6.0644  110.006   12.104 0.000000 0.000000 
1 1 1    9    0   30 o   43.296   12.489   32.450   13.006 0.000000 0.000000 
1 1 1    9    0   31 f   63.328   7.4189   44.210   8.6871 0.000000 0.000000 
1 1 1    9    0   32 o   20.155   9.8297  -7.9622   12.128 0.000000 0.000000 
1 1 1    9    1    0 o  490.880   10.612  2426.95   98.028 0.000000 0.000000 
1 1 1    9    1    1 o  484.192   6.5096  2338.92   61.943 -13.41409 13.01929 
1 1 1    9    1    2 o  402.140   5.7899  1620.98   46.561 4.032623 11.57970 
1 1 1    9    1    3 o  215.430   3.4632  461.804   13.943 -3.475388 6.926398 
1 1 1    9    1    4 o  458.491   6.9862  2115.45   60.549 3.592621 13.97248 
1 1 1    9    1    5 o  249.321   3.1986  622.250   15.949 -0.7461395 6.397199 
1 1 1    9    1    6 o  184.913   2.7239  341.532   9.9299 -2.351135 5.447731 
1 1 1    9    1    7 o  190.498   2.5802  363.286   9.8304 0.2999725 5.160408 
1 1 1    9    1    8 o  247.985   3.4498  614.669   16.888 3.563461 6.899616 
1 1 1    9    1    9 o  351.465   4.5552  1242.37   31.097 -3.009918 9.110425 
1 1 1    9    1   10 o  200.309   2.8056  397.046   10.748 7.759186 5.611238 
1 1 1    9    1   11 o  523.774   6.7624  2756.53   68.254 5.621216 13.52485 
1 1 1    9    1   12 o  342.813   4.9955  1178.80   34.238 -5.136597 9.990934 
1 1 1    9    1   13 o  155.452   2.7989  241.525   8.6949 5.963150 5.597816 
1 1 1    9    1   14 o  244.436   3.4858  599.909   16.980 -10.27519 6.971649 
1 1 1    9    1   15 o  185.343   3.4183  342.910   12.628 -21.61569 6.836683 
1 1 1    9    1   16 o  210.263   3.4615  442.599   14.552 -0.5896149 6.923039 
1 1 1    9    1   17 o  216.557   3.5236  469.551   15.260 -0.1396179E-01 7.047172 
1 1 1    9    1   18 o  298.727   4.2450  892.255   25.066 3.693024 8.489998 
1 1 1    9    1   19 o  555.131   11.475  3108.40  127.407      ?      ? 
1 1 1    9    1   20 o  204.542   3.2251  422.101   12.885 -7.165833 6.450231 
1 1 1    9    1   21 o  136.738   3.4026  182.342   8.6191 9.416748 6.805113 
1 1 1    9    1   22 o  101.692   3.5373  106.817   6.9206 -13.14852 7.074643 
1 1 1    9    1   23 o  164.563   3.5385  277.917   10.559 -9.076721 7.076905 
1 1 1    9    1   24 o  120.941   3.8066  147.174   9.1199 0.2283249 7.613271 
1 1 1    9    1   25 f  161.409   3.2598  262.829   10.490 -9.827301 6.519643 
1 1 1    9    1   26 f   23.078   7.4009  -6.3549   7.6123 3.484795 14.80180 
1 1 1    9    1   27 o   67.676   5.8437   47.941   7.7400 13.53081 11.68742 
1 1 1    9    1   28 o  100.523   5.5934  104.251   11.242 -0.2632065 11.18677 
1 1 1    9    1   30 o   89.008   6.0753   82.531   10.639 1.103607 12.15055 
1 1 1    9    1   31 o  105.125   6.8557  106.293   8.6177 8.676315 13.71141 
1 1 1    9    2    0 o  257.435   4.6682  664.527   23.998 0.000000 0.000000 
1 1 1    9    2    1 o   92.905   2.8027   84.323   5.1456 -16.84586 5.605421 
1 1 1    9    2    2 o  288.625   3.6523  833.776   21.079 3.267090 7.304602 
1 1 1    9    2    3 o  231.919   3.0011  537.987   13.913 4.045547 6.002145 
1 1 1    9    2    4 o   94.985   2.3556   89.896   4.4572 4.206841 4.711199 
1 1 1    9    2    5 o   65.480   2.5313   41.816   3.1417 5.058884 5.062532 
1 1 1    9    2    6 o  131.069   2.1854  172.944   5.5245 -3.024338 4.370759 
1 1 1    9    2    7 o  228.439   3.0928  521.611   13.599 1.528412 6.185505 
1 1 1    9    2    8 o  100.626   2.6167  100.019   4.4296 2.426346 5.233469 
1 1 1    9    2    9 o  286.959   3.7836  825.840   20.986 -0.6682434 7.567175 
1 1 1    9    2   10 o  193.752   2.8897  376.481   11.071 -2.032440 5.779427 
1 1 1    9    2   11 o   83.361   2.9469   68.095   4.8543 11.86301 5.893814 
1 1 1    9    2   12 o  255.394   3.5931  651.433   18.105 4.293015 7.186205 
1 1 1    9    2   13 o  232.557   3.6024  540.979   16.732 -4.863831 7.204744 
1 1 1    9    2   14 o  167.951   3.6206  282.254   12.162      ?      ? 
1 1 1    9    2   15 o  371.541   4.8357  1385.46   34.919 -2.632629 9.671461 
1 1 1    9    2   16 o  362.570   4.7559  1310.16   33.193 7.211670 9.511850 
1 1 1    9    2   17 o  181.513   3.3120  328.155   11.421 2.852066 6.624068 
1 1 1    9    2   18 o  188.642   4.0044  360.373   14.915 -31.91057 8.008740 
1 1 1    9    2   19 o  109.102   5.9945  119.319   13.080      ?      ? 
1 1 1    9    2   20 o  333.478   4.4298  1123.61   28.957 -12.54880 8.859620 
1 1 1    9    2   21 o  399.786   5.2603  1605.76   40.660 1.367584 10.52062 
1 1 1    9    2   22 o  303.409   4.1172  926.919   24.299 -3.337433 8.234450 
1 1 1    9    2   23 o   85.976   3.5063   75.282   5.9436 -10.73406 7.012558 
1 1 1    9    2   24 o  172.735   3.2109  299.549   11.087 0.3657074 6.421748 
1 1 1    9    2   25 o  234.393   3.5635  555.589   16.644 -13.54776 7.127034 
1 1 1    9    2   26 o  145.728   3.3013  218.258   9.4194 -19.99773 6.602564 
1 1 1    9    2   27 o   63.165   7.4648   40.840   9.4303      ?      ? 
1 1 1    9    2   28 o   32.959   8.1049   10.688   6.4879 2.488108 16.20989 
1 1 1    9    2   29 o  125.782   4.0905  157.259   9.9898 5.913292 8.181007 
1 1 1    9    2   30 o   38.099   8.4687   14.507   6.8430 11.66288 16.93736 
1 1 1    9    2   31 o   44.091   7.9807   25.233   6.8167 -4.530273 15.96148 
1 1 1    9    3    0 o  173.543   4.1598  306.245   13.884 0.000000 0.000000 
1 1 1    9    3    1 o  486.251   6.0426  2372.94   58.759 4.153748 12.08520 
1 1 1    9    3    2 f  306.680   4.1868  941.525   25.384 -1.685059 8.373550 
1 1 1    9    3    3 o  267.241   3.6884  715.543   19.511 -0.3629456 7.376806 
1 1 1    9    3    4 f  299.333   3.7970  897.563   22.721 4.730713 7.593950 
1 1 1    9    3    5 o  140.366   3.0962  183.839   8.3121 32.49758 6.192342 
1 1 1    9    3    6 o  223.816   2.9331  501.516   13.128 -2.522064 5.866107 
1 1 1    9    3    7 o   26.790   5.6724   7.2555   3.2648 -1.502756 11.34477 
1 1 1    9    3    8 o   72.787   2.9161   52.780   4.1940 2.373398 5.832230 
1 1 1    9    3    9 o  221.705   3.0479  492.761   13.028 -0.9373474 6.095819 
1 1 1    9    3   10 f  222.798   3.2012  499.160   14.127 -6.398163 6.402408 
1 1 1    9    3   11 o  357.899   4.8755  1287.71   34.614 -6.157013 9.751069 
1 1 1    9    3   12 o  370.960   5.5341  1386.25   37.161 -3.735779 11.06815 
1 1 1    9    3   13 o  382.046   5.8796  1477.55   42.810 -11.93619 11.75927 
1 1 1    9    3   14 o  351.630   5.1750  1238.90   36.385 -6.938446 10.34993 
1 1 1    9    3   15 o  516.188   7.4652  2667.51   76.810 25.22150 14.93049 
1 1 1    9    3   16 o  364.540   5.7182  1331.45   39.286 1.084412 11.43632 
1 1 1    9    3   17 o  152.300   3.8699  236.831   11.515 -17.39519 7.739860 
1 1 1    9    3   18 o  255.435   4.4073  643.933   20.909 10.31087 8.814686 
1 1 1    9    3   19 f   97.594   4.9597   91.248   9.2960 15.20328 9.919458 
1 1 1    9    3   20 o  170.435   5.9263  291.289   20.201      ?      ? 
1 1 1    9    3   21 o  326.987   5.2843  1081.07   32.734 -5.259705 10.56859 
1 1 1    9    3   22 o  225.392   4.1449  514.482   17.645 -5.905167 8.289708 
1 1 1    9    3   23 o  110.257   4.9214  129.690   10.174 -24.67228 9.842733 
1 1 1    9    3   24 o  211.882   4.1170  462.724   16.839 -23.68649 8.233988 
1 1 1    9    3   25 o   80.728   7.5701   63.273   10.181 7.542862 15.14016 
1 1 1    9    3   26 f  182.262   5.1471  335.359   18.762      ?      ? 
1 1 1    9    3   27 f   84.210   5.9772   73.640   8.6549 -2.561630 11.95433 
1 1 1    9    3   28 f  121.238   3.0992  148.109   7.3913 -3.892807 6.198387 
1 1 1    9    3   29 o   25.125   11.547  -8.4119   13.363      ?      ? 
1 1 1    9    3   30 o   37.298   9.4211   14.487   8.8547 1.585190 18.84222 
1 1 1    9    4    0 o  297.002   5.3361  885.843   31.651 0.000000 0.000000 
1 1 1    9    4    1 o  138.228   2.1712  191.030   5.9994 4.472122 4.342410 
1 1 1    9    4    2 o   96.494   2.7514   94.877   5.2142 -13.05065 5.502835 
1 1 1    9    4    3 o  122.725   2.3211  150.819   5.6389 0.4556503 4.642221 
1 1 1    9    4    4 o   62.638   3.1067   39.274   3.8245 -0.1639595 6.213475 
1 1 1    9    4    5 o  129.389   2.1494  167.542   5.5618 0.5933838 4.298735 
1 1 1    9    4    6 o  162.171   2.5831  263.814   8.2816 -2.053314 5.166154 
1 1 1    9    4    7 o   58.273   3.0413   33.967   3.5325 6.609825 6.082576 
1 1 1    9    4    8 o  135.617   2.4018  183.090   6.4392 -4.660934 4.803596 
1 1 1    9    4    9 o  148.663   2.4925  221.680   7.3483 -2.275650 4.985034 
1 1 1    9    4   10 o  212.501   3.1166  453.613   13.175 -7.515472 6.233244 
1 1 1    9    4   11 o  206.300   3.0590  427.879   12.551 -9.853806 6.118084 
1 1 1    9    4   12 o  187.273   3.1155  343.177   11.400 18.66779 6.230932 
1 1 1    9    4   13 o  404.081   5.4982  1632.30   43.739 6.809753 10.99639 
1 1 1    9    4   14 o  240.684   4.2936  568.913   19.994 -17.77261 8.587223 
1 1 1    9    4   15 o  457.956   6.6548  2104.77   60.908 10.10147 13.30955 
1 1 1    9    4   16 o   91.529   4.8795   85.415   8.5190 -5.609276 9.758959 
1 1 1    9    4   17 o  348.497   8.9533  1220.06   62.404      ?      ? 
1 1 1    9    4   18 o   64.487   8.0557   45.387   9.7088 -32.84689 16.11140 
1 1 1    9    4   19 o  202.937   4.0524  418.826   15.483 -8.935135 8.104874 
1 1 1    9    4   20 o  224.956   5.2578  521.404   19.654 -10.83095 10.51567 
1 1 1    9    4   21 o  162.036   4.9593  276.361   13.304 -14.12762 9.918606 
1 1 1    9    4   22 o  104.534   4.9678  111.826   9.7991 -5.150093 9.935613 
1 1 1    9    4   23 o  100.004   5.1327   98.908   9.8404 7.092476 10.26536 
1 1 1    9    4   24 o  103.375   7.9650  127.547   11.845 -27.20734 15.92995 
1 1 1    9    4   25 o   51.503   8.4459   30.489   8.8437 -20.35218 16.89174 
1 1 1    9    4   26 o  134.181   4.1597  187.116   10.443 -11.19952 8.319457 
1 1 1    9    4   27 o  136.842   4.6105  195.333   10.743 -7.498230 9.221083 
1 1 1    9    4   28 o   33.769   9.5110   4.7238   10.314 10.98714 19.02194 
1 1 1    9    4   29 o   80.337   5.7968   66.800   8.7783 3.194542 11.59360 
1 1 1    9    4   30 o   97.841   4.9150   98.599   9.1527 1.644730 9.830067 
1 1 1    9    4   31 o  136.126   6.5093  187.185   17.722      ?      ? 
1 1 1    9    5    0 o  130.467   3.1339  170.955   8.1567 0.000000 0.000000 
1 1 1    9    5    1 o  252.775   3.2761  639.915   16.556 4.200882 6.552105 
1 1 1    9    5    2 o  241.048   3.1501  582.081   15.186 -1.782867 6.300257 
1 1 1    9    5    3 o  220.415   2.9288  486.454   12.908 3.281021 5.857564 
1 1 1    9    5    4 o  267.381   3.4420  716.179   18.402 3.822723 6.883963 
1 1 1    9    5    5 o  219.622   3.1782  482.301   13.773 -2.207047 6.356321 
1 1 1    9    5    6 o  101.252   2.9125  101.043   5.4667 -4.136688 5.825050 
1 1 1    9    5    7 o  142.866   2.5045  205.014   7.1103 4.633087 5.008929 
1 1 1    9    5    8 o  321.395   4.7347  1036.04   30.414 6.111206 9.469310 
1 1 1    9    5    9 o  286.248   4.7927  825.587   27.041 -8.591949 9.585443 
1 1 1    9    5   10 o  255.458   4.8765  594.428   23.396 -67.56261 9.753076 
1 1 1    9    5   11 o  226.600   3.5239  514.096   15.970 -0.2815094 7.047744 
1 1 1    9    5   12 o  198.294   2.8369  393.148   11.241 3.854401 5.673773 
1 1 1    9    5   13 o  310.083   4.3046  959.029   26.270 7.226501 8.609293 
1 1 1    9    5   14 o  344.941   5.3871  1180.85   34.594 9.418121 10.77417 
1 1 1    9    5   15 o  144.796   4.5739  182.401   9.0055 26.19237 9.147747 
1 1 1    9    5   16 o  254.872   10.359  653.286   52.806      ?      ? 
1 1 1    9    5   18 o  226.998   4.4011  516.783   19.572 -0.2047424 8.802201 
1 1 1    9    5   19 o  202.420   5.3708  410.710   21.743      ?      ? 
1 1 1    9    5   20 f  211.764   5.3360  421.634   19.018 -25.09035 10.67192 
1 1 1    9    5   21 o   89.744   4.8566   81.869   8.6285 -12.17777 9.713133 
1 1 1    9    5   22 o  186.702   5.4048  351.118   15.100 -0.5517578 10.80962 
1 1 1    9    5   23 o  135.580   4.3140  178.829   11.209 15.01332 8.628044 
1 1 1    9    5   24 o  144.161   3.9917  210.911   10.766 -2.763657 7.983402 
1 1 1    9    5   25 o   94.700   5.0747   95.755   8.8313 -13.83549 10.14943 
1 1 1    9    5   26 f   81.528   6.4273   71.181   10.070 -14.89626 12.85463 
1 1 1    9    5   27 o   45.921   8.1211   26.917   7.8296 -21.61852 16.24219 
1 1 1    9    5   29 o   54.111   8.0989   30.675   7.9395 10.13367 16.19780 
1 1 1    9    5   30 o   30.973   8.4706   15.035   7.7646 -6.099960 16.94129 
1 1 1    9    6    0 o  198.292   4.6956  399.784   17.872 0.000000 0.000000 
1 1 1    9    6    1 o  133.850   4.4522  179.445   11.919      ?      ? 
1 1 1    9    6    2 f  127.000   3.1125  161.546   7.9058 0.4033890 6.225066 
1 1 1    9    6    3 o   91.967   3.2910   84.812   6.0478 3.641800 6.582088 
1 1 1    9    6    4 o  215.723   3.7689  463.370   15.797 -5.977417 7.537754 
1 1 1    9    6    5 o  236.966   3.6289  562.537   17.192 4.912201 7.257798 
1 1 1    9    6    6 o  117.171   2.9877  137.185   6.8777 1.264526 5.975379 
1 1 1    9    6    7 o  211.313   4.1326  446.997   17.465      ?      ? 
1 1 1    9    6    8 o  233.826   3.4245  546.599   15.812 -2.435654 6.848952 
1 1 1    9    6    9 o  169.520   3.3162  289.812   11.109 9.213135 6.632423 
1 1 1    9    6   10 o  288.676   4.0808  837.692   23.382 -9.345337 8.161516 
1 1 1    9    6   11 f  196.439   5.6388  386.425   22.154      ?      ? 
1 1 1    9    6   12 o  166.517   3.0376  277.322   10.108 -2.858810 6.075142 
1 1 1    9    6   13 o  188.773   3.2417  356.592   12.237 4.356979 6.483444 
1 1 1    9    6   14 o  236.893   3.5234  563.375   16.618 7.667603 7.046782 
1 1 1    9    6   15 o  406.739   7.2679  1663.75   59.118 -1.951263 14.53578 
1 1 1    9    6   16 o  241.777   6.5343  586.205   31.597      ?      ? 
1 1 1    9    6   17 f  424.133   5.3786  1807.10   45.619 4.332001 10.75721 
1 1 1    9    6   18 o  115.612   4.5268  132.706   10.374 -8.527481 9.053667 
1 1 1    9    6   19 o   64.312   6.5376   42.186   8.3267 -7.517078 13.07528 
1 1 1    9    6   20 f  124.397   4.6526  160.554   10.918 -13.24654 9.305147 
1 1 1    9    6   21 o   77.518   5.5051   62.124   8.3253 -16.33929 11.01022 
1 1 1    9    6   22 o   99.501   4.5572  100.653   8.9854 -10.15545 9.114415 
1 1 1    9    6   23 f  174.072   3.6645  305.722   12.741 -10.56178 7.328994 
1 1 1    9    6   24 o  105.673   4.8850  115.297   9.8353 -6.333870 9.770044 
1 1 1    9    6   25 o   42.245   9.2383   16.866   7.9616 13.27042 18.47658 
1 1 1    9    6   26 o   47.771   8.9367   25.496   8.1445 -2.103317 17.87335 
1 1 1    9    6   27 o   49.327   7.7669   12.187   11.741 54.55543 15.53383 
1 1 1    9    6   28 o   79.609   6.8490   61.152   9.0131 10.94066 13.69793 
1 1 1    9    6   29 o   53.382   8.3189   27.521   7.8266 19.68184 16.63773 
1 1 1    9    6   30 o  178.948   9.0722  326.471   32.469      ?      ? 
1 1 1    9    7    0 o  152.454   4.9572  233.921   15.020 0.000000 0.000000 
1 1 1    9    7    1 o  398.792   6.4899  1597.85   50.639 -1.473816 12.97977 
1 1 1    9    7    2 o  114.235   4.2887  133.110   8.1929 3.850609 8.577416 
1 1 1    9    7    3 o  173.923   3.6893  278.677   12.218 46.08582 7.378650 
1 1 1    9    7    4 o  225.338   3.9249  510.262   17.420 -4.096146 7.849734 
1 1 1    9    7    5 o  102.444   2.9802  105.208   6.0957 2.999458 5.960493 
1 1 1    9    7    6 o  153.371   2.7303  233.714   8.2922 7.505753 5.460636 
1 1 1    9    7    7 o  377.968   5.1558  1430.71   38.519 2.543457 10.31166 
1 1 1    9    7    8 o  360.622   4.9413  1303.77   35.305 -0.6642456 9.882664 
1 1 1    9    7    9 o  353.049   4.5101  1248.39   31.838 3.635193 9.020249 
1 1 1    9    7   10 o  135.967   3.0128  185.811   8.1059 4.250946 6.025575 
1 1 1    9    7   11 o  255.206   3.9803  650.175   20.258 -10.60071 7.960521 
1 1 1    9    7   12 o  149.751   2.7521  224.409   8.2422 2.245438 5.504271 
1 1 1    9    7   13 o  320.357   4.5365  1028.58   28.729 -0.6925964 9.073081 
1 1 1    9    7   14 o  237.513   3.7268  567.652   17.518 -8.148560 7.453510 
1 1 1    9    7   15 o  217.299   4.6010  470.687   19.843 9.939926 9.201974 
1 1 1    9    7   16 o  146.604   3.3264  214.439   9.7303 13.51598 6.652870 
1 1 1    9    7   17 o  279.439   4.0697  781.399   22.450 3.366638 8.139396 
1 1 1    9    7   18 o   49.111   7.4844   34.781   7.6502 -37.00165 14.96882 
1 1 1    9    7   19 o  180.631   3.4113  327.920   11.985 -1.590958 6.822604 
1 1 1    9    7   20 o  124.149   2.7562  154.424   6.8363 8.002357 5.512337 
1 1 1    9    7   21 o   31.797   8.8794   6.1552   8.2975 1.114071 17.75880 
1 1 1    9    7   22 o   39.317   8.9421   15.451   8.0628 8.324806 17.88419 
1 1 1    9    7   23 o  113.518   4.1197  131.015   9.3010 -10.57193 8.239490 
1 1 1    9    7   24 o  172.202   3.7311  300.001   12.829 -4.530563 7.462112 
1 1 1    9    7   25 o   84.125   5.5385   73.033   9.1432 -2.105774 11.07707 
1 1 1    9    7   26 o  110.644   6.7414  126.789   14.673 6.097397 13.48279 
1 1 1    9    7   27 o   29.603   9.5133  -6.9652   9.8435 20.76781 19.02666 
1 1 1    9    7   28 o  100.926   6.0363  104.472   12.184      ?      ? 
1 1 1    9    7   29 o   19.448   9.5309 -19.0510   12.564      ?      ? 
1 1 1    9    8    0 o  111.210   3.9284  124.876   8.6684 0.000000 0.000000 
1 1 1    9    8    1 o  231.090   3.8895  541.355   17.202 -10.22128 7.779048 
1 1 1    9    8    2 o  205.008   3.6677  416.224   13.945 5.830582 7.335480 
1 1 1    9    8    3 o   60.937   4.0787   37.199   4.9699 1.245243 8.157367 
1 1 1    9    8    4 o  265.433   3.5211  705.262   18.690 -2.949463 7.042111 
1 1 1    9    8    5 o  374.317   4.7402  1404.03   35.487 -1.217499 9.480479 
1 1 1    9    8    6 o  207.601   3.0240  431.210   12.554 -4.285446 6.048038 
1 1 1    9    8    7 o  300.195   3.9251  902.066   23.559 -5.099701 7.850175 
1 1 1    9    8    8 o  255.924   3.4918  655.525   17.869 4.039719 6.983652 
1 1 1    9    8    9 o  322.849   5.4423  1000.40   32.967 38.48044 10.88452 
1 1 1    9    8   10 o  244.089   3.6335  597.826   17.640 5.220062 7.266899 
1 1 1    9    8   11 o  219.147   3.2289  480.480   14.141 2.720139 6.457886 
1 1 1    9    8   12 o  217.697   4.7351  475.090   20.613 0.7682800 9.470147 
1 1 1    9    8   13 o  310.654   5.3768  971.875   32.959 6.653931 10.75350 
1 1 1    9    8   14 o  188.921   4.0811  358.768   14.839 2.033508 8.162290 
1 1 1    9    8   15 o  236.594   3.7635  563.474   17.633 -7.755020 7.527069 
1 1 1    9    8   16 o  190.405   4.2248  373.643   14.685 -13.36331 8.449622 
1 1 1    9    8   17 o   60.644   6.9408   39.274   7.6797 -8.715065 13.88156 
1 1 1    9    8   18 o  215.473   3.7244  465.008   16.020 -8.181686 7.448743 
1 1 1    9    8   19 o  149.330   2.9656  223.730   8.8388 0.9386292 5.931127 
1 1 1    9    8   20 o   89.780   4.1562   77.268   7.0437 -12.27422 8.312387 
1 1 1    9    8   21 o   90.621   3.4225   82.998   6.1424 2.686035 6.844934 
1 1 1    9    8   22 o   51.733   5.7038   32.380   5.0194 28.27493 11.40766 
1 1 1    9    8   23 o   91.721   3.8630   86.647   6.2586 4.226364 7.725963 
1 1 1    9    8   24 o   85.308   5.5661   75.135   9.4290 4.119820 11.13214 
1 1 1    9    8   25 o  208.812   4.4709  450.098   18.566 9.392288 8.941859 
1 1 1    9    8   26 o   28.782   9.0261  -5.4443   10.992 -6.372860 18.05227 
1 1 1    9    8   27 o   45.108   9.1400   23.756   9.2460 -16.94299 18.27995 
1 1 1    9    8   28 o   51.913   14.086   52.974   14.996      ?      ? 
1 1 1    9    9    0 o   93.426   4.6464   88.771   8.5693 0.000000 0.000000 
1 1 1    9    9    1 o  219.629   3.8521  487.579   16.072 6.864258 7.704231 
1 1 1    9    9    2 o  223.711   3.4131  500.883   15.103 -0.3711700 6.826157 
1 1 1    9    9    3 o  284.163   3.7582  808.557   21.358 -1.554993 7.516337 
1 1 1    9    9    4 o  298.853   4.2458  893.751   25.051 1.942230 8.491648 
1 1 1    9    9    5 o  242.089   3.6479  587.237   17.441 -1.055298 7.295897 
1 1 1    9    9    6 o   94.346   3.4600   89.118   6.5276 -0.1246643E-01 6.920037 
1 1 1    9    9    7 o  332.915   4.6725  1111.00   30.808 0.6660156 9.345031 
1 1 1    9    9    8 f  243.424   3.4292  593.069   16.691 2.642212 6.858429 
1 1 1    9    9    9 o  351.685   5.2411  1239.11   36.840 7.736145 10.48219 
1 1 1    9    9   10 o   95.037   6.6251   90.561   12.593      ?      ? 
1 1 1    9    9   11 o  235.408   5.2416  336.005   18.148 154.0432 10.48330 
1 1 1    9    9   12 o  348.333   4.8911  1219.73   33.819 -5.216003 9.782152 
1 1 1    9    9   13 o  162.844   3.4597  265.203   11.075 1.700882 6.919417 
1 1 1    9    9   14 o  113.577   3.5178  128.581   7.9562 -14.88629 7.035571 
1 1 1    9    9   15 o  167.859   3.2660  283.039   10.929 -4.698013 6.532001 
1 1 1    9    9   16 o  184.797   3.2882  339.688   12.019 9.659683 6.576490 
1 1 1    9    9   17 o   91.940   4.1720   85.302   7.2963 1.104179 8.343993 
1 1 1    9    9   18 o   62.028   5.1382   38.084   6.2683 -6.216518 10.27641 
1 1 1    9    9   19 o   77.425   8.9469   60.789   13.854      ?      ? 
1 1 1    9    9   20 o  115.625   4.3306  133.095   9.9186 -12.87860 8.661180 
1 1 1    9    9   21 o   37.118   8.2638   14.436   7.1150 -9.243176 16.52754 
1 1 1    9    9   22 o   50.757   5.6224   24.983   5.4074 -16.16892 11.24483 
1 1 1    9    9   23 o   57.145   5.7297   37.480   5.7278 21.81371 11.45936 
1 1 1    9    9   24 o   75.281   5.0176   56.941   6.2827 -2.459320 10.03511 
1 1 1    9    9   25 o   94.265   5.3911   91.528   7.1924 2.248909 10.78214 
1 1 1    9    9   26 f   37.328   10.738   10.009   13.373 -8.363777 21.47534 
1 1 1    9    9   27 o   35.064   9.6160   15.213   10.030 7.318514 19.23205 
1 1 1    9    9   28 o   40.235   14.632   21.043   15.260      ?      ? 
1 1 1    9   10    0 o  344.959   7.7720  1198.93   50.392 0.000000 0.000000 
1 1 1    9   10    1 o  227.460   3.2881  517.895   14.958 -1.453293 6.576297 
1 1 1    9   10    2 o  372.269   4.7692  1388.39   35.499 5.412109 9.538434 
1 1 1    9   10    3 o  412.960   5.2555  1709.78   43.405 2.096191 10.51105 
1 1 1    9   10    4 o  319.166   4.8700  1020.60   31.080 5.374451 9.740008 
1 1 1    9   10    5 o  295.348   7.7446  874.896   45.747      ?      ? 
1 1 1    9   10    6 o  148.213   3.7101  206.925   10.646 36.82608 7.420286 
1 1 1    9   10    7 f  117.875   3.9289  139.702   9.2216 12.11679 7.857894 
1 1 1    9   10    8 o  169.361   6.1871  287.554   20.957      ?      ? 
1 1 1    9   10    9 o  105.956   4.2847  110.634   8.8841 8.295334 8.569347 
1 1 1    9   10   10 o  197.732   3.9535  388.257   14.731 5.407455 7.907035 
1 1 1    9   10   11 o   93.732   4.2479   88.056   7.9602 -2.361771 8.495737 
1 1 1    9   10   12 o  212.999   3.3476  454.018   14.250 7.200272 6.695261 
1 1 1    9   10   13 o   97.846   4.2032   96.018   8.2018 -1.640472 8.406446 
1 1 1    9   10   14 o  100.966   3.9793  102.782   7.9057 2.384560 7.958520 
1 1 1    9   10   15 o  144.572   3.3587  209.530   9.5813 -0.9220123 6.717420 
1 1 1    9   10   16 o  118.418   3.2432  140.722   7.6357 0.1462326 6.486358 
1 1 1    9   10   17 o  112.604   4.0652  128.265   9.0024 -3.563133 8.130321 
1 1 1    9   10   18 o   38.706   8.0360   15.057   6.2802 -5.310341 16.07209 
1 1 1    9   10   19 o  204.664   3.4798  423.925   14.155 -11.22751 6.959654 
1 1 1    9   10   20 o  147.596   3.3722  221.376   9.7100 5.926102 6.744462 
1 1 1    9   10   21 o   92.923   7.0889   98.449   9.1754 15.58955 14.17770 
1 1 1    9   10   22 o   32.556   8.3087   9.2095   6.3104 -6.971907 16.61738 
1 1 1    9   10   23 o  119.097   6.3249  147.456   14.826 -9.953918 12.64984 
1 1 1    9   10   24 o   27.338   8.9313 -14.0398   12.890 -12.82044 17.86255 
1 1 1    9   10   25 o   44.816   6.8602   21.533   5.8859 -7.341698 13.72044 
1 1 1    9   10   26 o   36.359   7.4978   20.997   5.7401 0.8184013 14.99558 
1 1 1    9   10   27 o   75.607   4.3476   60.538   6.2578 33.16758 8.695176 
1 1 1    9   11    0 o   43.549   12.917   24.487   11.881 0.000000 0.000000 
1 1 1    9   11    1 o  208.472   6.5296  435.827   27.225      ?      ? 
1 1 1    9   11    2 o  199.122   4.1125  400.177   16.260 17.19955 8.224921 
1 1 1    9   11    3 o  106.676   7.2061  114.192   15.374      ?      ? 
1 1 1    9   11    4 o  277.007   4.6893  772.848   24.603 3.897186 9.378617 
1 1 1    9   11    5 o  195.825   3.9913  390.938   14.835 11.26311 7.982616 
1 1 1    9   11    6 o  215.695   3.9458  468.958   16.422 4.651520 7.891698 
1 1 1    9   11    7 o   45.312   13.048   21.312   12.468      ?      ? 
1 1 1    9   11    8 o  152.815   5.3021  180.024   12.689 -58.44144 10.60413 
1 1 1    9   11    9 o  217.822   4.2222  483.054   17.611 11.93459 8.444329 
1 1 1    9   11   10 o  198.859   3.5250  396.134   13.915 -1.801453 7.049919 
1 1 1    9   11   11 o  112.200   4.5453  127.755   10.089 -9.057602 9.090660 
1 1 1    9   11   12 o   71.344   6.7418   51.652   9.5956 4.681953 13.48360 
1 1 1    9   11   13 o   90.193   4.3228   81.921   7.6860 0.4060059 8.645676 
1 1 1    9   11   14 o   81.377   4.6571   66.774   7.3897 0.5969162 9.314182 
1 1 1    9   11   15 o   85.171   4.6597   73.058   7.6636 -0.2330551 9.319470 
1 1 1    9   11   16 o   58.543   7.5249   35.769   8.6012 -3.381130 15.04986 
1 1 1    9   11   17 o  108.814   3.8181  120.815   8.0097 5.359116 7.636266 
1 1 1    9   11   18 o   66.563   6.1859   40.399   7.2128 -14.76233 12.37177 
1 1 1    9   11   19 o   61.792   7.1713   41.458   7.3661 5.992382 14.34261 
1 1 1    9   11   20 o   53.571   6.4022   29.690   6.5972 -3.245731 12.80432 
1 1 1    9   11   21 o   45.773   7.4769   24.908   6.9378 18.81734 14.95382 
1 1 1    9   11   22 o   64.665   12.784   44.416   15.946      ?      ? 
1 1 1    9   11   23 o   71.363   6.1126   56.507   8.0724 15.46790 12.22523 
1 1 1    9   11   24 o   52.045   7.6972   30.283   7.6311 4.335182 15.39445 
1 1 1    9   12    0 o  133.377   6.8232  190.081   16.497 0.000000 0.000000 
1 1 1    9   12    1 o  238.385   7.2761  570.684   34.690      ?      ? 
1 1 1    9   12    2 o   91.349   6.3637   83.726   11.626      ?      ? 
1 1 1    9   12    3 o  106.103   4.4768  112.903   9.4969 3.108681 8.953648 
1 1 1    9   12    4 o   58.916   7.3464   33.204   8.2117 18.29072 14.69280 
1 1 1    9   12    5 o  128.260   3.7949  164.952   9.7314 -4.646271 7.589862 
1 1 1    9   12    6 o   45.035   7.9602   21.348   7.1510 2.269760 15.92043 
1 1 1    9   12    7 o  144.422   3.3181  207.722   9.5293 8.968506 6.636113 
1 1 1    9   12    8 o  264.389   3.9581  701.598   20.729 0.9221497 7.916267 
1 1 1    9   12    9 o   98.063   3.9919   96.411   7.8215 4.700508 7.983826 
1 1 1    9   12   10 o   62.703   5.7234   39.759   7.1763 1.618641 11.44684 
1 1 1    9   12   11 o   33.246   8.0602   9.0260   7.0267 13.43257 16.12030 
1 1 1    9   12   12 o   31.824   8.4472   7.3884   7.6125 7.223324 16.89435 
1 1 1    9   12   13 o  187.748   4.1906  352.419   15.316 4.787415 8.381171 
1 1 1    9   12   14 o  162.101   3.6168  263.909   11.394 1.624405 7.233620 
1 1 1    9   12   15 o   86.323   5.4666   75.563   9.2598 1.185005 10.93312 
1 1 1    9   12   16 o  110.925   4.7259  125.325   10.171 -1.637321 9.451778 
1 1 1    9   12   17 o  118.424   3.7584  140.826   8.8691 8.630226 7.516899 
1 1 1    9   12   18 o  117.092   4.2683  138.697   9.7175 1.682373 8.536668 
1 1 1    9   12   19 f   53.129   7.2372   30.466   7.4942 6.125107 14.47449 
1 1 1    9   12   20 o  140.287   5.4216  186.623   14.626 -51.95798 10.84310 
1 1 1    9   12   21 o   25.288   8.0686  -9.0193   9.1697 -12.16340 16.13715 
1 1 1    9   12   22 f   35.165   8.3498   11.883   7.4829 15.13927 16.69960 
1 1 1    9   12   23 o   70.654   5.4252   52.356   7.6206 8.865685 10.85036 
1 1 1    9   12   24 o   73.771   6.8805   56.122   10.048 10.73068 13.76106 
1 1 1    9   13    0 o   44.702   11.692   30.673   11.529 0.000000 0.000000 
1 1 1    9   13    1 o  118.288   3.7302  137.931   8.6917 11.65070 7.460341 
1 1 1    9   13    2 o  104.587   4.7270  109.286   9.8112 18.37916 9.453972 
1 1 1    9   13    3 o  207.682   3.5588  431.590   14.498 3.058121 7.117591 
1 1 1    9   13    4 o   49.293   7.5470   25.618   7.1678 -0.1499062 15.09407 
1 1 1    9   13    5 o   79.207   4.9793   60.360   7.7040 20.02718 9.958673 
1 1 1    9   13    6 o  142.455   3.1432  203.687   8.9538 -2.553177 6.286490 
1 1 1    9   13    7 o   48.069   7.1537   24.365   6.6576 2.713554 14.30742 
1 1 1    9   13    8 o  181.292   3.1345  329.816   11.362 1.798782 6.269027 
1 1 1    9   13    9 o   38.436   8.2571   15.238   7.0026 6.347092 16.51417 
1 1 1    9   13   10 o  166.736   3.2621  279.003   10.873 1.347778 6.524225 
1 1 1    9   13   11 o  172.062   3.1848  297.666   10.959 -2.945587 6.369609 
1 1 1    9   13   12 o   45.198   8.0895   22.452   7.2695 5.972805 16.17897 
1 1 1    9   13   13 o   61.125   6.9394   39.446   7.7060 3.209988 13.87877 
1 1 1    9   13   14 f  126.312   3.4444  160.910   8.7012 -0.3628845 6.888813 
1 1 1    9   13   15 o   22.503   7.3727  -8.3334   7.8326 0.8131142 14.74542 
1 1 1    9   13   16 o   62.181   6.6830   39.796   8.2242 -3.764549 13.36598 
1 1 1    9   13   17 o   38.970   8.9393   15.527   7.9557 -9.492184 17.87859 
1 1 1    9   13   19 o  106.756   8.1002  117.441   17.295      ?      ? 
1 1 1    9   13   20 o   87.283   5.5665   79.569   9.5584 -2.022339 11.13301 
1 1 1    9   13   21 o   35.897   9.8353   11.873   9.6187 3.716072 19.67058 
1 1 1    9   14    0 o   57.163   9.6411   38.082   9.5471 0.000000 0.000000 
1 1 1    9   14    1 o  109.587   3.5295  120.664   7.7354 0.3675842E-01 7.058976 
1 1 1    9   14    2 o   89.320   4.1191   80.300   7.3563 -1.679329 8.238262 
1 1 1    9   14    3 o   71.327   7.1592   52.051   8.8385 54.98595 14.31833 
1 1 1    9   14    4 o   91.100   5.1151   82.257   9.1984 20.57738 10.23011 
1 1 1    9   14    5 o   44.717   9.6977   20.800   9.2922 0.2233429 19.39542 
1 1 1    9   14    6 o   60.252   7.5486   38.027   8.7887 -2.551426 15.09727 
1 1 1    9   14    7 o  142.769   3.7926  209.207   10.479 -11.29919 7.585259 
1 1 1    9   14    8 o  110.256   3.5730  122.260   7.8715 -6.270500 7.145928 
1 1 1    9   14    9 o  130.001   3.7300  170.115   9.6662 -3.189102 7.460042 
1 1 1    9   14   10 o  127.436   3.7795  163.777   9.6128 -3.127815 7.559065 
1 1 1    9   14   11 f   39.148   8.0149   15.899   7.0004 -14.65447 16.02986 
1 1 1    9   14   12 o   48.660   7.9811   25.544   7.6250 8.618114 15.96218 
1 1 1    9   14   13 o   67.594   5.9203   47.517   7.8962 5.080048 11.84052 
1 1 1    9   14   14 o   59.254   7.9192   39.234   8.9404 -13.75496 15.83848 
1 1 1    9   14   15 o   89.892   6.4298   83.311   11.560      ?      ? 
1 1 1    9   14   16 o  282.581   9.1444  811.014   51.681      ?      ? 
1 1 1    9   14   17 f   45.464   8.8904   27.032   8.3537 0.3278389 17.78085 
1 1 1    9   14   18 o   61.597   7.2491   41.696   8.6326 -8.981110 14.49820 
1 1 1    9   14   19 o   26.289   8.2265  -1.5305   8.6252 -1.995909 16.45305 
1 1 1    9   14   20 o   61.586   9.7916   46.751   11.352 -10.43072 19.58328 
1 1 1    9   14   21 o   62.005   17.586   86.386   22.816      ?      ? 
1 1 1    9   15    0 o  110.061   5.6660  121.150   11.828 0.000000 0.000000 
1 1 1    9   15    1 f   62.507   5.3860   39.784   6.7218 1.017754 10.77201 
1 1 1    9   15    2 o  148.397   3.3443  221.501   9.8627 2.164780 6.688591 
1 1 1    9   15    3 o  163.395   3.3750  267.409   10.936 7.490738 6.749965 
1 1 1    9   15    4 o  125.505   3.8885  158.832   9.4303 0.8760757 7.776924 
1 1 1    9   15    5 o   75.933   5.1749   58.265   7.6997 -2.927483 10.34975 
1 1 1    9   15    6 o   40.020   8.1788   17.878   7.5466 16.20893 16.35762 
1 1 1    9   15    7 o  142.929   4.0924  208.304   11.141 3.887268 8.184796 
1 1 1    9   15    8 o   51.718   8.9041   28.676   8.9729 -8.157566 17.80822 
1 1 1    9   15    9 o   58.225   7.2459   35.573   8.1786 13.95638 14.49189 
1 1 1    9   15   10 o   98.244   5.0404  101.129   9.5192 -10.27196 10.08085 
1 1 1    9   15   11 o   40.278   9.5868   17.061   9.0061 3.557415 19.17366 
1 1 1    9   15   12 o   20.757   7.2092 -24.1537   9.5226 6.096979 14.41839 
1 1 1    9   15   13 o  176.676   7.3848  315.326   26.094      ?      ? 
1 1 1    9   15   15 o   27.000   8.3327  -0.4655   8.4478 -1.382753 16.66535 
1 1 1    9   15   16 o   96.542   5.6244   96.119   10.790 12.60386 11.24877 
1 1 1    9   15   17 o   40.619   9.6896   18.938   9.3306 0.7851677 19.37923 
1 1 1    9   15   18 o   40.143   9.8827   15.595   9.7782 3.677345 19.76544 
1 1 1    9   16    0 o   23.400   10.571   2.1730   11.016 0.000000 0.000000 
1 1 1    9   16    1 o   46.967   8.1526   23.774   7.5823 8.785728 16.30522 
1 1 1    9   16    2 o   32.862   9.2652   6.8986   9.0125 -5.343548 18.53040 
1 1 1    9   16    3 f   63.342   7.2170   43.893   8.6191 18.69434 14.43407 
1 1 1    9   16    4 o   30.611   8.0249   6.6828   7.0234 -11.63521 16.04987 
1 1 1    9   16    5 o   34.444   8.3414   11.395   7.2306 -10.34592 16.68287 
1 1 1    9   16    6 o   45.713   9.8139   24.038   9.7809 -3.438919 19.62786 
1 1 1    9   16    7 o   30.227   8.5092   6.0289   7.8586 6.248171 17.01836 
1 1 1    9   16    8 o   38.980   9.0353   12.272   9.4615 21.84537 18.07060 
1 1 1    9   16    9 o  152.551   5.8123  234.267   17.598 5.973953 11.62464 
1 1 1    9   16   11 f   32.383   9.8793   3.5740   10.706 -6.519173 19.75867 
1 1 1    9   16   12 o  172.106   8.8125  313.280   30.334      ?      ? 
1 1 1    9   16   13 o   30.405   8.9480   3.3099   9.6219 7.528994 17.89608 
1 1 1    9   16   14 f   35.817   9.8819   11.896   9.9819 -2.162724 19.76370 
1 1 1    9   16   15 o   70.235   9.7564   55.576   13.158 0.4961548 19.51271 
1 1 1    9   16   16 o   51.814   12.745   30.400   15.412 -14.78689 25.49028 
1 1 1    9   17    0 o   20.559   10.334 -23.8207   16.632 0.000000 0.000000 
1 1 1    9   17    1 o   20.796   7.2055 -32.1480   10.450 7.631683 14.41107 
1 1 1    9   17    2 o   24.294   8.2264 -19.6644   10.997 8.272358 16.45272 
1 1 1    9   17    3 o   25.725   8.5403 -12.9066   11.286 11.27533 17.08061 
1 1 1    9   17    4 o   50.675   8.2575   30.918   8.8135 26.35658 16.51497 
1 1 1    9   17    5 o   36.681   9.2971   13.615   8.6686 3.584419 18.59422 
1 1 1    9   17    6 o   42.499   8.9032   19.672   8.3566 -13.38715 17.80642 
1 1 1    9   17    7 o   23.162   7.5889  -8.1637   8.3943 -3.068579 15.17788 
1 1 1    9   17    8 o   33.164   8.9802   8.6990   8.5420 -9.105555 17.96045 
1 1 1    9   17    9 o   39.342   9.3480   17.440   8.8698 6.968166 18.69594 
1 1 1    9   17   10 o   35.578   9.4288   12.961   9.0955 -5.749905 18.85755 
1 1 1    9   17   11 o   26.587   8.4408  -1.4865   9.3921 -5.162022 16.88153 
1 1 1    9   17   12 o   49.872   11.605   26.168   13.350 -3.699890 23.21077 
1 1 1    9   18    0 o   87.965   9.6994   95.718   14.997 0.000000 0.000000 
1 1 1    9   18    1 o   86.354   6.0226   86.844   10.399 0.1209259 12.04524 
1 1 1    9   18    2 o   44.708   10.221   50.444   11.017 19.63030 20.44289 
1 1 1    9   18    4 o   22.856   7.9908 -27.6504   12.262 -5.803183 15.98154 
1 1 1    9   18    5 o   42.918   11.948   13.585   14.294 -6.911537 23.89607 
1 1 1    9   18    7 f   64.266   10.542   47.620   13.310 7.352139 21.08442 
1 1 1   10    0    0 o   32.862   8.6897   14.544   5.3083 0.000000 0.000000 
1 1 1   10    0    1 o   75.512   3.0194   57.517   4.5254 0.000000 0.000000 
1 1 1   10    0    2 o   15.796   6.6854   2.5631   3.7440 0.000000 0.000000 
1 1 1   10    0    3 f  248.100   5.5513  620.628   26.014 0.000000 0.000000 
1 1 1   10    0    4 o  190.566   5.1486  364.242   19.591 0.000000 0.000000 
1 1 1   10    0    5 o  160.917   3.7467  264.557   10.693 0.000000 0.000000 
1 1 1   10    0    6 o   18.272   7.7625   3.5479   5.0304 0.000000 0.000000 
1 1 1   10    0    7 o  368.617   7.5590  1377.45   48.767 0.000000 0.000000 
1 1 1   10    0    8 o  445.638   9.6848  2020.85   82.031 0.000000 0.000000 
1 1 1   10    0    9 f  286.756   6.3349  832.794   34.735 0.000000 0.000000 
1 1 1   10    0   10 o  175.537   4.3847  304.740   14.546 0.000000 0.000000 
1 1 1   10    0   11 o   82.422   5.5167   70.186   8.6537 0.000000 0.000000 
1 1 1   10    0   12 o  358.846   9.1436  1298.11   65.368 0.000000 0.000000 
1 1 1   10    0   13 o  290.425   6.6495  844.163   35.754 0.000000 0.000000 
1 1 1   10    0   14 o   11.703   8.4738 -15.8263   9.5217 0.000000 0.000000 
1 1 1   10    0   15 o  243.931   5.8666  604.558   27.086 0.000000 0.000000 
1 1 1   10    0   16 o  292.527   6.7820  849.633   36.440 0.000000 0.000000 
1 1 1   10    0   17 o  397.053   8.8749  1569.77   64.991 0.000000 0.000000 
1 1 1   10    0   18 o  311.638   7.2327  993.956   43.160 0.000000 0.000000 
1 1 1   10    0   19 o  554.432   12.120  3139.13  127.776 0.000000 0.000000 
1 1 1   10    0   20 o   98.789   8.6190  117.325   13.007 0.000000 0.000000 
1 1 1   10    0   21 o  110.165   6.3325  116.480   12.670 0.000000 0.000000 
1 1 1   10    0   22 o  120.961   4.7891  147.205   11.448 0.000000 0.000000 
1 1 1   10    0   23 o  232.151   6.1897  523.144   25.300 0.000000 0.000000 
1 1 1   10    0   24 o  297.286   7.2934  835.851   37.296 0.000000 0.000000 
1 1 1   10    0   25 o   30.114   12.103   12.697   11.624 0.000000 0.000000 
1 1 1   10    0   26 f   94.042   7.6114   91.068   14.133 0.000000 0.000000 
1 1 1   10    0   27 o   38.045   12.078   21.908   9.7202 0.000000 0.000000 
1 1 1   10    0   28 o   24.337   11.167   2.8506   12.027 0.000000 0.000000 
1 1 1   10    0   30 f   95.109   6.9431   96.002   12.079 0.000000 0.000000 
1 1 1   10    1    0 o  453.500   9.2544  2076.17   72.810 0.000000 0.000000 
1 1 1   10    1    1 o  128.239   2.0621  164.515   5.2887 -1.304504 4.124229 
1 1 1   10    1    2 o  294.339   4.0269  866.156   23.410 -3.223236 8.053835 
1 1 1   10    1    3 o  308.939   4.5056  956.546   27.839 -0.1408081 9.011270 
1 1 1   10    1    4 o  125.101   2.2501  156.790   5.5597 -0.9414063 4.500104 
1 1 1   10    1    5 o   79.610   2.4028   63.621   3.7800 1.564781 4.805620 
1 1 1   10    1    6 o  283.993   4.4668  806.705   23.766 -2.044830 8.933636 
1 1 1   10    1    7 o  105.313   2.8395  109.258   5.7240 -5.686058 5.679005 
1 1 1   10    1    8 o  276.168   3.8270  765.134   20.933 1.010315 7.654047 
1 1 1   10    1    9 o  155.948   2.5499  243.037   7.8836 1.949295 5.099860 
1 1 1   10    1   10 o  166.641   3.5300  273.331   11.605 -17.28363 7.059937 
1 1 1   10    1   11 o   89.601   3.3927   83.456   5.8505 17.92603 6.785382 
1 1 1   10    1   12 o  312.051   4.6021  976.197   28.720 3.126190 9.204113 
1 1 1   10    1   13 o  109.687   2.8843  119.798   6.1862 2.586708 5.768668 
1 1 1   10    1   14 o  176.958   3.3542  314.787   11.810 -9.199478 6.708487 
1 1 1   10    1   15 f  189.004   3.2321  357.624   12.215 1.743622 6.464117 
1 1 1   10    1   16 o  342.344   4.7289  1173.87   32.052 1.478210 9.457764 
1 1 1   10    1   17 o  394.740   5.4142  1561.93   42.324 0.9459839 10.82844 
1 1 1   10    1   18 o  313.949   4.4539  983.739   27.573 7.882050 8.907737 
1 1 1   10    1   19 o  400.641   5.2992  1584.62   40.350 20.49182 10.59837 
1 1 1   10    1   20 f  179.184   3.5996  321.231   12.852 -3.210358 7.199121 
1 1 1   10    1   21 o  157.621   3.0605  247.214   9.3228 4.187622 6.121050 
1 1 1   10    1   22 o  187.176   3.0961  355.681   11.404 -16.06639 6.192202 
1 1 1   10    1   23 o  139.048   3.0443  196.028   8.2863 -8.068832 6.088583 
1 1 1   10    1   24 o  196.374   3.3718  384.831   13.189 -24.71474 6.743587 
1 1 1   10    1   25 o  114.746   3.6577  133.991   8.0654 -4.393791 7.315415 
1 1 1   10    1   26 o   70.578   5.5649   50.865   7.7875 -0.4518814 11.12988 
1 1 1   10    1   27 o   82.048   5.4892   68.159   8.9469 10.90090 10.97834 
1 1 1   10    1   28 o  103.357   4.1333  109.534   8.5092 -9.604141 8.266691 
1 1 1   10    1   29 o   36.696   13.288   12.024   12.573      ?      ? 
1 1 1   10    1   30 o  163.083   4.2905  262.067   13.024 16.47791 8.581021 
1 1 1   10    2    0 o  169.729   3.4031  288.692   11.525 0.000000 0.000000 
1 1 1   10    2    1 f  216.526   2.8496  469.082   12.337 3.309677 5.699122 
1 1 1   10    2    2 o  215.620   2.8432  464.993   12.254 -4.941132 5.686497 
1 1 1   10    2    3 o  177.900   2.6744  316.492   9.4112 1.159454 5.348760 
1 1 1   10    2    4 o   86.319   2.2558   74.190   3.7269 1.487526 4.511589 
1 1 1   10    2    5 o  166.228   2.7681  276.427   9.1980 -4.220734 5.536149 
1 1 1   10    2    6 o  227.604   3.4658  518.712   15.768 3.982483 6.931524 
1 1 1   10    2    7 o  112.901   2.2547  128.356   4.8514 -2.303154 4.509315 
1 1 1   10    2    8 o  182.220   2.6457  332.707   9.2764 -0.6064301 5.291332 
1 1 1   10    2    9 o  153.027   2.5461  233.932   7.6236 1.490509 5.092178 
1 1 1   10    2   10 o   68.357   4.1962   45.412   5.6423 15.84477 8.392312 
1 1 1   10    2   11 o  267.023   3.7389  715.279   19.813 3.107086 7.477764 
1 1 1   10    2   12 o  488.265   7.8797  2397.82   75.237 3.308624 15.75945 
1 1 1   10    2   13 o  225.807   3.1606  507.200   13.766 5.178528 6.321247 
1 1 1   10    2   14 o  314.708   4.3545  988.835   27.027 5.980072 8.708947 
1 1 1   10    2   15 o  460.280   6.2284  2119.52   56.497 8.561371 12.45675 
1 1 1   10    2   16 o  225.541   3.3679  505.275   14.928 9.127640 6.735737 
1 1 1   10    2   17 o  511.438   6.6258  2615.74   65.244 7.224243 13.25152 
1 1 1   10    2   18 o  191.900   3.9855  337.592   13.907 38.05583 7.970981 
1 1 1   10    2   19 o  224.945   3.6413  504.434   16.326 13.51532 7.282631 
1 1 1   10    2   20 o  285.755   5.4998  818.513   31.432      ?      ? 
1 1 1   10    2   21 o  135.347   2.8687  186.068   7.5836 -9.674667 5.737465 
1 1 1   10    2   22 o  150.195   2.9307  225.711   8.5126 1.015381 5.861481 
1 1 1   10    2   23 o   45.776   7.4081   21.932   6.5401 -2.330990 14.81613 
1 1 1   10    2   24 o  161.957   4.6799  224.191   13.836 90.20016 9.359813 
1 1 1   10    2   25 o   64.933   4.3739   43.374   5.5501 -6.662338 8.747753 
1 1 1   10    2   26 o   43.463   6.7842   20.439   5.6175 -2.939472 13.56843 
1 1 1   10    2   27 o   98.777   3.3596   98.414   6.6315 -5.618767 6.719233 
1 1 1   10    2   28 o   78.913   4.3192   63.597   6.7397 -16.57779 8.638395 
1 1 1   10    2   29 f   38.923   8.1692   14.668   7.3960 21.35990 16.33845 
1 1 1   10    2   30 o   79.066   4.1851   64.131   6.2404 -0.9505692 8.370234 
1 1 1   10    3    0 o  131.955   4.4596  175.330   11.703 0.000000 0.000000 
1 1 1   10    3    1 o  191.520   2.6060  367.195   9.9819 -0.5809174 5.212049 
1 1 1   10    3    2 o  223.889   2.9428  501.561   13.169 4.978745 5.885692 
1 1 1   10    3    3 o  150.071   2.4732  225.934   7.3569 2.616028 4.946353 
1 1 1   10    3    4 o   62.916   5.1469   39.261   5.1689 -54.98498 10.29380 
1 1 1   10    3    5 o   67.445   2.6608   45.544   3.5891 0.4717407 5.321628 
1 1 1   10    3    6 o  308.118   4.2346  952.960   25.830 -0.9205322 8.469257 
1 1 1   10    3    7 o  304.798   4.1893  933.574   25.338 -5.009338 8.378577 
1 1 1   10    3    8 o  230.387   3.7623  527.312   16.057 5.144806 7.524585 
1 1 1   10    3    9 o   79.172   3.1384   61.978   4.9037 6.009140 6.276826 
1 1 1   10    3   10 o  190.443   2.9262  363.920   10.968 -2.417816 5.852460 
1 1 1   10    3   11 o  248.555   4.0174  625.913   18.975 -9.289017 8.034861 
1 1 1   10    3   12 o  177.503   3.0867  315.098   10.935 2.313400 6.173344 
1 1 1   10    3   13 o  518.276   7.6392  2715.70   72.076 -8.167114 15.27843 
1 1 1   10    3   14 o  173.937   3.4138  308.386   11.105 -9.338974 6.827630 
1 1 1   10    3   15 o  258.850   6.1838  595.758   26.501 51.86778 12.36768 
1 1 1   10    3   16 o   96.518   4.4637   96.724   8.0077 -10.32339 8.927370 
1 1 1   10    3   17 o  213.151   4.2543  451.416   17.740 8.265289 8.508592 
1 1 1   10    3   18 o  253.059   7.2592  642.621   36.740      ?      ? 
1 1 1   10    3   19 o  175.553   4.9474  308.845   17.370      ?      ? 
1 1 1   10    3   20 o  255.967   5.8159  657.304   29.774      ?      ? 
1 1 1   10    3   21 o   85.473   5.6507   76.859   8.7058 -9.384346 11.30138 
1 1 1   10    3   22 o  153.514   4.1291  238.299   12.215 -3.410995 8.258270 
1 1 1   10    3   23 o   94.061   6.2020   89.153   11.667      ?      ? 
1 1 1   10    3   24 o   79.380   9.8851  107.040   10.450 -62.01816 19.77028 
1 1 1   10    3   25 o  171.055   5.1854  291.871   13.704 3.400497 10.37082 
1 1 1   10    3   26 o   99.177   5.6416   96.842   9.3130 5.662605 11.28330 
1 1 1   10    3   27 o   80.918   6.9308   77.816   8.8123 -23.60965 13.86152 
1 1 1   10    3   28 o  109.346   5.5338  120.782   11.948 -24.61295 11.06751 
1 1 1   10    3   29 o   73.883   14.184   66.831   20.212      ?      ? 
1 1 1   10    3   30 f  172.332   4.3690  306.149   15.051 -2.537949 8.737914 
1 1 1   10    4    0 o  206.225   3.9542  426.621   16.279 0.000000 0.000000 
1 1 1   10    4    1 o   44.386   4.1971   20.013   3.6687 -4.146187 8.394113 
1 1 1   10    4    2 o  152.823   2.5096  234.229   7.6091 -2.334991 5.019300 
1 1 1   10    4    3 o  169.731   2.4476  288.320   8.3074 -2.421722 4.895301 
1 1 1   10    4    4 o  194.479   2.6839  378.721   10.439 1.050873 5.367767 
1 1 1   10    4    5 o   83.146   2.7500   68.872   4.5049 -2.368538 5.499943 
1 1 1   10    4    6 o  170.197   2.4891  289.957   8.4726 0.6691284 4.978137 
1 1 1   10    4    7 o  117.378   2.9461  137.618   6.8539 -2.206276 5.892139 
1 1 1   10    4    8 o  144.616   2.7607  209.515   7.9817 -3.170242 5.521459 
1 1 1   10    4    9 o  232.473   3.5938  541.104   16.704 -5.169037 7.187594 
1 1 1   10    4   10 o  147.699   3.2269  217.001   9.4819 21.36870 6.453777 
1 1 1   10    4   11 o  277.232   3.9153  769.573   21.435 0.4312134 7.830648 
1 1 1   10    4   12 o  211.718   3.5145  455.035   13.464 -7.147858 7.028932 
1 1 1   10    4   13 o  758.880   11.242  5804.81  153.457 2.043762 22.48366 
1 1 1   10    4   14 o  288.485   4.4784  836.831   23.224 -2.575592 8.956798 
1 1 1   10    4   15 o  283.979   3.8797  808.868   21.218 -1.711914 7.759419 
1 1 1   10    4   16 o  190.957   4.2785  365.285   16.336 -5.861893 8.557020 
1 1 1   10    4   17 o  137.658   4.0925  187.169   11.165 -14.37088 8.184958 
1 1 1   10    4   18 o  158.050   3.6812  250.419   11.620 -10.72495 7.362405 
1 1 1   10    4   19 o  255.529   5.6575  681.875   24.235 -19.44299 11.31500 
1 1 1   10    4   20 o  315.001   6.8328  1015.28   37.715 -9.704224 13.66559 
1 1 1   10    4   21 o  245.077   5.6432  587.918   21.438 10.20045 11.28650 
1 1 1   10    4   22 o  101.517   5.2448  102.060   9.9064 4.815468 10.48956 
1 1 1   10    4   23 o  142.537   6.4001  225.914   16.322 -39.78074 12.80019 
1 1 1   10    4   24 o  157.891   4.2480  252.732   13.029 -2.272278 8.495948 
1 1 1   10    4   25 o   98.480   5.2780  101.089   9.9785 -9.303879 10.55591 
1 1 1   10    4   26 o   97.898   4.9928  100.107   8.8381 -6.402084 9.985614 
1 1 1   10    4   27 o   59.521   7.5288   40.657   7.7696 -12.32225 15.05760 
1 1 1   10    4   29 o   29.536   8.7452   3.0618   8.5486 6.835333 17.49044 
1 1 1   10    4   30 o   50.178   7.8023   27.055   7.1859 8.015583 15.60458 
1 1 1   10    5    0 o  423.895   7.5265  1808.07   63.694 0.000000 0.000000 
1 1 1   10    5    1 o  159.674   2.4150  255.158   7.7115 2.113083 4.830071 
1 1 1   10    5    2 o  135.618   2.9244  185.630   7.8541 -9.352844 5.848849 
1 1 1   10    5    3 o  136.713   2.5370  187.259   6.8444 0.7551270 5.073991 
1 1 1   10    5    4 o   45.550   5.6535   22.830   4.7525 15.60024 11.30698 
1 1 1   10    5    5 o  152.025   2.8879  231.387   8.3349 -0.5859375E-01 5.775858 
1 1 1   10    5    6 f   71.671   4.1853   51.450   5.9993      ?      ? 
1 1 1   10    5    7 o   57.492   4.8847   32.982   5.4097 -1.169960 9.769498 
1 1 1   10    5    9 o  255.596   3.6739  653.174   18.500 2.594269 7.347772 
1 1 1   10    5   10 o  421.112   6.1113  1777.89   51.424 10.28418 12.22255 
1 1 1   10    5   11 o  136.596   2.9983  191.363   7.9114 -15.20526 5.996686 
1 1 1   10    5   12 o   97.442   3.6673   94.961   7.1364 -7.495926 7.334667 
1 1 1   10    5   13 o  148.677   3.5380  220.667   10.502 7.487473 7.075904 
1 1 1   10    5   14 o  350.685   4.8369  1231.31   33.518 2.371887 9.673813 
1 1 1   10    5   15 o  192.150   3.1690  371.374   11.444 -2.835983 6.337915 
1 1 1   10    5   16 o   34.170   8.9540   8.7540   8.3333 -6.167494 17.90800 
1 1 1   10    5   17 o  158.260   4.2042  249.716   13.010 -3.940826 8.408411 
1 1 1   10    5   18 o  242.505   5.6586  592.273   24.370 1.498734 11.31716 
1 1 1   10    5   19 o   82.228   6.8332   66.512   10.735 -6.845566 13.66646 
1 1 1   10    5   20 o  290.736   4.5801  850.154   26.631 -1.796295 9.160154 
1 1 1   10    5   21 o  115.192   5.3869  135.978   12.010 -36.10233 10.77376 
1 1 1   10    5   22 o  111.250   5.6671  124.587   12.609      ?      ? 
1 1 1   10    5   23 o  215.257   4.1548  472.818   16.952 -9.047440 8.309677 
1 1 1   10    5   24 o   79.041   5.8999   65.007   8.6136 -4.667747 11.79982 
1 1 1   10    5   25 o   75.755   6.1949   61.464   8.4374 -8.840057 12.38990 
1 1 1   10    5   26 o   70.016   7.3508   53.826   8.4729 -7.717995 14.70156 
1 1 1   10    5   28 o   30.160   9.2657   2.1061   11.068 12.42211 18.53150 
1 1 1   10    5   29 f   57.508   8.1532   36.500   8.8472 -0.9215584 16.30646 
1 1 1   10    6    0 o  153.740   3.5000  237.364   10.737 0.000000 0.000000 
1 1 1   10    6    1 o  350.575   4.4381  1233.28   31.114 -3.507935 8.876249 
1 1 1   10    6    2 o  192.429   2.9635  370.892   11.286 0.4808044E-01 5.926967 
1 1 1   10    6    3 o   82.230   3.0418   66.923   4.9480 -6.287056 6.083617 
1 1 1   10    6    4 o  121.484   2.4450  147.677   5.9397 1.977455 4.890096 
1 1 1   10    6    5 o  223.860   3.9828  501.625   17.397 0.9701233 7.965520 
1 1 1   10    6    6 o  173.032   3.2054  302.428   10.588 -5.333603 6.410789 
1 1 1   10    6    7 o  144.758   2.7481  210.169   7.9034 -2.715576 5.496263 
1 1 1   10    6    8 o  278.153   4.1915  774.034   23.296 -7.998322 8.383038 
1 1 1   10    6    9 o  154.934   3.3934  239.752   10.204 -1.437943 6.786817 
1 1 1   10    6   10 o  151.460   3.4012  229.790   10.149 0.6163177 6.802353 
1 1 1   10    6   11 f  224.021   4.0366  503.439   17.657 -1.762589 8.073171 
1 1 1   10    6   12 o  373.941   5.1225  1403.57   38.012 3.488068 10.24495 
1 1 1   10    6   13 o   70.465   3.9763   49.727   5.5977 -0.8695221E-01 7.952652 
1 1 1   10    6   14 o  405.618   6.5954  1659.67   52.891 -13.29907 13.19085 
1 1 1   10    6   15 o  173.950   3.5255  302.794   12.238 15.94785 7.050945 
1 1 1   10    6   16 o  191.520   3.2203  366.855   12.249 -2.052475 6.440638 
1 1 1   10    6   17 o  222.147   3.6853  494.312   16.368 -7.699356 7.370612 
1 1 1   10    6   18 o  175.314   3.6926  308.339   12.942 -3.659073 7.385177 
1 1 1   10    6   19 o  263.559   4.8007  700.150   24.710 -2.385437 9.601434 
1 1 1   10    6   20 o  176.885   3.6287  314.328   12.827 -1.523865 7.257340 
1 1 1   10    6   21 o  151.541   3.6710  230.559   11.109 2.094772 7.341959 
1 1 1   10    6   22 o   85.421   6.5594   74.597   11.133 -9.245033 13.11889 
1 1 1   10    6   23 o   94.533   4.5763   90.406   8.6225 0.4672470 9.152545 
1 1 1   10    6   24 o  148.682   5.1324  223.159   15.262      ?      ? 
1 1 1   10    6   25 o   65.796   7.4178   47.255   8.4197 -6.791946 14.83565 
1 1 1   10    6   26 o  141.449   4.3431  202.415   11.141 2.235840 8.686193 
1 1 1   10    6   27 o  100.407   6.6921  100.788   13.308 18.86934 13.38420 
1 1 1   10    6   28 o   46.473   9.9443   24.021   9.3615 5.255482 19.88852 
1 1 1   10    6   29 o   51.174   8.8846   31.459   8.3403 -7.559826 17.76912 
1 1 1   10    6   30 o   20.559   7.4670 -28.2861   8.8108 12.61610 14.93398 
1 1 1   10    7    1 o  156.622   2.8100  246.286   8.7134 3.519440 5.620093 
1 1 1   10    7    2 f  251.608   3.3445  633.907   16.830 -1.669495 6.689051 
1 1 1   10    7    3 f  135.051   2.7249  182.357   7.2921 1.038116 5.449742 
1 1 1   10    7    4 o  116.190   2.6162  134.957   6.0747 -3.046242 5.232331 
1 1 1   10    7    5 o  112.616   2.6493  126.844   5.9652 -2.466072 5.298600 
1 1 1   10    7    6 o  174.952   2.7375  305.477   9.5609 7.408279 5.475080 
1 1 1   10    7    7 f  237.857   3.2398  566.273   15.411 -1.876083 6.479596 
1 1 1   10    7    8 o  270.913   3.5986  734.773   19.498 0.4454956 7.197273 
1 1 1   10    7    9 o  172.352   3.0256  296.814   10.326 -1.985046 6.051270 
1 1 1   10    7   10 f  251.682   4.4016  616.029   21.184 24.11572 8.803275 
1 1 1   10    7   11 o  160.602   3.1230  256.381   9.8169 -5.260666 6.246099 
1 1 1   10    7   12 o  203.794   3.0667  415.671   12.499 -0.8536682 6.133314 
1 1 1   10    7   13 o  302.103   4.6250  907.975   27.768 -19.04404 9.250069 
1 1 1   10    7   14 o  169.644   3.9450  288.545   13.368 10.27954 7.889930 
1 1 1   10    7   15 o   91.340   3.9596   84.920   7.0868 8.445473 7.919212 
1 1 1   10    7   16 o  111.744   3.6807  124.113   8.1916 -11.12537 7.361380 
1 1 1   10    7   17 o  307.519   4.3909  946.942   26.613 4.874298 8.781774 
1 1 1   10    7   18 o  129.979   3.1813  171.065   8.1889 -14.19933 6.362502 
1 1 1   10    7   19 o  103.845   3.3944  107.557   7.0237 -7.559952 6.788864 
1 1 1   10    7   20 o  158.743   4.1565  247.074   12.945 -19.74333 8.313068 
1 1 1   10    7   21 o  102.460   5.7435  106.299   11.756 -5.509247 11.48697 
1 1 1   10    7   22 o  106.802   4.2165  115.422   8.9934 -4.183311 8.433046 
1 1 1   10    7   23 o   75.956   5.5784   59.428   8.3954 -10.89009 11.15683 
1 1 1   10    7   24 o  106.212   4.4600  114.754   9.4434 -0.6027985 8.919983 
1 1 1   10    7   25 o   61.506   8.0051   40.670   9.2650 -0.6590462 16.01019 
1 1 1   10    7   27 o   36.879   11.075   6.3039   13.852 3.902477 22.14966 
1 1 1   10    7   28 o   68.933   9.1912   49.344   8.9753 3.514992 18.38241 
1 1 1   10    7   29 o  122.791   6.5354  152.294   16.050      ?      ? 
1 1 1   10    8    0 o   96.581   5.3103   90.847   9.4219 0.000000 0.000000 
1 1 1   10    8    1 o  229.067   3.6526  525.372   16.734 1.321793 7.305212 
1 1 1   10    8    2 o  200.975   3.1950  403.825   12.652 1.319580 6.390069 
1 1 1   10    8    3 o  191.200   3.1350  366.422   11.826 -1.706802 6.269932 
1 1 1   10    8    4 f   64.531   6.7278   53.365   6.6799 -33.89180 13.45570 
1 1 1   10    8    5 f  333.190   4.2866  1111.91   28.563 1.635284 8.573192 
1 1 1   10    8    6 o  130.503   2.9930  169.414   7.7259 5.129227 5.986097 
1 1 1   10    8    7 o  192.463   3.2025  370.589   12.204 -0.7385254 6.404954 
1 1 1   10    8    8 f  569.057   7.6824  3257.58   86.546 0.4470215 15.36472 
1 1 1   10    8    9 o  214.077   3.3902  460.255   14.451 -8.346649 6.780499 
1 1 1   10    8   10 o  195.497   3.2707  381.517   12.669 3.834244 6.541476 
1 1 1   10    8   11 o  137.682   6.6256  190.008   18.244      ?      ? 
1 1 1   10    8   12 o  109.061   3.8852  117.795   8.3656 -24.70148 7.770368 
1 1 1   10    8   13 o  309.277   4.1109  958.763   25.428 -1.144073 8.221763 
1 1 1   10    8   14 o  217.788   3.8687  475.293   16.846 -4.931259 7.737395 
1 1 1   10    8   15 o  219.992   4.0075  488.759   16.906 -5.932465 8.015064 
1 1 1   10    8   16 o   51.572   8.1748   36.141   8.7609 -34.64259 16.34967 
1 1 1   10    8   17 o   89.599   4.6014   79.297   7.8432 4.917503 9.202901 
1 1 1   10    8   18 f   89.985   6.4777   98.471   9.0376 -33.05810 12.95540 
1 1 1   10    8   19 o  147.341   3.3048  217.908   9.4406 -0.9419250E-01 6.609536 
1 1 1   10    8   20 o   47.071   5.7017   13.130   6.7495 -58.38964 11.40346 
1 1 1   10    8   21 o   59.233   4.7006   36.160   5.3651 4.488194 9.401165 
1 1 1   10    8   22 f   40.906   5.7479   18.545   4.3680 9.480427 11.49582 
1 1 1   10    8   23 o   58.936   7.4019   36.704   8.5212 7.469616 14.80376 
1 1 1   10    8   24 o   83.961   9.6592   83.817   12.737 17.96348 19.31835 
1 1 1   10    8   25 o   30.948   13.498  -1.8062   15.719      ?      ? 
1 1 1   10    8   26 o   81.942   7.4387   74.355   12.122 -2.103767 14.87748 
1 1 1   10    8   27 o   90.565   9.8117  102.005   12.119 -21.78230 19.62334 
1 1 1   10    8   28 o   20.325   10.030 -30.9540   14.844      ?      ? 
1 1 1   10    9    0 o   25.859   10.849   7.6425   9.6058 0.000000 0.000000 
1 1 1   10    9    1 f  117.791   3.0447  138.878   7.1725 0.7489777E-01 6.089465 
1 1 1   10    9    2 o  259.509   3.8130  674.830   19.585 1.121887 7.626080 
1 1 1   10    9    3 o  189.428   3.2293  357.374   12.040 -5.263580 6.458534 
1 1 1   10    9    4 o  141.919   2.8732  201.557   8.1548 -1.587250 5.746386 
1 1 1   10    9    5 o  194.721   3.3511  381.339   12.904 -6.472214 6.702201 
1 1 1   10    9    6 o  285.752   4.1538  817.095   23.432 1.733154 8.307593 
1 1 1   10    9    7 o  166.391   4.6191  270.292   14.972 -53.66321 9.238153 
1 1 1   10    9    8 o  287.991   7.5824  831.762   43.673      ?      ? 
1 1 1   10    9    9 o  122.536   3.8619  151.264   9.4077 8.563110 7.723756 
1 1 1   10    9   10 o  253.721   7.3269  646.010   37.180      ?      ? 
1 1 1   10    9   11 o  138.790   3.4074  193.703   9.4046 -6.029160 6.814713 
1 1 1   10    9   12 o  228.405   3.7132  522.925   16.691 -0.6422424E-01 7.426308 
1 1 1   10    9   13 o  326.999   4.6636  1075.90   30.409 -24.84744 9.327295 
1 1 1   10    9   14 o  156.936   3.5068  243.023   10.724 10.58749 7.013665 
1 1 1   10    9   15 o  102.516   3.9146  105.438   8.0125 1.504784 7.829224 
1 1 1   10    9   16 o   87.509   4.2461   78.037   7.2825 20.13251 8.492193 
1 1 1   10    9   17 o   81.331   5.6817   68.436   8.9896 -19.79962 11.36330 
1 1 1   10    9   18 o  156.801   3.3775  249.169   10.362 7.309113 6.754927 
1 1 1   10    9   19 o   38.208   9.9789   12.623   9.5236 1.803589 19.95776 
1 1 1   10    9   20 o   39.050   8.7438   15.452   9.0740 -19.24328 17.48765 
1 1 1   10    9   21 o   45.054   6.6858   24.405   5.5554 17.88693 13.37153 
1 1 1   10    9   22 o   35.749   7.4659   13.881   5.5227 3.028057 14.93189 
1 1 1   10    9   23 o   73.225   4.0824   56.894   5.6501 12.35581 8.164850 
1 1 1   10    9   24 o   35.415   7.5825 -13.2966   5.4502 -49.13420 15.16509 
1 1 1   10    9   25 o   77.179   9.0808   70.871   13.294 -24.36248 18.16153 
1 1 1   10    9   26 o   47.504   8.2221   26.439   8.6327 -25.15548 16.44411 
1 1 1   10   10    0 o   69.612   9.0270   50.721   11.065 0.000000 0.000000 
1 1 1   10   10    1 o  360.669   4.6603  1301.53   33.577 -10.71786 9.320546 
1 1 1   10   10    2 o  144.297   4.9371  208.575   14.243 -4.889297 9.874249 
1 1 1   10   10    3 o  324.717   4.9512  1039.21   31.761 33.58871 9.902325 
1 1 1   10   10    4 o  177.608   4.4037  316.093   15.642 2.500488 8.807312 
1 1 1   10   10    5 o   87.992   5.3037   78.620   9.0957 24.43221 10.60735 
1 1 1   10   10    6 o  124.219   4.5627  137.441   10.384 -34.11107 9.125300 
1 1 1   10   10    7 f  158.902   4.1616  230.556   12.539 45.35814 8.323261 
1 1 1   10   10    8 o  105.350   5.8049  117.294   10.100 -10.23149 11.60975 
1 1 1   10   10    9 o  266.488   4.7816  707.433   23.322 4.624268 9.563252 
1 1 1   10   10   10 o  123.662   3.8245  150.073   9.3572 19.38870 7.648907 
1 1 1   10   10   11 o  106.556   4.0264  115.074   8.4757 9.407455 8.052836 
1 1 1   10   10   12 o  165.979   3.4428  275.708   11.377 -3.235809 6.885538 
1 1 1   10   10   13 f  162.292   3.3486  264.589   10.792 2.180481 6.697237 
1 1 1   10   10   14 o  148.530   3.3484  221.503   9.8818 1.160553 6.696821 
1 1 1   10   10   15 f  126.529   3.7976  163.078   9.4714 21.04863 7.595191 
1 1 1   10   10   16 o   59.102   6.3275   36.020   6.8584 1.315506 12.65510 
1 1 1   10   10   17 o   93.930   5.0084   88.252   8.7390 -1.903236 10.01680 
1 1 1   10   10   18 o   32.010   8.2526   8.5550   6.3886 -5.558178 16.50522 
1 1 1   10   10   19 o   55.036   6.7811   33.159   6.5588 7.836006 13.56217 
1 1 1   10   10   20 o   73.417   8.1603   52.039   7.6366 -5.770958 16.32055 
1 1 1   10   10   21 o   80.492   6.8896   79.935   8.5424 31.25119 13.77921 
1 1 1   10   10   22 o   33.054   7.9956   10.911   6.8607 10.48483 15.99128 
1 1 1   10   10   23 o   58.240   11.911   35.975   13.395      ?      ? 
1 1 1   10   10   24 o   47.321   6.4479   23.717   5.7389 -0.5712128E-01 12.89587 
1 1 1   10   10   25 o   96.177   3.4696   94.339   6.6578 8.323761 6.939124 
1 1 1   10   11    0 o  112.279   7.1815  129.838   15.841 0.000000 0.000000 
1 1 1   10   11    1 f  126.070   3.5357  159.320   8.9058 -6.714340 7.071432 
1 1 1   10   11    2 o  190.165   3.2772  362.024   12.458 -8.118622 6.554396 
1 1 1   10   11    3 o  209.024   4.0757  441.997   16.276 6.758636 8.151448 
1 1 1   10   11    4 o  278.954   4.7288  783.159   24.941 2.708191 9.457633 
1 1 1   10   11    5 o   87.573   5.0012   78.404   8.4698 6.901054 10.00235 
1 1 1   10   11    6 o  138.365   5.2340  200.552   13.849 -28.22092 10.46803 
1 1 1   10   11    7 o  195.452   4.2503  386.768   16.450 19.03265 8.500677 
1 1 1   10   11    8 o  269.677   4.0600  731.437   21.792 7.953918 8.120073 
1 1 1   10   11    9 o  267.000   4.6629  721.307   23.668 6.337677 9.325783 
1 1 1   10   11   10 o  132.539   3.3435  176.112   8.8594 -1.954361 6.686912 
1 1 1   10   11   11 o  116.403   3.5337  135.923   8.2238 -0.9300385 7.067410 
1 1 1   10   11   12 o   74.258   5.7864   56.482   8.3021 -4.350105 11.57273 
1 1 1   10   11   13 o   67.852   6.5621   45.466   8.4344 5.217018 13.12413 
1 1 1   10   11   14 o  142.227   3.2475  202.732   9.2264 -6.144379 6.495032 
1 1 1   10   11   15 o  103.870   3.8020  108.460   7.8888 0.2423935 7.603967 
1 1 1   10   11   16 o  108.883   3.4899  118.817   7.5667 -5.740990 6.979867 
1 1 1   10   11   17 o   85.335   5.4313   80.044   7.9281 15.08069 10.86258 
1 1 1   10   11   18 o   71.620   5.2929   53.848   7.2846 9.627800 10.58588 
1 1 1   10   11   19 o   54.161   6.5812   30.608   6.9033 -12.39409 13.16241 
1 1 1   10   11   20 o   44.572   8.0283   21.931   7.2426 8.388893 16.05657 
1 1 1   10   11   21 o  113.768   4.3265  130.269   9.4656 -4.932320 8.652927 
1 1 1   10   11   22 o   45.948   10.982   22.115   11.768 -1.572578 21.96359 
1 1 1   10   11   23 o  100.459   4.4218  104.103   8.6692 2.200157 8.843602 
1 1 1   10   11   24 f   53.295   7.1756   30.506   6.8876 -0.1537170 14.35119 
1 1 1   10   11   25 o   65.958   12.633   46.484   16.070      ?      ? 
1 1 1   10   12    0 o  257.772   6.5478  654.877   30.740 0.000000 0.000000 
1 1 1   10   12    1 o  208.395   3.8427  433.280   15.964 -13.80878 7.685376 
1 1 1   10   12    2 o  232.819   3.7355  545.426   17.233 -5.862045 7.470992 
1 1 1   10   12    3 o  149.245   3.5244  225.798   10.358 -10.92963 7.048887 
1 1 1   10   12    4 o  127.971   3.3628  163.900   8.5967 4.762329 6.725581 
1 1 1   10   12    5 o   76.209   4.9542   58.561   7.5161 1.833382 9.908448 
1 1 1   10   12    6 o  112.818   3.5256  127.743   7.9530 -2.075127 7.051250 
1 1 1   10   12    7 o   97.100   3.8391   94.685   7.4528 -2.812775 7.678135 
1 1 1   10   12    8 o  150.936   3.2056  228.321   9.6684 2.511078 6.411152 
1 1 1   10   12    9 o   84.757   4.2236   72.220   7.1563 -2.279503 8.447173 
1 1 1   10   12   10 o   98.433   3.8022   97.302   7.4828 -2.512344 7.604492 
1 1 1   10   12   11 o  221.033   3.3872  490.712   14.973 -1.550003 6.774389 
1 1 1   10   12   12 o  147.170   4.7878  218.654   14.055 -12.89464 9.575654 
1 1 1   10   12   13 o   78.288   5.0739   61.302   7.8243 -4.738274 10.14775 
1 1 1   10   12   14 o  125.092   3.3942  157.644   8.4867 4.149742 6.788309 
1 1 1   10   12   15 o   41.285   9.0162   18.113   8.2216 -3.221767 18.03238 
1 1 1   10   12   16 o   58.894   7.1504   36.133   8.1182 2.008595 14.30072 
1 1 1   10   12   17 o   75.158   5.3115   57.284   7.9435 7.152420 10.62308 
1 1 1   10   12   18 o   64.505   5.4105   42.842   6.9367 1.475742 10.82106 
1 1 1   10   12   19 o  172.499   3.6768  299.980   12.536 12.20135 7.353527 
1 1 1   10   12   20 o   63.322   8.3754   45.602   11.021 54.60860 16.75070 
1 1 1   10   12   21 o   37.768   8.6425   15.073   7.5480 -9.459206 17.28490 
1 1 1   10   12   22 o   71.984   5.7834   55.638   8.0803 11.55173 11.56686 
1 1 1   10   12   24 o   19.572   6.5824 -12.4908   7.4587 4.085306 13.16476 
1 1 1   10   13    0 o  124.801   6.0704  160.120   13.919 0.000000 0.000000 
1 1 1   10   13    1 o  147.616   3.1953  218.556   9.4320 -3.472412 6.390682 
1 1 1   10   13    2 o  103.882   3.6279  108.406   7.5288 -0.2154694 7.255742 
1 1 1   10   13    3 o   90.364   4.7536   83.724   8.1805 -5.644447 9.507160 
1 1 1   10   13    4 o   45.111   8.6556   20.688   8.1917 15.27429 17.31117 
1 1 1   10   13    5 o  156.018   3.0681  243.923   9.5654 3.913284 6.136191 
1 1 1   10   13    6 o   28.406   7.8049   2.3008   6.8385 13.35920 15.60978 
1 1 1   10   13    7 o   84.284   4.2398   71.505   7.1402 5.145531 8.479605 
1 1 1   10   13    8 o   24.443   7.5154  -1.6793   6.9086 -2.804136 15.03085 
1 1 1   10   13    9 o  147.716   4.0241  220.008   11.841 -4.711258 8.048265 
1 1 1   10   13   10 o   89.513   4.2299   80.833   7.5597 -0.5821381 8.459735 
1 1 1   10   13   11 o   88.891   4.0894   79.581   7.2504 -3.194611 8.178741 
1 1 1   10   13   12 o   59.385   6.1882   35.274   7.1278 -5.210457 12.37638 
1 1 1   10   13   13 o  107.191   3.6764  116.171   7.8706 3.976532 7.352700 
1 1 1   10   13   14 o   65.126   9.8844   53.620   9.4539 -19.62530 19.76879 
1 1 1   10   13   15 o   88.579   5.1548   80.599   9.0782 -10.83952 10.30964 
1 1 1   10   13   16 o   32.653   8.6765   8.7575   7.6467 -6.038881 17.35299 
1 1 1   10   13   17 o   66.433   7.0633   48.696   8.9176 16.56525 14.12665 
1 1 1   10   13   18 o  334.079   7.0552  841.269   39.655 -172.0000 14.11048 
1 1 1   10   13   19 o   32.899   9.1369   9.1348   9.2377 -7.944569 18.27375 
1 1 1   10   13   20 o   50.852   8.6588   30.647   9.0695 -17.29014 17.31763 
1 1 1   10   13   21 o   32.289   9.3681   6.4301   10.372 -7.861904 18.73611 
1 1 1   10   13   22 o   68.041   9.5096   54.254   11.048 17.48751 19.01912 
1 1 1   10   14    0 o   86.218   8.0937   68.519   12.445 0.000000 0.000000 
1 1 1   10   14    1 o  124.339   3.6502  147.755   8.7938 24.07662 7.300459 
1 1 1   10   14    2 o   63.156   6.3515   40.044   7.6652 2.096027 12.70299 
1 1 1   10   14    3 o   55.226   7.2944   33.476   7.6166 17.57797 14.58883 
1 1 1   10   14    4 o  182.687   3.9529  326.782   13.468 -13.49287 7.905810 
1 1 1   10   14    5 o  123.316   4.6883  150.433   11.394 -16.37939 9.376500 
1 1 1   10   14    6 o   90.679   4.0482   83.036   7.3397 0.5965652 8.096467 
1 1 1   10   14    7 o   45.250   8.4051   15.860   9.3814 37.38893 16.81028 
1 1 1   10   14    8 o  172.654   3.5975  300.597   12.414 0.9255829 7.194904 
1 1 1   10   14    9 o   60.880   6.4963   38.158   7.7831 0.1433067 12.99268 
1 1 1   10   14   10 o   48.228   7.5027   25.130   7.0331 2.296410 15.00537 
1 1 1   10   14   11 o  150.909   3.5874  230.500   10.758 -3.240845 7.174765 
1 1 1   10   14   12 o   35.884   8.8801   12.461   7.8809 -4.677498 17.76011 
1 1 1   10   14   13 o   92.164   4.5266   86.395   8.2838 -1.573540 9.053177 
1 1 1   10   14   14 o   94.544   5.0530   92.240   8.9128 1.416222 10.10604 
1 1 1   10   14   15 o   52.836   9.3490   30.650   9.8539 -4.204655 18.69802 
1 1 1   10   14   17 o   48.125   8.2225   25.941   7.8907 10.00917 16.44500 
1 1 1   10   14   18 o   35.569   8.8229   10.933   8.2510 15.89464 17.64584 
1 1 1   10   14   19 o   46.966   9.3277   26.577   9.1014 4.870842 18.65545 
1 1 1   10   14   20 o   47.019   11.502   21.877   13.064 0.1817131 23.00494 
1 1 1   10   15    0 o   87.261   6.8678   80.531   11.241 0.000000 0.000000 
1 1 1   10   15    1 o   57.471   6.5615   34.537   7.3553 6.370125 13.12294 
1 1 1   10   15    2 o  113.873   3.7693  130.326   8.5456 -5.799149 7.538571 
1 1 1   10   15    3 o   49.563   7.4117   27.646   7.2054 18.84066 14.82350 
1 1 1   10   15    4 o   50.540   7.4218   27.443   7.2582 -2.751858 14.84352 
1 1 1   10   15    5 o  126.570   4.2144  162.723   9.9822 1.543327 8.428727 
1 1 1   10   15    6 o   33.167   8.7643   9.4503   7.8969 4.370142 17.52859 
1 1 1   10   15    7 o   60.319   7.3881   36.275   8.4466 -14.19986 14.77617 
1 1 1   10   15    8 o   97.633   4.8518   97.075   9.4610 -3.763924 9.703599 
1 1 1   10   15    9 o   79.323   5.1330   64.499   8.1409 2.097679 10.26592 
1 1 1   10   15   10 o   58.163   7.0875   35.941   8.0612 -6.077557 14.17495 
1 1 1   10   15   11 o   45.528   9.6035   23.912   10.075 -17.54748 19.20704 
1 1 1   10   15   12 o   63.106   10.474   42.096   13.293 25.67253 20.94815 
1 1 1   10   15   14 o   68.873   7.9505   49.663   9.6969 -6.240974 15.90090 
1 1 1   10   15   15 o   60.189   7.5114   39.650   8.7474 0.3275795 15.02284 
1 1 1   10   15   16 o   63.924   7.3486   43.454   8.9982 -19.21008 14.69727 
1 1 1   10   15   18 o   84.724   7.1660   72.499   11.938 -11.17942 14.33197 
1 1 1   10   16    0 o   41.050   12.653   26.447   13.017 0.000000 0.000000 
1 1 1   10   16    1 o   29.877   8.4253   3.2878   7.9644 -12.01983 16.85054 
1 1 1   10   16    2 o   28.699   8.5499   2.4577   8.3805 0.5545979 17.09976 
1 1 1   10   16    3 o   53.456   7.4342   30.040   7.7596 14.64342 14.86840 
1 1 1   10   16    4 o   62.425   10.002   43.307   9.5001 -3.646866 20.00314 
1 1 1   10   16    5 o   42.745   8.9420   20.791   8.1124 3.002998 17.88397 
1 1 1   10   16    6 o   57.511   10.438   35.545   11.517 12.71741 20.87524 
1 1 1   10   16    7 o   66.468   9.3685   40.426   11.832 36.91796 18.73702 
1 1 1   10   16    8 o  124.159   6.7575  155.395   16.780      ?      ? 
1 1 1   10   16    9 o   56.105   9.7571   36.294   10.655 -8.136284 19.51415 
1 1 1   10   16   10 o  139.773   4.1748  200.965   11.639 -13.46613 8.349598 
1 1 1   10   16   11 o   99.440   5.1456  100.056   10.098 -14.36798 10.29115 
1 1 1   10   16   12 o   31.146   9.5754   1.2499   11.186 -1.366764 19.15089 
1 1 1   10   16   13 o   39.464   9.4498   17.413   9.3315 10.21785 18.89960 
1 1 1   10   16   15 o   60.238   9.7439   38.814   11.449 9.770000 19.48784 
1 1 1   10   17    0 o   21.468   11.320 -38.7692   13.498 0.000000 0.000000 
1 1 1   10   17    1 o   46.622   11.115   26.093   11.526 -4.876484 22.22938 
1 1 1   10   17    2 o   52.959   11.771   33.722   13.868 -11.89513 23.54173 
1 1 1   10   17    3 o   35.632   10.890   2.1909   11.085 16.99432 21.78042 
1 1 1   10   17    4 o   96.515   4.8285   95.977   9.3002 -5.335800 9.656908 
1 1 1   10   17    5 o   52.636   8.3206   31.583   8.5685 8.690491 16.64128 
1 1 1   10   17    6 o   47.030   8.9254   25.370   8.5727 -5.782654 17.85086 
1 1 1   10   17    7 o   56.543   8.2397   36.033   8.7145 4.907104 16.47932 
1 1 1   10   17    8 o   66.262   6.4220   46.078   8.4417 -10.84301 12.84393 
1 1 1   10   17    9 o   42.369   9.4233   21.466   8.9286 2.851044 18.84668 
1 1 1   10   17   10 o   20.316   7.0057 -10.7455   9.3326 2.360846 14.01131 
1 1 1   10   17   11 o   49.194   10.705   25.461   11.287 1.799290 21.41042 
1 1 1   10   17   12 o   29.532   9.6432   31.430   11.943 -2.600029 19.28630 
1 1 1   10   18    0 f   20.836   10.610 -30.7558   19.098 0.000000 0.000000 
1 1 1   10   18    1 o   25.762   8.9096 -24.3080   12.774 -7.575718 17.81919 
1 1 1   10   18    2 o   58.845   10.807   39.925   12.637 5.234455 21.61445 
1 1 1   10   18    3 o   42.898   10.387   16.093   12.491 19.99626 20.77373 
1 1 1   10   18    4 o   58.902   10.418   38.758   12.621 18.96310 20.83627 
1 1 1   10   18    5 o  130.129   8.7847  173.408   22.863      ?      ? 
1 1 1   10   18    6 o   81.708   13.326   82.618   21.777      ?      ? 
1 1 1   11    0    1 o   19.804   7.2235   5.1987   4.0089 0.000000 0.000000 
1 1 1   11    0    2 o  195.993   3.7436  385.293   14.648 0.000000 0.000000 
1 1 1   11    0    3 o  241.286   4.4524  584.119   21.448 0.000000 0.000000 
1 1 1   11    0    4 o  270.104   6.9473  732.415   37.475 0.000000 0.000000 
1 1 1   11    0    5 o   47.654   6.2883   20.815   4.9245 0.000000 0.000000 
1 1 1   11    0    6 o   9.8008   7.0419  -7.9718   5.8944 0.000000 0.000000 
1 1 1   11    0    7 o  120.023   3.7710  144.576   9.0325 0.000000 0.000000 
1 1 1   11    0    8 o  283.568   5.9674  806.314   33.810 0.000000 0.000000 
1 1 1   11    0    9 o  138.724   3.9057  193.041   10.373 0.000000 0.000000 
1 1 1   11    0   10 f  147.570   4.0410  220.353   11.517 0.000000 0.000000 
1 1 1   11    0   11 o   78.856   4.5485   62.319   6.4935 0.000000 0.000000 
1 1 1   11    0   12 o  292.459   6.5337  856.482   35.962 0.000000 0.000000 
1 1 1   11    0   13 o  294.667   7.7665  859.474   44.882 0.000000 0.000000 
1 1 1   11    0   15 o  384.432   9.8292  1490.15   75.305 0.000000 0.000000 
1 1 1   11    0   16 o  387.906   8.6302  1526.40   63.597 0.000000 0.000000 
1 1 1   11    0   17 o  383.636   10.017  1456.35   75.528 0.000000 0.000000 
1 1 1   11    0   18 o  279.038   6.7430  776.831   34.645 0.000000 0.000000 
1 1 1   11    0   19 o   84.864   11.875   84.252   16.754 0.000000 0.000000 
1 1 1   11    0   20 o  259.467   5.1165  676.263   26.505 0.000000 0.000000 
1 1 1   11    0   21 o   67.576   11.594   50.701   12.350 0.000000 0.000000 
1 1 1   11    0   22 o   88.149   6.2509   80.449   10.601 0.000000 0.000000 
1 1 1   11    0   23 o  190.740   5.9193  361.173   20.221 0.000000 0.000000 
1 1 1   11    0   24 o  148.348   9.5140  224.758   27.989 0.000000 0.000000 
1 1 1   11    0   25 o   84.953   9.2216   74.505   11.903 0.000000 0.000000 
1 1 1   11    0   26 o   23.108   11.059  -7.5167   14.022 0.000000 0.000000 
1 1 1   11    0   27 o  211.961   5.6955  460.858   23.027 0.000000 0.000000 
1 1 1   11    0   28 o   53.174   11.557   38.202   11.109 0.000000 0.000000 
1 1 1   11    0   29 o   23.918   11.015   5.6524   12.582 0.000000 0.000000 
1 1 1   11    0   30 o   49.267   12.473   32.582   10.308 0.000000 0.000000 
1 1 1   11    0   31 o  147.653   6.6023  230.714   17.488 0.000000 0.000000 
1 1 1   11    1    0 o  108.978   3.3784  123.240   6.4341 0.000000 0.000000 
1 1 1   11    1    1 o  167.321   2.3750  280.146   7.9467 -2.316559 4.749969 
1 1 1   11    1    2 o  187.921   2.6424  354.756   9.6732 2.951508 5.284758 
1 1 1   11    1    3 o   63.237   2.7262   39.756   3.3202 -1.600803 5.452442 
1 1 1   11    1    4 o  213.453   3.0677  456.061   12.958 -0.7102051 6.135453 
1 1 1   11    1    5 o  190.544   3.0723  363.526   11.705 -2.130859 6.144640 
1 1 1   11    1    6 o  208.786   3.0570  437.347   12.656 -2.558456 6.113941 
1 1 1   11    1    7 o  402.471   5.0506  1627.16   40.655 0.3701782 10.10127 
1 1 1   11    1    8 o  344.435   4.7103  1189.53   32.066 -1.747925 9.420644 
1 1 1   11    1    9 o   96.767   3.1026   93.961   5.8209 0.7234344 6.205284 
1 1 1   11    1   10 o  108.510   2.8383  117.690   6.1449 -2.562691 5.676569 
1 1 1   11    1   11 o   68.022   3.7285   46.932   4.8386 -3.001358 7.456976 
1 1 1   11    1   12 o  126.836   3.1096  160.058   7.7857 4.600540 6.219273 
1 1 1   11    1   13 o  313.114   5.1575  988.940   32.077 21.93555 10.31491 
1 1 1   11    1   14 o  305.489   4.2849  931.273   25.829 6.767487 8.569729 
1 1 1   11    1   15 o  525.692   7.0949  2779.86   73.962 -3.778687 14.18976 
1 1 1   11    1   16 o  378.618   5.2269  1418.82   38.623 21.31000 10.45373 
1 1 1   11    1   17 o  434.871   6.7492  1876.70   54.593 13.74765 13.49840 
1 1 1   11    1   18 o  349.209   9.1246  1226.16   63.728      ?      ? 
1 1 1   11    1   19 o  188.030   3.7292  341.478   12.966 17.33852 7.458460 
1 1 1   11    1   20 o  206.433   3.2913  429.380   13.240 -5.442673 6.582576 
1 1 1   11    1   21 o   88.333   5.3019   79.070   9.2752 -14.57211 10.60380 
1 1 1   11    1   22 o  216.439   3.9420  461.743   14.922 8.039948 7.884061 
1 1 1   11    1   23 o   79.737   5.8325   65.537   8.8871 5.510933 11.66504 
1 1 1   11    1   24 o   61.050   6.1579   37.957   7.4792 -7.752274 12.31574 
1 1 1   11    1   25 o   50.470   7.3889   28.775   7.1251 -16.28696 14.77776 
1 1 1   11    1   26 o   77.649   4.4952   60.709   6.7127 1.897926 8.990368 
1 1 1   11    1   27 o   97.567   4.1555   94.969   7.9395 -7.985214 8.311008 
1 1 1   11    1   28 o   66.241   8.3436   51.014   10.280 36.35241 16.68710 
1 1 1   11    1   29 o  143.175   3.7816  211.978   10.788 12.88153 7.563242 
1 1 1   11    1   30 o   36.310   8.3129   13.882   6.7722 7.604935 16.62578 
1 1 1   11    1   31 o  155.259   4.3058  254.158   12.726 -30.56833 8.611558 
1 1 1   11    2    0 o  193.908   3.7467  377.273   14.506 0.000000 0.000000 
1 1 1   11    2    1 o  135.543   2.1786  183.851   5.9057 0.7350464 4.357223 
1 1 1   11    2    2 o  102.549   2.3257  105.155   4.7175 0.6296692 4.651473 
1 1 1   11    2    3 o  233.590   3.1590  547.987   14.337 -2.818619 6.317998 
1 1 1   11    2    4 o  300.069   3.9442  902.932   22.929 -0.5437927 7.888304 
1 1 1   11    2    5 o  164.564   2.6291  270.284   8.5315 3.059296 5.258235 
1 1 1   11    2    6 o  170.351   3.3096  245.105   9.6175 51.03838 6.619246 
1 1 1   11    2    7 o  238.929   3.7551  568.273   15.980 3.323990 7.510169 
1 1 1   11    2    8 o   73.453   3.8038   52.487   5.4995 -12.69276 7.607516 
1 1 1   11    2    9 o  191.580   3.5332  369.986   13.360 7.445999 7.066387 
1 1 1   11    2   10 o  185.799   3.8592  331.262   13.913 31.36314 7.718331 
1 1 1   11    2   11 o  400.083   5.4357  1603.31   42.934 4.683380 10.87135 
1 1 1   11    2   12 o   78.093   3.1146   61.057   4.8632 -0.8704529 6.229223 
1 1 1   11    2   13 o  349.904   4.7927  1225.03   33.142 3.321686 9.585299 
1 1 1   11    2   14 o  258.607   4.3076  645.769   20.067 20.87115 8.615279 
1 1 1   11    2   15 o  181.913   3.2173  333.309   11.011 -3.408417 6.434547 
1 1 1   11    2   16 o  451.547   5.8669  2040.53   51.166 3.982452 11.73389 
1 1 1   11    2   17 o  184.770   3.0451  341.683   11.015 0.1997070 6.090139 
1 1 1   11    2   18 o   50.189   7.2923   26.177   7.0707 -4.873940 14.58455 
1 1 1   11    2   19 o  406.175   5.3524  1646.22   41.766 9.752502 10.70477 
1 1 1   11    2   20 o  409.115   5.3863  1676.90   42.482 5.672089 10.77255 
1 1 1   11    2   21 o  106.509   4.1781  113.371   8.8309 18.68058 8.356221 
1 1 1   11    2   22 o  104.596   4.0154  110.698   8.3223 5.560966 8.030791 
1 1 1   11    2   23 o  157.331   3.2457  248.578   10.207 -7.515198 6.491353 
1 1 1   11    2   24 o  147.648   3.2463  227.496   9.1951 -26.37254 6.492528 
1 1 1   11    2   25 o   63.928   4.7515   41.917   5.9272 -3.607830 9.502905 
1 1 1   11    2   26 o   83.557   3.5689   70.372   5.9569 3.008461 7.137885 
1 1 1   11    2   27 o  125.757   2.9953  160.299   7.4767 -5.846443 5.990508 
1 1 1   11    2   28 o   91.926   7.3719  108.103   10.257 -51.34556 14.74383 
1 1 1   11    2   29 o   27.816   7.5220   6.1730   6.0457 -5.159830 15.04401 
1 1 1   11    2   30 o  162.869   3.3296  270.130   10.807 -1.714142 6.659187 
1 1 1   11    2   31 o  223.387   6.1757  503.868   27.592      ?      ? 
1 1 1   11    3    0 o  257.194   4.7294  663.529   24.279 0.000000 0.000000 
1 1 1   11    3    1 o  271.344   3.4857  737.403   18.911 4.295349 6.971500 
1 1 1   11    3    2 o  143.429   2.2861  205.871   6.5569 1.048462 4.572173 
1 1 1   11    3    3 o  182.643   2.5709  333.980   9.3912 0.7267761E-01 5.141854 
1 1 1   11    3    4 o  413.707   5.1930  1720.02   42.961 4.283905 10.38595 
1 1 1   11    3    5 o  197.952   2.9586  392.911   11.604 1.754333 5.917120 
1 1 1   11    3    6 o  361.893   5.6092  1318.87   38.338 2.808502 11.21834 
1 1 1   11    3    7 f  187.318   3.0442  350.896   11.378 3.874649 6.088344 
1 1 1   11    3    8 o  201.716   3.2320  407.704   13.036 -0.5745544 6.464075 
1 1 1   11    3    9 o  152.833   3.2323  238.811   9.6656 -21.44553 6.464530 
1 1 1   11    3   10 f  166.534   3.1082  283.039   9.3055 -7.589233 6.216458 
1 1 1   11    3   11 o  459.665   5.9516  2120.90   52.928 -0.5852966 11.90324 
1 1 1   11    3   12 o  276.418   4.3053  768.355   21.493 -2.688995 8.610550 
1 1 1   11    3   13 o  173.044   3.3858  298.892   10.903 1.280350 6.771569 
1 1 1   11    3   14 o   71.809   4.4485   55.372   5.8238 -14.74902 8.897086 
1 1 1   11    3   15 o  207.398   3.1378  436.734   12.638 -13.58092 6.275524 
1 1 1   11    3   16 o  185.629   4.1899  344.872   15.555      ?      ? 
1 1 1   11    3   17 o  233.630   4.0217  529.503   15.936 13.71797 8.043346 
1 1 1   11    3   18 o   86.376   5.6125   71.220   9.3744 16.50403 11.22497 
1 1 1   11    3   19 o  537.842   9.6096  2913.94  103.369      ?      ? 
1 1 1   11    3   20 o  191.716   4.1667  369.249   15.541 -0.6172333 8.333306 
1 1 1   11    3   21 o  122.588   6.4970  151.139   15.929      ?      ? 
1 1 1   11    3   22 o  195.472   4.2239  389.490   16.212 -16.38344 8.447716 
1 1 1   11    3   23 o  112.198   6.9441  138.659   11.089 -14.92020 13.88826 
1 1 1   11    3   24 o  122.244   4.5891  157.567   10.239 -13.95965 9.178122 
1 1 1   11    3   25 o  128.396   5.4593  162.476   12.212 7.921768 10.91866 
1 1 1   11    3   26 o   56.121   10.249   32.152   11.418 21.94801 20.49840 
1 1 1   11    3   27 o   67.327   8.1093   55.759   8.6832 -21.54441 16.21865 
1 1 1   11    3   28 o  225.887   4.9256  512.430   22.252      ?      ? 
1 1 1   11    3   29 o  107.656   5.1740  121.285   11.006 -11.62739 10.34803 
1 1 1   11    3   30 o   75.919   6.2233   61.160   9.3524 2.637451 12.44652 
1 1 1   11    4    0 o   61.991   6.0633   39.649   7.3570 0.000000 0.000000 
1 1 1   11    4    1 o  258.566   3.3548  669.900   17.348 -1.662415 6.709550 
1 1 1   11    4    2 o  151.913   2.3731  230.838   7.2072 -3.808426 4.746269 
1 1 1   11    4    3 o  349.732   4.7692  1230.80   33.153 8.546204 9.538390 
1 1 1   11    4    4 o  166.265   2.4938  276.714   8.2924 -0.1450806 4.987518 
1 1 1   11    4    5 o  329.565   5.1197  1092.02   31.885 1.604858 10.23938 
1 1 1   11    4    6 o  163.363   3.0841  270.491   9.5458 6.302567 6.168134 
1 1 1   11    4    7 o  110.955   3.0937  122.205   6.3497 -2.540672 6.187497 
1 1 1   11    4    8 o  245.348   3.9880  605.285   18.552 -2.850250 7.976079 
1 1 1   11    4    9 o  404.082   5.5061  1638.23   43.996 0.9605103 11.01212 
1 1 1   11    4   10 o  241.161   3.7469  581.999   18.064 5.829071 7.493811 
1 1 1   11    4   11 o   87.286   5.3215   76.292   9.2899      ?      ? 
1 1 1   11    4   12 o  270.182   4.8480  560.945   20.092 100.6349 9.695969 
1 1 1   11    4   13 o  251.019   3.5388  634.327   17.183 -5.601822 7.077646 
1 1 1   11    4   14 o  138.678   2.9520  192.609   7.5354 -0.2750549 5.903953 
1 1 1   11    4   15 o   56.054   5.5370   29.678   5.3073 6.130592 11.07400 
1 1 1   11    4   16 o  305.303   4.7616  944.201   26.414 -7.913727 9.523275 
1 1 1   11    4   17 o  141.352   4.4566  203.853   12.362 -17.37131 8.913204 
1 1 1   11    4   18 o  312.154   5.3987  975.014   32.850 5.795532 10.79741 
1 1 1   11    4   19 o  376.495   8.0925  1411.19   51.427 9.574524 16.18507 
1 1 1   11    4   20 o  133.831   5.4017  180.265   11.375 -0.3340149 10.80341 
1 1 1   11    4   21 o  214.527   5.4453  468.951   18.407 -4.494675 10.89067 
1 1 1   11    4   22 o   64.866   7.9270   42.825   9.4727 2.683365 15.85391 
1 1 1   11    4   23 o   95.130   7.9874   91.691   15.197      ?      ? 
1 1 1   11    4   24 o  123.377   4.7084  157.656   11.183 -11.98340 9.416747 
1 1 1   11    4   25 o  159.371   4.3154  259.490   13.361 -6.289780 8.630782 
1 1 1   11    4   26 o   58.793   9.3558   40.551   10.077 -13.30458 18.71166 
1 1 1   11    4   27 o   38.825   8.7716   17.693   8.2445 -12.58931 17.54317 
1 1 1   11    4   28 o   60.268   8.3227   42.490   9.4650 -18.50880 16.64550 
1 1 1   11    4   29 f  109.786   5.2756  123.805   11.460 -22.68127 10.55128 
1 1 1   11    4   30 o   20.916   7.0210  -6.1730   7.8698 -0.5867023 14.04203 
1 1 1   11    5    0 o  140.682   4.0714  200.491   10.958 0.000000 0.000000 
1 1 1   11    5    1 o  126.471   3.0388  158.762   7.4727 4.662117 6.077673 
1 1 1   11    5    2 o  200.558   3.2117  402.335   12.870 6.477570 6.423384 
1 1 1   11    5    3 f  250.718   3.8110  630.128   19.108 2.647888 7.622072 
1 1 1   11    5    4 o  292.541   4.3506  856.157   25.395 12.51340 8.701179 
1 1 1   11    5    5 o  153.201   2.6580  235.734   8.0928 -4.819321 5.315975 
1 1 1   11    5    6 o  196.808   3.4618  382.837   12.598 6.601456 6.923620 
1 1 1   11    5    7 o  171.714   3.2020  294.257   10.367 1.612396 6.404073 
1 1 1   11    5    8 o  388.764   6.3803  1496.64   47.755 19.72586 12.76054 
1 1 1   11    5    9 o  138.388   3.0702  192.529   8.0364 -1.926407 6.140367 
1 1 1   11    5   10 o  307.279   4.8923  948.698   28.327 -2.543915 9.784645 
1 1 1   11    5   11 o  224.721   3.8993  501.764   16.205 4.422577 7.798646 
1 1 1   11    5   12 o  198.857   3.1452  395.646   12.346 0.5319977 6.290469 
1 1 1   11    5   13 o  365.553   4.6536  1338.57   34.009 5.788879 9.307173 
1 1 1   11    5   14 o  319.406   4.3179  1019.01   26.479 3.173584 8.635721 
1 1 1   11    5   15 o   32.756   6.7663   11.728   6.1963 -20.97549 13.53268 
1 1 1   11    5   16 o  243.692   4.8658  570.958   23.215 -56.05286 9.731580 
1 1 1   11    5   17 o  178.611   6.7203  320.253   24.006      ?      ? 
1 1 1   11    5   18 o  252.135   4.7524  639.720   23.575 3.770172 9.504706 
1 1 1   11    5   19 o   95.434   5.7302   95.742   10.330 -15.02103 11.46031 
1 1 1   11    5   20 o   79.670   6.3370   64.663   9.6871 -2.388000 12.67402 
1 1 1   11    5   21 o  197.909   3.7762  393.550   14.940 -0.6101532 7.552433 
1 1 1   11    5   22 o  186.124   4.2760  351.698   15.666 -10.61858 8.551935 
1 1 1   11    5   23 o  115.295   4.5021  134.719   9.6773 -0.8644028 9.004234 
1 1 1   11    5   24 o   90.561   5.4335   85.153   9.0179 -4.765915 10.86696 
1 1 1   11    5   25 o   71.098   7.0828   51.221   9.8717 9.303802 14.16562 
1 1 1   11    5   26 o   48.334   9.9318   24.986   9.7752 9.153748 19.86365 
1 1 1   11    5   28 o  130.462   5.2369  175.576   13.652 2.236038 10.47387 
1 1 1   11    5   29 o   25.029   8.1297  -5.6821   8.8837 2.766800 16.25933 
1 1 1   11    5   30 o  142.146   7.0939  204.856   20.168      ?      ? 
1 1 1   11    6    0 o   77.569   6.4661   61.501   9.8966 0.000000 0.000000 
1 1 1   11    6    1 o  191.308   3.5470  367.071   13.311 1.285782 7.093981 
1 1 1   11    6    2 o  272.663   4.5880  744.807   24.492 -1.051483 9.175943 
1 1 1   11    6    3 o  119.062   5.0821  141.982   12.102      ?      ? 
1 1 1   11    6    4 o  275.379   4.6401  758.227   24.950 3.340363 9.280169 
1 1 1   11    6    5 o  262.778   3.7386  693.213   19.547 6.084381 7.477252 
1 1 1   11    6    6 o  175.577   2.9112  308.098   10.154 -2.198013 5.822328 
1 1 1   11    6    7 o  345.177   4.7457  1195.17   32.499 2.644165 9.491322 
1 1 1   11    6    8 o   73.621   3.7358   54.161   5.4926 -2.691032 7.471564 
1 1 1   11    6    9 o  314.704   4.3863  991.012   27.309 -2.196228 8.772605 
1 1 1   11    6   10 o  232.111   3.5381  536.684   16.141 -6.074188 7.076256 
1 1 1   11    6   11 o  198.544   2.9782  393.940   11.807 5.059952 5.956414 
1 1 1   11    6   12 o  109.512   3.4982  120.210   7.4081 -0.5132370 6.996325 
1 1 1   11    6   13 o  304.906   4.0187  930.773   24.500 4.316864 8.037334 
1 1 1   11    6   14 o  260.773   3.5852  680.986   18.697 -2.921448 7.170327 
1 1 1   11    6   15 o  239.336   6.6588  574.508   31.874      ?      ? 
1 1 1   11    6   16 o  119.089   3.4439  142.017   8.1925 1.493484 6.887776 
1 1 1   11    6   17 o  257.931   3.9440  671.419   20.174 -16.24152 7.888058 
1 1 1   11    6   18 f  267.077   4.5844  710.576   22.455 5.401703 9.168825 
1 1 1   11    6   19 o  148.297   4.0402  221.419   11.927 4.075241 8.080426 
1 1 1   11    6   20 o   78.723   7.5197   73.277   9.8574 -32.28014 15.03944 
1 1 1   11    6   21 o  175.924   3.7345  311.355   13.130 -3.170395 7.469049 
1 1 1   11    6   22 o  222.974   3.9087  501.114   17.411 3.443481 7.817433 
1 1 1   11    6   23 o  112.954   4.0792  129.515   9.1717 -6.362694 8.158358 
1 1 1   11    6   24 o  118.193   4.8229  138.775   10.803 7.990471 9.645852 
1 1 1   11    6   25 o   87.373   5.9672   78.099   10.097 2.647148 11.93438 
1 1 1   11    6   26 o   50.424   15.152   29.267   16.505      ?      ? 
1 1 1   11    6   27 o   79.661   7.9604   57.725   10.194 27.76460 15.92073 
1 1 1   11    6   28 o   57.161   9.7999   38.605   10.644 -4.682594 19.59972 
1 1 1   11    6   29 o   14.387   7.2916 -33.3669   10.601      ?      ? 
1 1 1   11    7    0 o  236.263   5.6917  552.609   24.663 0.000000 0.000000 
1 1 1   11    7    1 o   45.571   6.9027   22.830   7.1707 -36.16161 13.80543 
1 1 1   11    7    2 o   66.946   5.5764   52.108   6.0709 -22.38420 11.15286 
1 1 1   11    7    3 o  339.545   4.3392  1155.01   29.467 -1.126434 8.678477 
1 1 1   11    7    4 o  254.907   3.4137  650.494   17.403 -1.076874 6.827325 
1 1 1   11    7    5 o  164.563   2.7555  271.023   9.0687 -1.750595 5.511090 
1 1 1   11    7    6 o  200.335   2.9308  401.640   11.742 0.8770447 5.861530 
1 1 1   11    7    7 o  254.906   3.4246  650.362   17.457 2.444336 6.849228 
1 1 1   11    7    8 o  196.615   2.9504  386.906   11.601 1.723572 5.900770 
1 1 1   11    7    9 o  336.580   4.6782  1135.56   31.168 0.5271301 9.356366 
1 1 1   11    7   10 o   83.734   3.8678   69.385   6.4334 8.555740 7.735526 
1 1 1   11    7   11 o   72.240   4.9921   50.820   7.0796 19.16147 9.984216 
1 1 1   11    7   12 o  240.356   6.6516  579.042   31.975      ?      ? 
1 1 1   11    7   13 o   90.001   4.2609   79.798   7.5735 -9.368729 8.521714 
1 1 1   11    7   14 o   39.985   7.2144   16.476   7.5349 -28.93202 14.42872 
1 1 1   11    7   15 o  194.223   3.5139  379.460   13.387 -3.934540 7.027844 
1 1 1   11    7   17 o   37.695   7.6969   14.705   6.1200 -1.691235 15.39380 
1 1 1   11    7   18 o  143.692   4.5356  211.803   12.389 -10.15288 9.071239 
1 1 1   11    7   19 o  112.588   3.2834  127.757   7.3590 6.279198 6.566799 
1 1 1   11    7   20 o   44.462   9.1425   20.685   8.6195 5.580616 18.28506 
1 1 1   11    7   21 o  129.918   3.9918  170.537   10.344 -4.256256 7.983542 
1 1 1   11    7   22 o   45.312   7.8441   21.644   7.9623 -26.00544 15.68825 
1 1 1   11    7   23 o   75.400   6.7500   59.691   9.8798 6.614487 13.49999 
1 1 1   11    7   24 o   61.540   8.6462   40.849   10.154 -6.415886 17.29239 
1 1 1   11    7   25 o   53.906   10.586   35.240   11.922 -7.581345 21.17226 
1 1 1   11    7   27 o   98.161   8.2209   99.162   15.335 19.18400 16.44186 
1 1 1   11    7   28 o   52.957   8.4282   45.748   10.358 -41.71144 16.85647 
1 1 1   11    7   29 o   16.438   8.1801 -23.7213   10.611      ?      ? 
1 1 1   11    8    0 o  368.058   8.1628  1362.82   56.481 0.000000 0.000000 
1 1 1   11    8    1 o  265.491   4.3905  706.410   21.920 0.5428772 8.781025 
1 1 1   11    8    2 o  253.128   3.4518  641.121   17.470 -4.558426 6.903644 
1 1 1   11    8    3 o  350.779   4.8612  1231.22   33.670 3.217316 9.722464 
1 1 1   11    8    4 o  113.861   4.2236  131.725   9.2023 -5.952156 8.447186 
1 1 1   11    8    5 o  113.465   3.6572  125.813   8.1767 15.63916 7.314436 
1 1 1   11    8    6 o   63.203   4.5625   40.032   5.7671 -0.5536308 9.125021 
1 1 1   11    8    7 o  356.115   4.5613  1270.50   32.480 -4.458191 9.122519 
1 1 1   11    8    8 o  192.020   4.4188  358.747   16.718 -41.17332 8.837593 
1 1 1   11    8    9 f  404.851   5.5578  1645.44   44.634 3.302795 11.11551 
1 1 1   11    8   10 o  213.726   6.5665  457.827   28.069      ?      ? 
1 1 1   11    8   11 o  124.117   3.8683  148.195   9.1685 -15.89378 7.736511 
1 1 1   11    8   12 o  187.923   3.2154  353.108   12.074 -6.621124 6.430723 
1 1 1   11    8   13 f   48.795   7.4209   25.037   7.1813 -13.98502 14.84171 
1 1 1   11    8   14 o  232.997   5.0157  458.886   21.248 93.28120 10.03136 
1 1 1   11    8   15 o  119.764   3.7514  139.729   8.6910 -12.92082 7.502765 
1 1 1   11    8   16 f  163.516   3.0787  267.355   10.055 -10.42476 6.157432 
1 1 1   11    8   17 o  101.341   7.1829  131.727   10.858 -58.29425 14.36580 
1 1 1   11    8   18 f  132.158   3.0674  175.210   8.1069 1.219040 6.134737 
1 1 1   11    8   20 o   77.417   4.4759   60.912   6.8877 4.316666 8.951895 
1 1 1   11    8   21 o   76.218   4.0717   58.682   5.9751 0.8654785E-01 8.143303 
1 1 1   11    8   22 o   58.705   8.6359   38.358   9.7225 11.74353 17.27187 
1 1 1   11    8   23 f   52.387   11.244   23.014   11.078 -26.26114 22.48812 
1 1 1   11    8   24 o   71.045   9.3263   62.626   11.798 25.28896 18.65253 
1 1 1   11    8   25 o   79.764   14.513   67.987   22.296      ?      ? 
1 1 1   11    8   26 o   43.118   12.359   6.4264   15.220 25.93467 24.71768 
1 1 1   11    8   27 f   46.145   10.441   25.415   10.934 -4.028366 20.88166 
1 1 1   11    8   28 o  201.184   4.9244  370.472   18.774 65.28172 9.848789 
1 1 1   11    9    0 o   91.671   5.4121   86.926   9.6444 0.000000 0.000000 
1 1 1   11    9    1 o  268.678   3.6337  722.783   19.525 1.796661 7.267395 
1 1 1   11    9    2 o  280.787   4.0757  790.445   22.683 1.999908 8.151382 
1 1 1   11    9    3 o  255.696   3.8262  654.498   19.338 -0.6120758 7.652334 
1 1 1   11    9    4 o  283.221   3.8164  803.288   21.618 0.9339294 7.632862 
1 1 1   11    9    5 o  133.340   4.0331  178.096   10.750 0.5984039 8.066118 
1 1 1   11    9    6 o   51.631   9.1495   26.421   9.1178 10.52921 18.29908 
1 1 1   11    9    8 o   50.369   7.3740   27.846   9.4438 47.56458 14.74806 
1 1 1   11    9    9 o  315.593   4.8818  959.821   29.958 51.24994 9.763582 
1 1 1   11    9   10 o  243.196   3.8261  590.676   18.415 -5.417343 7.652192 
1 1 1   11    9   11 o  277.948   4.2012  776.871   23.097 -5.111237 8.402396 
1 1 1   11    9   12 o  156.468   3.4387  246.533   10.706 -12.07820 6.877464 
1 1 1   11    9   13 o   71.580   5.1204   51.608   7.2353 15.06568 10.24073 
1 1 1   11    9   14 o   70.917   4.9601   50.924   6.9584 12.48129 9.920252 
1 1 1   11    9   15 o  176.512   3.1265  312.245   11.034 3.079681 6.252987 
1 1 1   11    9   16 o  126.289   3.2459  160.388   8.1814 4.757027 6.491862 
1 1 1   11    9   17 o  227.089   4.2567  519.770   17.944 1.243393 8.513459 
1 1 1   11    9   18 o  126.985   5.4528  117.868   9.7195 -51.10276 10.90553 
1 1 1   11    9   19 o   74.419   8.3270   62.573   11.276 -27.62283 16.65403 
1 1 1   11    9   20 o   66.057   6.0990   44.755   8.0361 -0.5576324E-01 12.19806 
1 1 1   11    9   21 o   50.954   6.0358   28.424   5.6662 11.08788 12.07167 
1 1 1   11    9   22 o   97.404   3.4540   96.144   6.6504 1.994492 6.908027 
1 1 1   11    9   23 o   20.378   6.1652   0.3656   4.4599 -0.8439159 12.33041 
1 1 1   11    9   24 o   31.383   13.986  -5.9793   17.854      ?      ? 
1 1 1   11    9   25 o   71.421   7.6041   49.404   10.231 21.77847 15.20811 
1 1 1   11    9   26 o   34.958   8.9134   11.156   8.4670 -12.59326 17.82689 
1 1 1   11   10    0 o  292.701   6.8419  853.944   37.435 0.000000 0.000000 
1 1 1   11   10    1 o  285.776   5.0119  819.939   28.099 -1.688446 10.02382 
1 1 1   11   10    2 o  370.087   5.1775  1374.17   37.932 -0.2874146 10.35503 
1 1 1   11   10    3 o  260.697   3.9666  682.516   20.549 -5.585388 7.933260 
1 1 1   11   10    4 o  113.025   5.8150  128.028   13.145      ?      ? 
1 1 1   11   10    5 o  266.378   7.4400  712.159   39.637      ?      ? 
1 1 1   11   10    6 o   74.494   7.2906   58.927   9.5244 8.739204 14.58129 
1 1 1   11   10    7 o  210.209   3.6092  443.093   15.078 1.597656 7.218395 
1 1 1   11   10    8 o  163.916   3.6273  269.642   11.805 -1.869324 7.254624 
1 1 1   11   10    9 o   47.289   10.344   23.635   10.755 -8.517075 20.68862 
1 1 1   11   10   10 o  195.719   4.1133  384.191   15.895 0.1740570 8.226547 
1 1 1   11   10   11 o  127.559   4.1116  163.370   10.333 0.2216110 8.223228 
1 1 1   11   10   12 o  151.319   3.9067  230.882   11.698 4.815933 7.813437 
1 1 1   11   10   13 o  144.892   3.7156  212.435   10.419 4.974487 7.431231 
1 1 1   11   10   14 o  162.484   3.3365  265.893   10.756 4.478470 6.673021 
1 1 1   11   10   15 o   89.557   4.2683   81.241   7.4347 2.837189 8.536503 
1 1 1   11   10   16 o  140.221   3.6884  198.429   10.182 -3.751816 7.376866 
1 1 1   11   10   17 o  234.133   3.4395  551.391   16.096 -3.401550 6.878902 
1 1 1   11   10   18 o   88.436   3.8375   78.927   6.6866 0.3392715 7.674970 
1 1 1   11   10   19 o   99.787   3.8411  100.022   7.4152 -2.112816 7.682297 
1 1 1   11   10   20 o   35.958   8.1667   13.893   6.7876 7.292648 16.33335 
1 1 1   11   10   21 o   50.046   7.1348   25.158   6.6329 -13.42636 14.26957 
1 1 1   11   10   22 o   83.908   11.004   78.541   13.166 -5.314987 22.00752 
1 1 1   11   10   23 o   39.164   9.4992   14.049   9.6521 -15.41868 18.99839 
1 1 1   11   10   24 o   50.429   5.6933   26.852   5.4620 -0.8539963E-01 11.38666 
1 1 1   11   10   25 o   32.319   7.0815   10.969   5.4414 12.84489 14.16298 
1 1 1   11   10   26 o  139.964   4.3094  196.960   12.063      ?      ? 
1 1 1   11   11    0 o  202.530   5.6282  410.870   21.644 0.000000 0.000000 
1 1 1   11   11    1 o   75.342   5.7213   57.085   8.6206 0.2210464 11.44255 
1 1 1   11   11    2 o  214.012   3.8652  458.626   16.530 6.281082 7.730497 
1 1 1   11   11    3 o   53.446   8.6162   32.790   9.4234 25.43642 17.23247 
1 1 1   11   11    4 o   96.126   4.7226   92.777   9.0570 8.830521 9.445136 
1 1 1   11   11    5 o   95.082   5.1741   95.531   9.3264 -28.31075 10.34811 
1 1 1   11   11    6 o  208.610   4.0140  434.143   15.843 3.070938 8.028042 
1 1 1   11   11    7 o  105.693   3.7961  111.990   8.0098 -8.792091 7.592285 
1 1 1   11   11    8 o  208.677   3.5100  437.235   14.530 -2.019547 7.020073 
1 1 1   11   11    9 o  211.626   3.8405  449.335   16.224 -2.096100 7.681029 
1 1 1   11   11   10 o  144.705   3.7343  209.942   10.715 -1.194839 7.468685 
1 1 1   11   11   11 o  125.423   3.7088  157.870   9.2750 -1.123489 7.417586 
1 1 1   11   11   12 o   55.405   8.0536   36.231   8.3327 -22.94411 16.10718 
1 1 1   11   11   13 o   77.739   6.0662   66.166   8.5608 -18.82225 12.13242 
1 1 1   11   11   14 o  113.506   3.6411  128.815   8.2355 -13.63373 7.282137 
1 1 1   11   11   15 o   22.918   10.725 -11.2164   12.205      ?      ? 
1 1 1   11   11   16 o  103.745   3.7684  108.457   7.8144 -1.672127 7.536795 
1 1 1   11   11   17 o  116.304   3.6208  137.141   8.2573 2.928146 7.241663 
1 1 1   11   11   18 o   60.040   5.5484   37.233   6.5796 4.571617 11.09677 
1 1 1   11   11   19 o  122.334   3.9505  150.722   9.4054 3.047783 7.900902 
1 1 1   11   11   20 o   78.078   4.5519   61.376   6.9609 -6.044159 9.103818 
1 1 1   11   11   21 o   89.339   7.5927   78.325   13.291 19.98193 15.18539 
1 1 1   11   11   22 o   88.677   4.8865   73.682   8.1793 -36.52081 9.772964 
1 1 1   11   11   23 o   52.625   7.2027   31.244   6.7875 7.473190 14.40537 
1 1 1   11   11   24 f   16.265   5.6057   2.5687   5.9872 0.9680824 11.21145 
1 1 1   11   11   25 o   83.653   8.3382   76.241   13.950      ?      ? 
1 1 1   11   12    0 o  151.772   6.1695  237.257   17.015 0.000000 0.000000 
1 1 1   11   12    1 o  154.261   3.5520  239.070   10.794 -1.472137 7.104038 
1 1 1   11   12    2 o   98.541   4.1989   97.052   8.1858 3.145844 8.397898 
1 1 1   11   12    3 o   99.639   4.1072   98.981   8.0915 4.624535 8.214468 
1 1 1   11   12    4 o  114.356   3.8251  129.358   8.6434 -10.35104 7.650280 
1 1 1   11   12    5 o   73.045   4.7742   53.610   6.9646 5.522751 9.548303 
1 1 1   11   12    6 o   69.887   4.9517   49.151   6.9109 5.194725 9.903470 
1 1 1   11   12    7 o  118.828   3.4758  141.563   8.2344 1.562737 6.951630 
1 1 1   11   12    8 o  164.083   3.0965  270.131   10.161 -1.662338 6.192956 
1 1 1   11   12    9 o   63.541   5.3298   40.684   6.7591 -5.793327 10.65958 
1 1 1   11   12   10 o   60.715   5.6372   37.136   6.8270 -6.004429 11.27448 
1 1 1   11   12   11 o   62.518   5.8492   39.936   7.2380 9.088772 11.69848 
1 1 1   11   12   12 o   92.359   5.3180   85.935   9.7970 9.358253 10.63598 
1 1 1   11   12   13 o  130.660   3.8814  172.976   10.102 9.156235 7.762816 
1 1 1   11   12   14 o   40.159   8.5155   17.138   7.2932 1.061108 17.03102 
1 1 1   11   12   15 o   60.619   6.9420   39.040   7.9507 -5.008163 13.88403 
1 1 1   11   12   16 o   38.370   9.2343   15.513   8.9918 -11.46481 18.46859 
1 1 1   11   12   17 o   23.789   7.4641  -4.0937   7.4198 -4.895889 14.92828 
1 1 1   11   12   18 o   47.269   7.2874   24.733   6.9390 19.96230 14.57475 
1 1 1   11   12   19 o  111.008   5.7494   99.397   10.883 84.10809 11.49881 
1 1 1   11   12   20 o   51.648   8.7266   30.339   8.8410 -0.1975899 17.45329 
1 1 1   11   12   21 o   87.465   4.9978   80.109   8.6445 -9.630684 9.995654 
1 1 1   11   12   22 o   32.014   8.3560   9.4506   7.3174 7.172728 16.71205 
1 1 1   11   12   23 o   66.512   8.0012   45.047   10.644      ?      ? 
1 1 1   11   13    0 o   77.607   6.7364   62.563   10.290 0.000000 0.000000 
1 1 1   11   13    1 o  157.218   3.4064  247.982   10.624 -0.8685760 6.812763 
1 1 1   11   13    2 o   68.506   5.0303   47.306   6.8891 2.821487 10.06055 
1 1 1   11   13    3 o   73.066   6.5368   53.558   8.2965 1.079765 13.07364 
1 1 1   11   13    4 o  126.559   3.6835  160.151   9.0212 2.143745 7.367052 
1 1 1   11   13    5 o   21.237   6.9456 -10.7409   7.1427 -7.783085 13.89123 
1 1 1   11   13    6 o  144.068   3.1853  208.548   9.1721 -2.858002 6.370667 
1 1 1   11   13    7 o   83.204   4.9826   66.702   8.0010 -30.97769 9.965142 
1 1 1   11   13    8 o  182.950   3.2687  335.747   11.944 2.968094 6.537329 
1 1 1   11   13    9 o  147.355   3.2411  218.324   9.5500 0.7642212 6.482162 
1 1 1   11   13   10 o   47.437   7.1287   24.368   6.7482 20.26082 14.25750 
1 1 1   11   13   11 o   49.499   7.5243   25.792   7.1052 -4.412655 15.04867 
1 1 1   11   13   12 o   63.776   5.7204   41.227   7.2049 -3.565910 11.44079 
1 1 1   11   13   13 o   48.294   8.4037   25.234   7.9385 1.487720 16.80748 
1 1 1   11   13   14 o   44.403   8.5827   22.493   7.9191 -9.689575 17.16541 
1 1 1   11   13   15 o   52.810   7.4834   30.537   7.6688 11.00667 14.96684 
1 1 1   11   13   16 o   55.945   7.0402   32.650   7.6207 -11.82587 14.08035 
1 1 1   11   13   17 o   51.028   13.394   28.220   13.842      ?      ? 
1 1 1   11   13   19 o   64.895   7.6147   44.626   9.5456 14.73596 15.22935 
1 1 1   11   13   20 o   27.951   8.7148  -0.4410   9.4431 -0.1474705 17.42965 
1 1 1   11   13   21 f   57.704   8.7510   43.493   9.5550 -7.317604 17.50203 
1 1 1   11   13   22 o   44.714   9.7114   43.514   9.0083 -11.65250 19.42280 
1 1 1   11   14    0 o  189.867   4.5752  363.382   17.319 0.000000 0.000000 
1 1 1   11   14    1 o   43.423   7.2731   19.625   6.7638 22.44418 14.54624 
1 1 1   11   14    2 o  114.781   3.3885  132.608   7.7734 -5.722382 6.777041 
1 1 1   11   14    3 o   86.115   4.1097   75.059   7.0628 -5.910667 8.219427 
1 1 1   11   14    4 f  118.729   4.0841  142.113   9.6832 -9.189667 8.168156 
1 1 1   11   14    5 o   54.279   7.2754   31.008   7.7010 3.578388 14.55079 
1 1 1   11   14    6 o  109.998   3.7246  122.471   8.1027 -3.209671 7.449112 
1 1 1   11   14    7 o   38.695   9.2182   15.087   8.0096 -0.6866455E-02 18.43635 
1 1 1   11   14    8 o   72.467   7.0588   52.770   9.8229 6.995636 14.11766 
1 1 1   11   14    9 o   76.161   4.8794   59.344   7.3867 7.022720 9.758801 
1 1 1   11   14   10 o   33.013   8.6542   9.3912   7.6485 -2.313042 17.30839 
1 1 1   11   14   11 o   81.978   5.3570   68.655   8.7538 -9.455544 10.71394 
1 1 1   11   14   12 o   37.212   8.3055   14.668   7.3413 11.78093 16.61097 
1 1 1   11   14   13 o   45.184   9.1490   23.335   8.7949 -7.700562 18.29799 
1 1 1   11   14   14 o   26.024   8.0877  -5.8795   8.3807 -12.22400 16.17538 
1 1 1   11   14   15 o   60.352   8.9566   38.163   10.442 11.80669 17.91319 
1 1 1   11   14   16 o   67.154   5.8973   48.837   7.8180 -15.27801 11.79459 
1 1 1   11   14   17 o   86.583   5.3646   79.308   9.0097 -6.652641 10.72923 
1 1 1   11   14   18 o   81.187   6.3814   71.654   9.7149 -7.618073 12.76282 
1 1 1   11   14   19 o   41.821   10.236   23.253   11.852 -19.39947 20.47154 
1 1 1   11   14   20 o  101.873   7.2997  117.745   14.804 -8.298691 14.59947 
1 1 1   11   15    0 o   23.890   10.439   4.4818   9.9867 0.000000 0.000000 
1 1 1   11   15    1 o  122.412   3.5478  151.245   8.6824 0.7929840 7.095541 
1 1 1   11   15    2 o   27.921   8.3208   1.9541   7.6550 -3.434557 16.64164 
1 1 1   11   15    3 o   90.354   4.9216   79.064   8.3952 -12.56405 9.843114 
1 1 1   11   15    4 o   56.840   9.5545   31.941   8.7263 -8.009033 19.10903 
1 1 1   11   15    5 o  101.557   6.2374  104.879   10.977 -1.541580 12.47483 
1 1 1   11   15    6 o   25.639   8.0272  -2.9638   8.2646 2.366116 16.05439 
1 1 1   11   15    7 o   39.133   8.8777   15.699   8.1148 10.90999 17.75532 
1 1 1   11   15    8 o   85.669   6.0504   77.158   10.136 8.575951 12.10085 
1 1 1   11   15    9 o   80.148   5.7295   66.595   9.0783 1.552879 11.45896 
1 1 1   11   15   10 o   85.639   5.6889   75.204   9.4718 -7.102104 11.37780 
1 1 1   11   15   11 o   39.246   10.484   6.6303   12.453 20.26109 20.96773 
1 1 1   11   15   12 o  130.993   9.9339  175.060   26.025      ?      ? 
1 1 1   11   15   13 o   27.499   8.5271   2.3436   8.9286 0.5893898 17.05425 
1 1 1   11   15   14 o   37.157   9.3147   14.607   9.0759 8.637058 18.62941 
1 1 1   11   15   15 f   75.235   6.6073   58.236   9.7412 -12.86333 13.21457 
1 1 1   11   15   16 o   42.824   9.9560   23.556   9.7582 0.3782883 19.91206 
1 1 1   11   15   17 o   59.983   9.0270   40.526   11.123 34.95783 18.05408 
1 1 1   11   16    0 o   51.262   12.369   36.891   11.262 0.000000 0.000000 
1 1 1   11   16    1 o   79.860   5.4812   66.604   8.6737 2.204559 10.96232 
1 1 1   11   16    2 o   70.827   5.9589   52.084   8.3843 -9.059319 11.91788 
1 1 1   11   16    3 o   30.210   8.5283   6.4303   7.8820 3.451836 17.05662 
1 1 1   11   16    4 o   22.307   7.5199 -16.1184   9.4063 -2.621910 15.03977 
1 1 1   11   16    6 o  237.230   5.2154  567.817   24.727 11.08566 10.43083 
1 1 1   11   16    7 o   75.585   9.8556   60.823   14.133 -5.311958 19.71112 
1 1 1   11   16    8 o   29.166   9.4026  -5.1228   11.413 4.554718 18.80518 
1 1 1   11   16    9 f   68.683   6.7855   50.668   9.2531 2.372261 13.57094 
1 1 1   11   16   10 f   58.126   8.4580   38.149   9.5040 -5.854897 16.91591 
1 1 1   11   16   11 f   57.084   10.617   38.963   11.851 -2.421112 21.23419 
1 1 1   11   16   12 o   38.151   9.9134   13.502   10.022 -12.77120 19.82688 
1 1 1   11   16   13 o   51.211   9.7687   53.499   10.521 13.31874 19.53739 
1 1 1   11   16   14 o   75.464   7.9529   60.657   11.004 36.25549 15.90578 
1 1 1   11   17    0 o   30.675   13.786   4.2997   13.302 0.000000 0.000000 
1 1 1   11   17    1 o   29.157   8.7164   2.9334   8.7691 -1.390566 17.43274 
1 1 1   11   17    2 o   45.787   10.327   23.350   10.408 9.286594 20.65328 
1 1 1   11   17    3 o   55.883   9.4536   35.181   10.057 6.896557 18.90730 
1 1 1   11   17    4 o   31.788   9.0225   4.0711   10.070 -12.54427 18.04502 
1 1 1   11   17    5 o   50.090   10.025   29.820   10.443 -3.871506 20.04923 
1 1 1   11   17    6 o   74.806   8.3366   65.377   11.314 -16.72616 16.67328 
1 1 1   11   17    7 o   49.337   8.8248   27.820   8.6446 -4.850365 17.64954 
1 1 1   11   17    8 o   47.029   9.0738   27.785   8.7571 0.6976776 18.14757 
1 1 1   11   17    9 o   20.473   7.0127 -15.0141   8.9164 -5.073528 14.02532 
1 1 1   11   17   10 o   75.201   6.5714   57.259   9.7913 -14.48164 13.14272 
1 1 1   11   17   11 o   75.076   7.0464   64.429   10.551 1.632202 14.09289 
1 1 1   11   18    0 o   37.314   15.102   19.842   17.955 0.000000 0.000000 
1 1 1   11   18    1 o  130.360   6.0131  151.123   14.561 47.07204 12.02619 
1 1 1   11   18    2 o   62.143   9.6558   35.527   12.361 42.69051 19.31158 
1 1 1   11   18    3 o   64.953   14.735   47.727   18.707      ?      ? 
1 1 1   11   18    4 o   41.986   11.684   24.831   14.259 1.212288 23.36793 
1 1 1   12    0    0 o  131.658   4.3183  174.173   11.303 0.000000 0.000000 
1 1 1   12    0    1 o  169.683   3.4349  288.868   11.635 0.000000 0.000000 
1 1 1   12    0    2 o  337.887   6.0452  1147.10   40.793 0.000000 0.000000 
1 1 1   12    0    3 o  446.858   7.9287  2010.50   70.745 0.000000 0.000000 
1 1 1   12    0    4 o  334.634   7.3842  1127.49   46.412 0.000000 0.000000 
1 1 1   12    0    5 o   71.189   4.4033   50.237   5.5740 0.000000 0.000000 
1 1 1   12    0    6 o   97.025   3.7937   87.130   6.4425 0.000000 0.000000 
1 1 1   12    0    7 o   86.476   4.3148   76.725   7.2170 0.000000 0.000000 
1 1 1   12    0    8 o  159.030   4.2644  251.053   12.741 0.000000 0.000000 
1 1 1   12    0    9 o  124.800   4.0201  156.332   10.011 0.000000 0.000000 
1 1 1   12    0   10 o  151.705   4.9957  231.067   15.121 0.000000 0.000000 
1 1 1   12    0   11 o  207.836   5.8302  433.385   24.192 0.000000 0.000000 
1 1 1   12    0   12 o   97.700   5.4446   96.406   10.569 0.000000 0.000000 
1 1 1   12    0   13 o  447.320   9.1864  2007.21   82.108 0.000000 0.000000 
1 1 1   12    0   14 o  281.110   10.421  795.581   58.412 0.000000 0.000000 
1 1 1   12    0   15 o  178.596   4.6749  324.518   14.768 0.000000 0.000000 
1 1 1   12    0   16 o  484.635   10.481  2399.73   97.977 0.000000 0.000000 
1 1 1   12    0   17 f  196.825   5.4108  396.231   20.683 0.000000 0.000000 
1 1 1   12    0   18 o  201.282   5.4664  414.846   21.267 0.000000 0.000000 
1 1 1   12    0   19 o  295.056   6.9010  865.031   37.920 0.000000 0.000000 
1 1 1   12    0   20 o   91.148   8.7627   85.718   15.702 0.000000 0.000000 
1 1 1   12    0   21 o  400.701   10.279  1620.19   82.255 0.000000 0.000000 
1 1 1   12    0   22 o   19.204   12.907  -4.1974   13.580 0.000000 0.000000 
1 1 1   12    0   23 o   13.002   9.5926 -34.0371   14.851 0.000000 0.000000 
1 1 1   12    0   24 o   36.024   17.292   19.917   14.265 0.000000 0.000000 
1 1 1   12    0   25 o  129.310   8.7356  171.705   22.383 0.000000 0.000000 
1 1 1   12    0   26 o  140.632   6.3536  200.616   17.792 0.000000 0.000000 
1 1 1   12    0   27 o   37.783   12.570   20.819   11.038 0.000000 0.000000 
1 1 1   12    0   28 o  146.213   7.7840  202.081   19.459 0.000000 0.000000 
1 1 1   12    0   29 o   92.542   6.8970   92.063   12.273 0.000000 0.000000 
1 1 1   12    0   30 o   19.195   9.0490   0.5640   7.5029 0.000000 0.000000 
1 1 1   12    0   31 o  117.242   7.0581  114.346   12.939 0.000000 0.000000 
1 1 1   12    1    0 o  352.033   7.2991  1240.35   44.018 0.000000 0.000000 
1 1 1   12    1    1 o  169.274   3.1588  284.699   10.409 -5.686859 6.317518 
1 1 1   12    1    2 o  120.645   2.2303  146.319   5.2338 2.383904 4.460598 
1 1 1   12    1    3 o  246.196   3.4651  608.574   16.943 4.273987 6.930222 
1 1 1   12    1    4 o  111.594   2.2958  123.648   4.9372 -3.278481 4.591535 
1 1 1   12    1    5 o  227.100   3.1198  516.636   13.736 0.6652832E-01 6.239670 
1 1 1   12    1    6 o  267.134   4.0095  715.244   21.417 3.574646 8.018948 
1 1 1   12    1    7 o  170.866   3.2389  293.332   10.952 3.746628 6.477720 
1 1 1   12    1    8 o  210.784   3.3470  445.218   14.109 -0.6500244E-01 6.693992 
1 1 1   12    1    9 o   89.521   2.8526   80.848   4.9501 -2.909386 5.705218 
1 1 1   12    1   10 o  196.375   3.3659  388.506   12.664 -4.302322 6.731824 
1 1 1   12    1   11 o  130.241   3.2936  170.137   8.5001 -1.852310 6.587205 
1 1 1   12    1   12 o  202.770   5.7790  411.816   23.436      ?      ? 
1 1 1   12    1   13 o  104.539   3.0776  108.043   6.3951 13.02539 6.155147 
1 1 1   12    1   14 o  287.738   4.4278  801.676   24.922 45.23877 8.855603 
1 1 1   12    1   15 o  627.953   8.0857  3972.77   98.511 -3.448914 16.17142 
1 1 1   12    1   16 o  551.563   7.9932  3059.34   88.146 -9.690125 15.98641 
1 1 1   12    1   17 o  139.245   4.4683  183.506   11.435 -78.85562 8.936503 
1 1 1   12    1   18 o   52.367   6.9215   29.109   6.8632 -9.227573 13.84300 
1 1 1   12    1   19 o  410.490   8.6266  1695.06   70.822      ?      ? 
1 1 1   12    1   20 o  218.079   4.0775  414.400   14.961 52.51691 8.154914 
1 1 1   12    1   21 o  144.181   3.3019  209.358   9.3727 -3.616241 6.603736 
1 1 1   12    1   22 f  248.489   3.7578  619.596   18.448 2.084274 7.515570 
1 1 1   12    1   23 o   89.352   5.6948   83.057   9.6133 8.831200 11.38956 
1 1 1   12    1   24 o  116.705   4.3823  127.224   8.8194 16.89702 8.764608 
1 1 1   12    1   25 o  167.486   3.0749  283.626   10.065 -3.754227 6.149876 
1 1 1   12    1   26 o  182.170   3.2430  335.220   11.712 -2.007919 6.486043 
1 1 1   12    1   27 o   54.972   6.6723   32.526   7.0339 -13.76963 13.34461 
1 1 1   12    1   28 f  264.810   6.1341  705.936   32.487      ?      ? 
1 1 1   12    1   29 o   79.563   4.7318   65.801   7.3881 -5.562012 9.463672 
1 1 1   12    1   30 o   29.005   7.8407   7.1130   6.3205 3.803926 15.68131 
1 1 1   12    1   31 o   16.501   8.3222 -38.6434   12.866      ?      ? 
1 1 1   12    2    0 o  316.446   5.7032  1005.82   36.031 0.000000 0.000000 
1 1 1   12    2    1 o  178.757   2.6235  319.449   9.0696 1.001755 5.246970 
1 1 1   12    2    2 o  259.398   3.4743  675.643   17.493 -2.171509 6.948610 
1 1 1   12    2    3 o  195.436   2.8035  380.142   10.529 4.258301 5.607044 
1 1 1   12    2    4 o  122.291   2.6617  149.516   6.5050 5.868935 5.323386 
1 1 1   12    2    5 o  379.406   5.1549  1449.20   38.870 -8.890259 10.30984 
1 1 1   12    2    6 o  214.750   3.3585  462.013   14.424 -3.391373 6.717009 
1 1 1   12    2    7 o  204.051   3.2635  417.112   13.316 1.043686 6.527092 
1 1 1   12    2    8 o  226.828   3.1748  512.176   13.797 4.789505 6.349502 
1 1 1   12    2    9 o  154.928   4.1373  240.283   12.820      ?      ? 
1 1 1   12    2   10 o  194.140   5.5572  377.617   21.578      ?      ? 
1 1 1   12    2   11 o  275.106   4.1527  757.603   22.835 -5.119965 8.305346 
1 1 1   12    2   12 o  209.791   3.8540  411.660   14.907 34.45306 7.708008 
1 1 1   12    2   13 o  270.595   3.8693  732.318   20.735 2.310303 7.738642 
1 1 1   12    2   14 o  384.704   5.0493  1477.34   37.408 5.869598 10.09850 
1 1 1   12    2   15 o  301.017   4.0819  904.891   23.717 3.280060 8.163767 
1 1 1   12    2   16 f  365.653   5.9144  1200.60   36.339 69.61252 11.82887 
1 1 1   12    2   17 o  300.899   6.5451  907.952   39.388      ?      ? 
1 1 1   12    2   18 o  253.983   3.6245  647.547   17.928 -2.018951 7.249053 
1 1 1   12    2   19 o  159.510   4.0595  252.470   11.943 4.069931 8.119078 
1 1 1   12    2   20 o  129.387   3.2168  158.452   8.0452 28.16876 6.433612 
1 1 1   12    2   21 o  108.576   4.9716  123.235   10.239 -15.57701 9.943274 
1 1 1   12    2   22 f   57.877   5.6799   33.817   6.0853 25.78313 11.35971 
1 1 1   12    2   23 o  204.693   5.0966  420.879   20.865      ?      ? 
1 1 1   12    2   24 o  126.826   3.0983  160.797   7.7590 4.478622 6.196614 
1 1 1   12    2   25 o   43.377   6.4001   19.818   5.2636 1.867680 12.80014 
1 1 1   12    2   26 o  102.602   3.7641  107.116   7.6200 3.701927 7.528141 
1 1 1   12    2   27 o  163.391   3.3977  269.349   11.078 -12.54822 6.795483 
1 1 1   12    2   28 o   64.041   8.5577   41.599   10.961      ?      ? 
1 1 1   12    2   29 o  114.807   3.0862  129.454   6.6795 10.14734 6.172491 
1 1 1   12    2   30 o   76.035   3.6561   57.307   5.3550 15.80497 7.312283 
1 1 1   12    3    0 o  299.714   5.4475  902.501   32.606 0.000000 0.000000 
1 1 1   12    3    1 o  288.173   3.6977  832.497   21.312 0.2970886 7.395422 
1 1 1   12    3    2 o  197.544   2.7363  390.741   10.811 0.7313843 5.472512 
1 1 1   12    3    3 o   81.853   3.6652   67.191   5.9963 -2.529320 7.330436 
1 1 1   12    3    4 o  190.072   2.9036  362.810   10.976 5.800125 5.807163 
1 1 1   12    3    5 o  210.648   3.5034  444.932   13.999 0.5942535 7.006787 
1 1 1   12    3    6 o  453.210   6.1433  2067.43   55.078 0.4262390 12.28662 
1 1 1   12    3    7 o   58.342   4.7543   34.714   5.0277 -2.338650 9.508529 
1 1 1   12    3    8 o  242.123   4.3105  496.220   17.416 67.99054 8.620925 
1 1 1   12    3    9 o  277.655   4.2731  788.187   21.936 -15.36774 8.546229 
1 1 1   12    3   10 o  185.519   3.3865  345.091   11.765 -0.8679504 6.772949 
1 1 1   12    3   11 o  278.933   3.7805  783.931   20.530 -7.902863 7.561088 
1 1 1   12    3   12 o  205.145   3.8756  399.786   14.819 27.91533 7.751215 
1 1 1   12    3   13 o  372.214   4.9161  1384.07   35.192 4.285431 9.832145 
1 1 1   12    3   14 o  405.995   5.3046  1658.19   41.824 -5.718079 10.60915 
1 1 1   12    3   15 o  228.568   3.3829  524.167   14.872 -1.939636 6.765858 
1 1 1   12    3   16 o  266.797   5.6023  750.349   23.574 -22.73399 11.20462 
1 1 1   12    3   17 o  316.429   4.8626  999.213   26.229 2.650726 9.725285 
1 1 1   12    3   18 o  104.270   4.2928   96.374   6.9540 19.10654 8.585645 
1 1 1   12    3   19 o  268.644   4.8763  721.830   25.454 4.869812 9.752686 
1 1 1   12    3   20 o  173.417   3.9748  303.466   12.928 -2.664078 7.949550 
1 1 1   12    3   21 o   85.939   7.5607   72.874   9.9311 3.256485 15.12148 
1 1 1   12    3   22 f  137.556   5.6798  203.177   12.082 -14.59650 11.35951 
1 1 1   12    3   23 o  107.433   5.0415  116.897   10.535 -1.221336 10.08304 
1 1 1   12    3   24 o  143.218   5.8706  207.948   16.353 3.477936 11.74117 
1 1 1   12    3   25 o  164.230   5.0370  286.014   13.657 -14.20740 10.07396 
1 1 1   12    3   26 o   68.380   9.0709   59.318   10.224 -26.46374 18.14174 
1 1 1   12    3   27 o   41.927   10.448   17.888   10.015 8.722099 20.89600 
1 1 1   12    3   28 o   17.737   8.6442 -16.3265   9.9181      ?      ? 
1 1 1   12    3   29 o   86.223   5.4846   76.890   8.7505 0.4486923 10.96925 
1 1 1   12    3   30 o   13.162   6.7030 -32.0685   9.3161      ?      ? 
1 1 1   12    4    0 o   30.879   9.6063   12.504   6.3145 0.000000 0.000000 
1 1 1   12    4    1 o  149.142   2.7833  222.732   8.3005 -0.6869507 5.566592 
1 1 1   12    4    2 o  166.919   2.7116  278.693   8.9590 -1.063248 5.423208 
1 1 1   12    4    3 o  107.615   2.6381  116.342   5.6378 3.375969 5.276226 
1 1 1   12    4    4 o  208.596   3.1081  437.037   12.884 5.256348 6.216252 
1 1 1   12    4    5 o  158.499   2.5142  251.440   7.9685 2.137787 5.028352 
1 1 1   12    4    6 f  245.836   3.5529  605.770   17.286 -0.9367676 7.105891 
1 1 1   12    4    7 o   84.990   5.3748   72.361   9.1361      ?      ? 
1 1 1   12    4    8 o  253.723   4.3794  634.635   21.432 15.14078 8.758790 
1 1 1   12    4    9 f  315.842   4.0596  999.160   25.641 1.253174 8.119129 
1 1 1   12    4   10 o  373.075   5.1059  1396.56   37.727 -2.549835 10.21179 
1 1 1   12    4   11 o  323.456   4.5027  1050.06   28.885 -4.888062 9.005435 
1 1 1   12    4   12 o  316.192   4.2509  1002.36   25.962 -1.164490 8.501816 
1 1 1   12    4   13 o  324.113   4.9287  1073.63   29.662 -17.94568 9.857475 
1 1 1   12    4   14 o   64.381   5.0781   40.117   5.9169 5.058701 10.15615 
1 1 1   12    4   15 o  206.003   3.9071  421.388   14.596 4.080856 7.814151 
1 1 1   12    4   17 f  350.088   5.5831  1221.94   36.111 6.701691 11.16622 
1 1 1   12    4   18 o  322.677   8.6382  1047.41   55.747      ?      ? 
1 1 1   12    4   19 f  145.347   5.5128  204.938   13.541 9.464249 11.02566 
1 1 1   12    4   20 o  181.821   5.3286  342.902   15.224 -9.594360 10.65712 
1 1 1   12    4   21 o  270.633   4.6509  744.216   23.944 -8.475311 9.301811 
1 1 1   12    4   22 o  122.152   4.7986  150.109   11.527 1.367630 9.597147 
1 1 1   12    4   23 o  218.249   4.9102  480.337   21.330 -13.28564 9.820409 
1 1 1   12    4   24 o  167.472   4.7551  284.431   15.897 -4.450668 9.510135 
1 1 1   12    4   25 o  131.945   4.4885  178.077   10.898 -3.089157 8.976939 
1 1 1   12    4   26 o  139.897   4.7397  204.853   12.726 -14.51123 9.479474 
1 1 1   12    4   28 f   25.856   8.1512  -2.0970   8.2385 1.580908 16.30238 
1 1 1   12    4   29 o   78.860   7.1745   67.257   11.311 -3.155937 14.34907 
1 1 1   12    5    0 o  232.637   4.4691  543.327   20.759 0.000000 0.000000 
1 1 1   12    5    1 o  296.922   3.8269  883.862   22.726 -0.3684692 7.653830 
1 1 1   12    5    2 o  123.789   3.2597  147.727   7.6661 -14.26085 6.519342 
1 1 1   12    5    3 o  262.591   3.7331  690.783   19.400 0.3239441 7.466296 
1 1 1   12    5    4 o  198.419   3.5046  399.009   13.248 -8.116501 7.009137 
1 1 1   12    5    5 o  135.960   4.2787  185.059   11.635      ?      ? 
1 1 1   12    5    6 o  241.926   3.2644  585.981   15.792 1.518204 6.528829 
1 1 1   12    5    7 o  407.526   5.5409  1667.82   44.782 3.291107 11.08183 
1 1 1   12    5    8 o  233.288   3.1913  544.674   14.886 1.586792 6.382549 
1 1 1   12    5    9 o  195.915   3.1513  384.663   12.250 2.036911 6.302530 
1 1 1   12    5   10 o  109.148   2.9211  119.101   6.3600 -10.92173 5.842219 
1 1 1   12    5   11 o  216.025   3.5899  466.384   15.489 7.481277 7.179736 
1 1 1   12    5   12 o  206.450   3.3711  429.233   13.776 -9.585648 6.742290 
1 1 1   12    5   13 o  137.568   3.5001  190.434   9.5804 -10.24069 7.000200 
1 1 1   12    5   14 o  320.166   8.3726  1028.91   53.613      ?      ? 
1 1 1   12    5   16 o  192.880   3.5565  372.822   13.558 -0.2782593 7.112979 
1 1 1   12    5   17 o  257.176   5.3960  577.766   25.465 85.54889 10.79201 
1 1 1   12    5   18 o  208.479   4.4601  439.910   18.163 -7.959320 8.920275 
1 1 1   12    5   19 f  177.327   3.8281  315.815   13.572 -3.751419 7.656216 
1 1 1   12    5   20 o   47.446   8.6075   24.261   8.6780 -19.20031 17.21503 
1 1 1   12    5   21 o   87.366   5.4212   78.388   9.3208 -15.21061 10.84234 
1 1 1   12    5   22 o  107.483   5.4741  116.310   11.768      ?      ? 
1 1 1   12    5   23 o  116.773   4.8092  137.573   11.011 2.633713 9.618397 
1 1 1   12    5   24 o   75.889   6.9597   59.977   10.296 -2.909592 13.91938 
1 1 1   12    5   25 o  125.034   5.2693  160.699   13.056 -4.052711 10.53857 
1 1 1   12    5   26 o  182.234   5.4060  346.775   17.563 -3.924301 10.81194 
1 1 1   12    5   27 f   46.042   8.2210  -4.8228   12.878 54.62057 16.44193 
1 1 1   12    5   28 o   33.588   9.3698   7.9081   8.2052 10.92919 18.73960 
1 1 1   12    5   29 o   17.187   6.1172 -11.5048   8.9606 0.8918209 12.23437 
1 1 1   12    6    0 o   75.185   7.6736   66.850   8.5605 0.000000 0.000000 
1 1 1   12    6    1 o  125.183   2.6364  156.855   6.5979 0.3332367 5.272836 
1 1 1   12    6    2 o  231.565   3.1600  536.835   14.634 1.653122 6.320026 
1 1 1   12    6    3 o  206.573   3.1873  427.112   13.031 0.3636017 6.374528 
1 1 1   12    6    4 o  156.651   3.0752  245.627   9.6343 -1.650818 6.150349 
1 1 1   12    6    5 f  484.003   6.0534  2350.42   58.586 5.582977 12.10684 
1 1 1   12    6    6 o  255.123   3.4334  651.614   17.518 0.5691528E-02 6.866754 
1 1 1   12    6    7 o  339.305   4.3542  1151.70   29.516 9.543579 8.708474 
1 1 1   12    6    8 o  209.632   3.0262  439.520   12.682 4.263504 6.052472 
1 1 1   12    6    9 o   95.438   3.4943   91.841   6.5922 -5.065437 6.988572 
1 1 1   12    6   10 o  126.262   3.0688  159.452   7.7298 -1.289360 6.137615 
1 1 1   12    6   11 o  191.931   3.2884  368.637   12.474 -0.4328003 6.576852 
1 1 1   12    6   12 o  178.670   3.0226  319.414   10.797 -6.349487 6.045107 
1 1 1   12    6   13 o  254.506   3.8774  647.997   19.444 1.875488 7.754715 
1 1 1   12    6   14 o  169.515   4.2897  269.074   13.992 -41.60008 8.579420 
1 1 1   12    6   15 o  124.707   3.2116  155.770   8.0097 -1.849541 6.423146 
1 1 1   12    6   16 o  216.446   6.8046  470.223   29.456      ?      ? 
1 1 1   12    6   17 o  168.823   3.9117  300.553   11.231 -17.20251 7.823402 
1 1 1   12    6   18 o   76.045   6.2641   61.175   6.3346 -5.401321 12.52811 
1 1 1   12    6   19 o   78.451   5.8022   62.683   9.0376 -7.129677 11.60433 
1 1 1   12    6   20 o  193.985   3.8164  377.958   14.791 3.599991 7.632813 
1 1 1   12    6   21 o   87.941   6.6745   78.551   11.730 4.988022 13.34908 
1 1 1   12    6   22 o   77.995   6.3555   63.036   9.6608 5.330185 12.71109 
1 1 1   12    6   23 o   56.601   8.5657   34.373   9.2012 -2.979374 17.13143 
1 1 1   12    6   24 o  111.830   5.0014  126.826   10.711 2.168335 10.00279 
1 1 1   12    6   25 o  123.620   4.7843  151.844   10.735 7.544182 9.568647 
1 1 1   12    6   27 o   34.043   10.017   6.3306   10.783 3.096325 20.03443 
1 1 1   12    6   28 o   38.439   9.9324   13.467   9.1523 12.16391 19.86483 
1 1 1   12    6   29 o  164.404   5.7469  205.639   13.317 59.35634 11.49382 
1 1 1   12    7    0 o   93.600   4.7065   88.997   8.7182 0.000000 0.000000 
1 1 1   12    7    1 o  495.993   7.1811  2471.65   71.222 5.624420 14.36218 
1 1 1   12    7    2 o  324.969   4.5428  1056.09   29.137 3.694519 9.085683 
1 1 1   12    7    3 o  301.471   3.9325  909.888   23.706 3.898132 7.865011 
1 1 1   12    7    4 o  410.194   5.1806  1685.72   42.483 7.197327 10.36129 
1 1 1   12    7    5 o  398.674   5.0411  1592.37   40.182 5.885162 10.08219 
1 1 1   12    7    6 f  114.424   3.2827  131.202   7.5043 -4.291809 6.565413 
1 1 1   12    7    7 o  277.831   3.6871  772.936   20.488 -0.4346924 7.374111 
1 1 1   12    7    8 o  158.808   3.2330  252.452   10.268 -1.180298 6.466022 
1 1 1   12    7    9 o  102.006   3.2822  104.033   6.6900 -2.876022 6.564424 
1 1 1   12    7   10 o  182.894   2.9960  334.496   10.953 4.956253 5.991950 
1 1 1   12    7   11 f  235.533   4.6623  555.641   21.954 5.475220 9.324505 
1 1 1   12    7   12 o  122.288   5.2288  149.806   12.788      ?      ? 
1 1 1   12    7   13 o  269.491   4.0556  729.572   21.684 5.282471 8.111269 
1 1 1   12    7   14 o  197.931   3.4264  392.826   13.406 -0.9425964 6.852718 
1 1 1   12    7   15 o  221.193   4.9439  486.901   21.723 15.69270 9.887843 
1 1 1   12    7   16 o   91.251   3.6910   83.406   6.7295 -5.609871 7.381952 
1 1 1   12    7   17 o  191.111   3.0770  365.226   11.737 7.311111 6.154039 
1 1 1   12    7   18 o  118.729   3.1831  141.469   7.5231 -15.26418 6.366115 
1 1 1   12    7   19 o  114.868   4.3135  133.075   9.8565 -2.170967 8.626968 
1 1 1   12    7   20 o  103.436   6.9101  113.219   13.411 14.54634 13.82028 
1 1 1   12    7   21 o   43.572   9.5741   17.850   9.3014 -17.05576 19.14811 
1 1 1   12    7   22 o   98.768   5.2834   99.464   10.220 0.1589203 10.56672 
1 1 1   12    7   23 o   59.781   7.5817   38.370   8.7687 -6.839268 15.16336 
1 1 1   12    7   24 o   40.508   9.8584   17.252   9.5947 -1.776875 19.71677 
1 1 1   12    7   25 o   61.173   11.686   38.509   13.190 9.033798 23.37126 
1 1 1   12    7   26 o   36.525   11.300   6.6286   12.210 16.81820 22.59961 
1 1 1   12    7   27 f   47.003   14.765   26.202   15.442      ?      ? 
1 1 1   12    8    0 o  187.947   5.3039  351.700   18.367 0.000000 0.000000 
1 1 1   12    8    1 o  162.405   3.4294  263.947   11.125 11.48282 6.858887 
1 1 1   12    8    2 o  313.638   4.4250  987.398   27.531 4.756744 8.850049 
1 1 1   12    8    3 o  137.615   2.9274  189.437   8.0550 3.731079 5.854867 
1 1 1   12    8    4 o  468.404   6.3690  2202.52   59.005 0.4334412 12.73794 
1 1 1   12    8    5 o  399.618   5.0744  1600.83   40.551 4.035370 10.14881 
1 1 1   12    8    6 o  446.995   5.6450  2004.31   50.464 -2.598236 11.29005 
1 1 1   12    8    7 o  394.238   5.0164  1557.82   39.548 -3.572113 10.03278 
1 1 1   12    8    8 o  285.551   3.8392  815.813   21.911 -6.498749 7.678396 
1 1 1   12    8    9 o  245.058   4.7022  605.329   22.637 7.715103 9.404318 
1 1 1   12    8   10 o  162.195   3.8510  262.864   12.448 4.906372 7.701947 
1 1 1   12    8   11 o  166.031   3.1629  275.754   10.497 -5.083481 6.325744 
1 1 1   12    8   12 o  215.745   3.5832  466.123   15.257 0.8213196 7.166417 
1 1 1   12    8   13 o  195.261   3.6905  381.167   14.392 -9.188095 7.380946 
1 1 1   12    8   14 o  223.001   3.3614  498.429   14.992 -1.331787 6.722889 
1 1 1   12    8   15 o  210.000   3.5354  443.132   14.669 2.310822 7.070728 
1 1 1   12    8   16 o  157.870   3.0237  249.770   9.5451 -2.513000 6.047458 
1 1 1   12    8   17 o   59.480   7.2416   38.803   7.8708 -13.43054 14.48324 
1 1 1   12    8   18 o   24.673   7.3598  -1.3656   6.8433 7.521946 14.71953 
1 1 1   12    8   19 o  148.036   5.0246  220.255   14.876      ?      ? 
1 1 1   12    8   20 o  107.319   3.3596  115.923   7.2109 -0.8548355 6.719283 
1 1 1   12    8   21 o   58.423   4.8333   34.641   5.6399 -4.207314 9.666555 
1 1 1   12    8   22 o   63.186   7.6990   44.479   9.1130 -22.76779 15.39799 
1 1 1   12    8   23 o  149.154   5.8563  232.172   17.284 20.47961 11.71268 
1 1 1   12    8   24 o   24.004   8.2519 -32.3657   12.636 7.288565 16.50375 
1 1 1   12    8   25 o   29.314   9.1145   4.9401   10.151 2.088387 18.22906 
1 1 1   12    8   26 o   52.313   8.6446   30.792   8.8894 10.77092 17.28929 
1 1 1   12    9    0 o  188.057   4.3520  355.128   16.329 0.000000 0.000000 
1 1 1   12    9    1 o  253.015   3.8200  640.491   19.097 1.403320 7.639920 
1 1 1   12    9    2 o   85.188   5.0879   71.277   8.5410 20.45780 10.17571 
1 1 1   12    9    3 o  268.023   3.6937  718.620   19.789 7.219971 7.387413 
1 1 1   12    9    4 o  196.550   3.4602  380.977   13.262 -12.61899 6.920446 
1 1 1   12    9    5 o  242.575   7.0798  589.951   34.347      ?      ? 
1 1 1   12    9    6 o  260.810   3.6672  680.858   19.119 -5.153046 7.334301 
1 1 1   12    9    7 f  246.734   4.1575  609.569   20.506 -8.701920 8.314910 
1 1 1   12    9    8 o  326.453   5.5597  1075.37   36.110 31.57703 11.11936 
1 1 1   12    9    9 o  402.347   5.1757  1623.48   41.619 -10.15759 10.35133 
1 1 1   12    9   10 o   91.555   4.9741   85.310   8.7598 -4.847183 9.948213 
1 1 1   12    9   11 o  194.072   3.5242  377.553   13.578 -0.7578125 7.048380 
1 1 1   12    9   12 o  224.335   3.6579  503.975   16.261 1.970428 7.315788 
1 1 1   12    9   13 f  273.162   4.3281  749.427   23.641 4.125427 8.656157 
1 1 1   12    9   14 o  172.347   3.3457  298.059   11.436 0.6367035 6.691468 
1 1 1   12    9   15 o  119.764   3.5628  145.684   8.3772 8.211899 7.125660 
1 1 1   12    9   16 o  126.189   4.4492  160.219   11.220 -0.8696289 8.898435 
1 1 1   12    9   17 o   75.239   6.2219   55.868   8.6505 -4.821213 12.44383 
1 1 1   12    9   18 o   24.116   7.7318  -3.7433   6.9345 -6.302158 15.46352 
1 1 1   12    9   19 o  161.198   3.0545  261.327   9.8429 0.1970825 6.109025 
1 1 1   12    9   20 o   62.848   7.4171   40.431   8.3674 2.958797 14.83421 
1 1 1   12    9   21 o   59.688   5.4160   36.069   6.3906 -4.587734 10.83200 
1 1 1   12    9   22 o   89.744   3.5491   81.397   6.3605 3.278069 7.098264 
1 1 1   12    9   24 o   34.076   9.3452   14.037   9.2912 -6.039577 18.69036 
1 1 1   12    9   25 o   69.532   6.1889   50.945   8.5910 -5.560715 12.37787 
1 1 1   12   10    0 f  337.666   8.8815  1150.37   59.783 0.000000 0.000000 
1 1 1   12   10    1 o  257.462   5.0881  664.488   26.181 6.186722 10.17621 
1 1 1   12   10    2 o  358.013   6.5786  1287.62   47.068 9.576141 13.15713 
1 1 1   12   10    3 o  207.256   4.8070  428.938   19.880 -17.02896 9.613938 
1 1 1   12   10    4 o   67.265   7.1788   47.851   8.9812 -24.70195 14.35756 
1 1 1   12   10    5 o  186.161   3.9949  349.743   14.154 4.359467 7.989710 
1 1 1   12   10    6 o  225.087   3.6573  509.643   16.399 13.01465 7.314596 
1 1 1   12   10    7 o  174.160   4.3819  302.231   14.958 -5.787430 8.763824 
1 1 1   12   10    8 o  216.480   5.5890  469.806   24.198      ?      ? 
1 1 1   12   10    9 o  140.871   4.4722  193.942   12.066 12.20880 8.944356 
1 1 1   12   10   10 o  192.463   3.8739  372.043   14.869 -2.552109 7.747862 
1 1 1   12   10   11 o   62.075   6.5000   39.844   7.7773 11.61089 13.00009 
1 1 1   12   10   12 o  111.204   5.6640  141.274   10.307 -28.87030 11.32797 
1 1 1   12   10   13 o  161.950   3.1444  262.900   10.176 3.561371 6.288867 
1 1 1   12   10   14 o  154.930   3.2759  240.831   10.089 0.1904449 6.551829 
1 1 1   12   10   15 o  112.404   3.5685  126.581   8.0092 7.623230 7.136916 
1 1 1   12   10   16 o  146.415   3.7380  215.617   10.944 -3.687927 7.475989 
1 1 1   12   10   17 o   87.899   4.5411   79.343   7.6715 5.311417 9.082259 
1 1 1   12   10   18 o   58.307   6.4523   36.238   6.9337 5.781437 12.90452 
1 1 1   12   10   19 f   89.681   3.9318   82.195   6.9496 6.674644 7.863649 
1 1 1   12   10   20 o   85.840   4.5621   73.061   7.4198 -6.435699 9.124178 
1 1 1   12   10   21 o   61.120   5.4616   38.585   6.4505 0.3105545E-01 10.92315 
1 1 1   12   10   22 f   61.762   10.771   40.580   13.191 10.30647 21.54201 
1 1 1   12   10   23 o   81.376   4.2422   68.624   6.6313 3.455215 8.484380 
1 1 1   12   10   24 o   70.467   4.1722   50.967   5.8744 3.299080 8.344429 
1 1 1   12   11    0 o  177.140   6.5917  315.633   23.283 0.000000 0.000000 
1 1 1   12   11    1 o  242.624   3.5939  589.804   17.438 3.821564 7.187791 
1 1 1   12   11    2 o  175.266   4.5045  308.280   15.783 5.014496 9.008921 
1 1 1   12   11    3 o  321.166   5.5166  1039.68   34.969 -6.598022 11.03328 
1 1 1   12   11    4 o   90.479   5.4743   81.718   9.8498 13.61356 10.94865 
1 1 1   12   11    5 f   70.535   5.9902   49.778   8.2375 1.979294 11.98050 
1 1 1   12   11    6 o   72.799   5.2216   53.183   7.5885 6.135605 10.44311 
1 1 1   12   11    7 o   94.423   4.4247   89.922   8.3234 5.665916 8.849363 
1 1 1   12   11    8 o  242.294   3.7737  590.650   18.175 -5.257416 7.547307 
1 1 1   12   11    9 o   81.203   4.6248   66.326   7.5098 0.4067230 9.249649 
1 1 1   12   11   10 o  152.675   3.5745  232.241   10.720 -5.946365 7.149016 
1 1 1   12   11   11 o  207.230   3.3407  430.859   13.840 4.485947 6.681407 
1 1 1   12   11   12 o  117.426   3.7235  138.733   8.7096 -1.610191 7.446952 
1 1 1   12   11   13 o   45.893   8.6301   21.661   7.9728 8.767799 17.26027 
1 1 1   12   11   14 o  121.359   3.4479  147.890   8.3590 -3.024963 6.895737 
1 1 1   12   11   15 o  102.681   3.6796  106.140   7.5456 -2.308426 7.359144 
1 1 1   12   11   16 o   75.060   5.5963   56.642   7.7784 -2.548866 11.19251 
1 1 1   12   11   17 o   57.608   5.8011   34.412   6.5622 4.800964 11.60218 
1 1 1   12   11   18 f   49.896   6.9946   26.654   6.8287 9.032574 13.98930 
1 1 1   12   11   19 o  107.566   3.5023  117.079   7.4876 -0.2830734 7.004564 
1 1 1   12   11   20 f   88.715   4.2238   79.088   7.3312 -4.813843 8.447546 
1 1 1   12   11   21 o   67.357   10.238   46.933   13.792      ?      ? 
1 1 1   12   11   22 o   37.470   7.7117   16.514   7.0628 18.60250 15.42340 
1 1 1   12   11   23 o   58.760   6.8632   39.751   7.2388 14.20163 13.72635 
1 1 1   12   11   24 o   88.107   5.7901   78.191   9.3329 1.852417 11.58011 
1 1 1   12   12    0 f  106.877   5.4883  116.587   11.568 0.000000 0.000000 
1 1 1   12   12    1 o  155.662   3.5754  244.782   10.939 -6.131973 7.150827 
1 1 1   12   12    2 o  121.586   3.6660  146.882   8.8104 7.544151 7.331905 
1 1 1   12   12    3 o   37.129   8.6533   13.214   7.4266 5.347931 17.30653 
1 1 1   12   12    4 o   74.983   4.8339   56.632   7.1633 15.23698 9.667880 
1 1 1   12   12    5 o   29.780   8.0161   6.1276   6.7300 -4.520601 16.03211 
1 1 1   12   12    6 o  126.301   3.5229  159.844   8.8473 -2.389816 7.045729 
1 1 1   12   12    7 o   59.058   5.6995   35.392   6.6829 -8.814182 11.39891 
1 1 1   12   12    8 o   92.505   3.9056   85.988   7.2213 -4.344002 7.811134 
1 1 1   12   12    9 o   77.733   4.5697   60.896   7.1005 -3.634346 9.139471 
1 1 1   12   12   10 f  117.057   3.5199  137.579   8.2386 -2.205444 7.039826 
1 1 1   12   12   11 o   73.610   9.4289   55.152   13.881      ?      ? 
1 1 1   12   12   12 o   59.545   6.2234   37.650   7.0059 15.81720 12.44677 
1 1 1   12   12   13 o   59.349   7.6091   35.263   8.1344 -5.723766 15.21821 
1 1 1   12   12   14 o   98.744   4.8201   98.834   9.5049 6.577599 9.640147 
1 1 1   12   12   15 o  135.874   3.7211  182.556   9.8485 11.88760 7.442194 
1 1 1   12   12   16 o   31.588   9.2780   5.1496   8.7389 2.250221 18.55594 
1 1 1   12   12   17 o   51.643   7.9593   28.152   7.8256 9.920715 15.91856 
1 1 1   12   12   18 o  105.906   5.4866  119.976   11.282 -19.01668 10.97326 
1 1 1   12   12   19 o  127.401   6.6249  163.607   16.880      ?      ? 
1 1 1   12   12   20 o  116.038   3.8679  137.224   8.9757 -2.172775 7.735829 
1 1 1   12   12   21 o   69.929   5.5779   51.381   7.7331 4.478493 11.15590 
1 1 1   12   12   22 o   39.157   8.4601   35.665   7.4965 9.634903 16.92013 
1 1 1   12   12   23 o   25.674   8.2854  -9.8878   8.0561 -16.28454 16.57076 
1 1 1   12   13    0 o   33.723   10.570   12.918   9.8694 0.000000 0.000000 
1 1 1   12   13    1 o  162.301   3.4787  265.584   11.199 5.323929 6.957496 
1 1 1   12   13    2 o   91.314   4.4227   83.937   7.9956 -0.4721756 8.845324 
1 1 1   12   13    3 o   94.337   3.9990   89.589   7.5423 -0.2782211 7.998011 
1 1 1   12   13    4 o   45.550   8.7417   22.271   7.9730 -2.448090 17.48347 
1 1 1   12   13    5 o  124.297   4.1969  155.544   10.382 -0.5912933 8.393737 
1 1 1   12   13    6 o   76.148   4.7914   58.317   7.2772 7.951683 9.582848 
1 1 1   12   13    7 o   26.205   8.0567  -1.4439   7.8230 -2.295959 16.11340 
1 1 1   12   13    8 o   58.888   6.0903   36.147   6.8696 -14.26323 12.18054 
1 1 1   12   13    9 o   96.100   3.9445   93.015   7.5670 8.365387 7.889036 
1 1 1   12   13   10 o   94.796   4.1585   90.489   7.8163 -2.514290 8.316978 
1 1 1   12   13   11 o   80.940   4.7586   66.032   7.5625 -3.159531 9.517156 
1 1 1   12   13   12 o   51.876   7.2584   28.827   7.2612 -1.049305 14.51673 
1 1 1   12   13   13 o   41.630   9.6735   19.829   9.3060 -11.43565 19.34692 
1 1 1   12   13   14 o   88.586   4.4302   79.520   7.8167 3.553955 8.860478 
1 1 1   12   13   15 o   57.042   6.3989   34.536   7.0701 9.013645 12.79787 
1 1 1   12   13   17 o   80.423   13.069   66.864   21.021      ?      ? 
1 1 1   12   13   18 o  181.838   4.9297  277.504   15.146 63.00581 9.859316 
1 1 1   12   13   19 o  144.018   5.1940  195.736   12.697 22.41441 10.38799 
1 1 1   12   13   20 f   26.899   8.5632  -1.9907   9.4425 2.963398 17.12632 
1 1 1   12   13   21 o   67.371   7.5617   43.489   9.5483 -27.25739 15.12341 
1 1 1   12   14    0 o  103.932   5.3994  110.733   11.089 0.000000 0.000000 
1 1 1   12   14    1 o   64.726   5.3567   42.997   6.8284 -13.18132 10.71334 
1 1 1   12   14    2 o   77.209   4.7251   60.348   7.2735 0.5205231 9.450255 
1 1 1   12   14    3 o   47.424   7.4131   24.513   6.8453 -8.699966 14.82623 
1 1 1   12   14    4 o   68.925   5.3100   48.011   7.2826 4.120728 10.62001 
1 1 1   12   14    5 o   80.140   5.1936   65.156   8.3081 -3.823380 10.38730 
1 1 1   12   14    6 o  147.765   3.9798  216.391   11.595 16.79053 7.959542 
1 1 1   12   14    7 o   46.112   9.0846   22.784   8.6632 7.514179 18.16929 
1 1 1   12   14    8 o  121.317   4.1162  146.923   9.7070 6.621124 8.232331 
1 1 1   12   14    9 o   46.235   8.3339   22.959   7.7597 -9.839684 16.66787 
1 1 1   12   14   10 o   75.481   5.8281   58.613   8.7528 -10.33640 11.65619 
1 1 1   12   14   11 o  109.464   4.0676  121.172   8.8278 -2.891342 8.135237 
1 1 1   12   14   12 o   31.710   8.2109   6.8983   7.2253 -14.19561 16.42181 
1 1 1   12   14   13 o   95.279   4.6127   92.915   8.6749 2.754829 9.225446 
1 1 1   12   14   14 o   95.248   7.5372   91.670   14.358      ?      ? 
1 1 1   12   14   15 o   20.820   7.0209 -12.3356   8.0957 -4.180222 14.04176 
1 1 1   12   14   16 o   60.978   6.5598   39.394   7.9465 2.882275 13.11960 
1 1 1   12   14   17 o   34.387   8.9200   11.487   8.1925 -6.084181 17.83998 
1 1 1   12   14   18 o   56.498   8.6192   42.446   9.4726 9.407913 17.23832 
1 1 1   12   14   19 o   31.905   9.7474  -0.5739   11.372 0.6738472 19.49480 
1 1 1   12   15    0 o   25.486   11.241   5.7546   11.380 0.000000 0.000000 
1 1 1   12   15    1 o   70.700   5.9993   51.478   8.4809 0.6970978E-01 11.99866 
1 1 1   12   15    2 o   50.506   7.8392   28.048   7.6479 4.574776 15.67848 
1 1 1   12   15    3 o   37.128   8.6897   13.343   7.4596 -9.702419 17.37942 
1 1 1   12   15    4 o   34.205   9.0458   10.478   8.2531 4.407722 18.09167 
1 1 1   12   15    5 o   73.072   5.5864   54.932   8.1482 -2.173836 11.17283 
1 1 1   12   15    6 o   43.825   8.5381   21.517   7.8406 -8.462292 17.07619 
1 1 1   12   15    7 o   35.314   8.7790   11.643   7.6078 8.000946 17.55800 
1 1 1   12   15    8 o   36.220   8.9250   12.813   8.4592 11.20535 17.84999 
1 1 1   12   15    9 o   77.598   6.1780   61.496   9.4382 -16.02122 12.35601 
1 1 1   12   15   10 o   47.669   9.0088   22.116   11.592 36.57063 18.01767 
1 1 1   12   15   11 o   78.758   11.344   63.614   17.868      ?      ? 
1 1 1   12   15   12 f   30.844   9.1919   8.7394   9.6665 0.5588474 18.38387 
1 1 1   12   15   13 f   37.787   9.4670   15.053   8.9156 3.563332 18.93396 
1 1 1   12   15   14 o   24.338   7.8474  -5.6251   8.4906 -0.9864159 15.69473 
1 1 1   12   15   15 o   43.566   9.4643   21.697   9.0670 -7.622997 18.92857 
1 1 1   12   15   16 o   50.743   9.6171   29.503   9.9619 -5.317345 19.23418 
1 1 1   12   15   17 o   46.819   10.828   24.317   11.810 -18.49259 21.65573 
1 1 1   12   16    0 o   26.472   12.370 -21.5823   16.397 0.000000 0.000000 
1 1 1   12   16    3 o  110.115   5.9080  123.018   12.978 -1.236877 11.81591 
1 1 1   12   16    4 o   46.435   11.079   20.981   12.266 -6.984112 22.15850 
1 1 1   12   16    5 o  113.033   10.596  130.390   23.954      ?      ? 
1 1 1   12   16    6 o   70.417   9.3558   54.297   12.129 -6.663933 18.71168 
1 1 1   12   16    7 o   30.956   9.6188   4.9985   11.805 -8.495037 19.23753 
1 1 1   12   16    8 o   86.156   5.2342   76.793   9.0134 4.237350 10.46836 
1 1 1   12   16    9 o   41.301   9.0375   18.995   8.4734 -11.22871 18.07500 
1 1 1   12   16   10 o   43.945   9.1745   21.748   8.6371 -8.343304 18.34904 
1 1 1   12   16   11 f   24.000   8.0048 -13.2678   10.223 -2.400887 16.00963 
1 1 1   12   16   12 o   38.835   9.9259   22.849   9.7132 1.121941 19.85178 
1 1 1   12   16   13 o   82.014   7.5975   70.379   12.309 -13.25216 15.19506 
1 1 1   12   16   14 o   43.441   11.579   21.820   13.679 -4.669601 23.15813 
1 1 1   12   17    0 o   41.526   15.611   21.738   13.821 0.000000 0.000000 
1 1 1   12   17    1 o   66.164   7.3110   47.017   9.6571 -0.8654480 14.62196 
1 1 1   12   17    2 o   43.885   9.3410   22.170   8.8655 0.7262917 18.68206 
1 1 1   12   17    3 o   70.743   7.3096   53.092   10.137 5.124771 14.61927 
1 1 1   12   17    4 o   66.435   10.009   49.621   11.488 0.4715424 20.01757 
1 1 1   12   17    5 o   45.704   9.5206   24.656   9.2843 3.109249 19.04126 
1 1 1   12   17    6 o   52.500   9.2972   33.051   9.6814 6.202835 18.59444 
1 1 1   12   17    7 o   19.866   6.8675   9.5284   9.1750 1.652834 13.73498 
1 1 1   12   17    8 o   26.486   8.6235  -7.1284   9.8136 -5.209208 17.24703 
1 1 1   12   17    9 o   52.529   10.302   29.923   11.109 -0.8212891 20.60407 
1 1 1   12   17   10 o   38.213   10.388   22.841   10.945 5.385468 20.77562 
1 1 1   13    0    1 o  190.510   3.7387  364.247   14.221 0.000000 0.000000 
1 1 1   13    0    2 o  102.153   3.1991  105.069   6.5051 0.000000 0.000000 
1 1 1   13    0    3 o  108.411   3.3077  118.300   7.1425 0.000000 0.000000 
1 1 1   13    0    4 o   69.269   4.9923   47.618   6.5371 0.000000 0.000000 
1 1 1   13    0    5 o  292.356   6.4756  872.255   36.603 0.000000 0.000000 
1 1 1   13    0    6 o  149.151   3.9226  220.986   10.219 0.000000 0.000000 
1 1 1   13    0    7 f  137.322   3.9100  184.948   9.3843 0.000000 0.000000 
1 1 1   13    0    8 o  102.402   4.3067  108.101   8.4494 0.000000 0.000000 
1 1 1   13    0    9 o  164.414   4.4610  271.593   13.841 0.000000 0.000000 
1 1 1   13    0   10 o  243.841   5.3133  590.644   22.348 0.000000 0.000000 
1 1 1   13    0   11 o  386.578   7.9511  1513.76   53.953 0.000000 0.000000 
1 1 1   13    0   12 o  101.094   4.3841  103.181   8.0370 0.000000 0.000000 
1 1 1   13    0   13 o  327.866   6.9014  1081.03   39.550 0.000000 0.000000 
1 1 1   13    0   14 o  303.364   6.5219  922.556   39.530 0.000000 0.000000 
1 1 1   13    0   15 f  260.298   5.8960  679.150   30.659 0.000000 0.000000 
1 1 1   13    0   16 o  152.587   5.1985  233.826   15.824 0.000000 0.000000 
1 1 1   13    0   17 o  457.142   9.4925  2098.79   86.705 0.000000 0.000000 
1 1 1   13    0   18 o  393.412   8.2707  1554.42   65.012 0.000000 0.000000 
1 1 1   13    0   19 o  273.042   7.6542  749.375   41.726 0.000000 0.000000 
1 1 1   13    0   20 o  116.602   7.5912  138.203   17.549 0.000000 0.000000 
1 1 1   13    0   21 o  117.909   7.2341  141.173   16.927 0.000000 0.000000 
1 1 1   13    0   22 o  137.034   6.5370  189.787   17.829 0.000000 0.000000 
1 1 1   13    0   23 o  100.639   10.214  105.402   20.176 0.000000 0.000000 
1 1 1   13    0   24 o   83.482   9.4077   73.188   15.364 0.000000 0.000000 
1 1 1   13    0   25 o  126.763   5.1261  162.232   12.950 0.000000 0.000000 
1 1 1   13    0   26 o  117.634   6.1532  143.078   14.293 0.000000 0.000000 
1 1 1   13    0   27 o   43.527   11.695   27.840   9.4169 0.000000 0.000000 
1 1 1   13    0   28 o   11.175   8.2719 -29.4991   11.845 0.000000 0.000000 
1 1 1   13    0   29 o   26.476   10.595   10.127   8.1780 0.000000 0.000000 
1 1 1   13    0   30 o   23.612   9.8208   13.294   7.1301 0.000000 0.000000 
1 1 1   13    1    0 o   90.309   4.1182   75.584   6.7840 0.000000 0.000000 
1 1 1   13    1    1 o  159.771   2.4092  255.521   7.6981 1.000183 4.818404 
1 1 1   13    1    2 o  203.913   2.8753  416.648   11.379 0.5645142 5.750557 
1 1 1   13    1    3 o   74.229   2.7903   55.053   4.0129 -0.6082382 5.580506 
1 1 1   13    1    4 o  330.334   5.3037  1093.65   35.040      ?      ? 
1 1 1   13    1    5 o  103.539   2.8970  108.059   5.6801 2.202568 5.794055 
1 1 1   13    1    6 o  213.423   3.0253  453.183   12.430 -5.120865 6.050650 
1 1 1   13    1    7 o  201.755   3.0516  406.586   12.167 -3.471893 6.103205 
1 1 1   13    1    8 o  171.388   3.3681  292.742   11.324 4.109863 6.736223 
1 1 1   13    1    9 o  158.149   2.7722  251.169   8.7049 -4.684036 5.544474 
1 1 1   13    1   10 o  187.509   3.2890  351.602   11.172 0.3927917 6.577968 
1 1 1   13    1   11 o  192.439   3.3991  375.328   11.941 -6.011581 6.798150 
1 1 1   13    1   12 o  458.988   6.8261  2112.85   56.490 0.4667053 13.65223 
1 1 1   13    1   13 o  512.316   6.6256  2634.75   65.733 0.4495239 13.25116 
1 1 1   13    1   14 o  435.511   6.3314  1900.66   55.066 14.66553 12.66282 
1 1 1   13    1   15 f  356.640   5.6607  1237.14   36.917 25.72208 11.32149 
1 1 1   13    1   16 o  205.429   3.4818  419.297   14.153 10.56401 6.963614 
1 1 1   13    1   17 o  309.338   4.4393  960.541   27.281 -3.199036 8.878574 
1 1 1   13    1   18 o  266.888   4.4717  728.328   23.380 -33.87572 8.943359 
1 1 1   13    1   19 o  328.579   4.6729  1086.09   30.501 -4.669403 9.345797 
1 1 1   13    1   20 o  132.079   3.8550  174.863   10.163 -11.72332 7.710073 
1 1 1   13    1   21 o  127.687   4.4773  157.140   10.842 16.29655 8.954510 
1 1 1   13    1   22 o  140.012   4.0595  197.972   11.305 -16.97285 8.119000 
1 1 1   13    1   23 o   49.184   6.9867   25.445   8.2250 46.40763 13.97341 
1 1 1   13    1   24 o   95.971   3.8620   91.860   7.3030 6.039818 7.724015 
1 1 1   13    1   25 o  160.050   3.0740  257.057   9.4923 1.728867 6.148038 
1 1 1   13    1   26 o  136.837   3.2353  188.990   8.7726 -0.2622986 6.470651 
1 1 1   13    1   27 o   81.008   4.4982   67.537   7.2492 -0.4721603 8.996398 
1 1 1   13    1   28 o   38.116   8.5260   15.265   7.2567 11.23275 17.05207 
1 1 1   13    1   29 o   42.120   7.9992   19.287   6.7123 6.571682 15.99839 
1 1 1   13    2    0 o   85.746   4.1004   72.571   6.0793 0.000000 0.000000 
1 1 1   13    2    1 o  359.195   4.6798  1299.23   32.734 -5.775879 9.359624 
1 1 1   13    2    2 o   85.058   2.6436   70.055   4.3034 9.174889 5.287293 
1 1 1   13    2    3 o  316.725   4.3766  1002.35   27.293 6.612885 8.753243 
1 1 1   13    2    4 o  112.705   2.7314  125.983   6.1239 10.24213 5.462870 
1 1 1   13    2    5 o  220.309   3.2446  484.624   14.075 4.102478 6.489230 
1 1 1   13    2    6 o  202.784   3.3994  409.937   12.298 2.136353 6.798824 
1 1 1   13    2    7 o  187.462   4.3333  324.443   11.126 20.17728 8.666545 
1 1 1   13    2    8 o  191.864   3.5082  356.592   12.153 14.22166 7.016365 
1 1 1   13    2    9 f  178.406   2.9496  319.116   10.394 -1.866608 5.899188 
1 1 1   13    2   10 o  122.822   3.0504  151.082   7.4862 -2.089096 6.100741 
1 1 1   13    2   11 o  295.001   3.8264  871.430   22.575 -0.2485657 7.652725 
1 1 1   13    2   12 o   95.053   3.3662   91.373   6.2702 5.370483 6.732349 
1 1 1   13    2   13 o  503.200   7.2816  2545.49   73.279 3.503510 14.56315 
1 1 1   13    2   14 o  440.421   6.0053  1945.14   52.331 2.137054 12.01056 
1 1 1   13    2   15 o  163.216   4.2416  266.110   13.768 -4.113602 8.483232 
1 1 1   13    2   16 o  180.932   3.1912  328.177   11.310 -1.105209 6.382363 
1 1 1   13    2   17 o  301.362   4.1590  901.444   24.065 10.28391 8.317929 
1 1 1   13    2   18 o  317.342   5.1580  977.303   29.741 24.62180 10.31594 
1 1 1   13    2   19 o  308.666   4.4068  958.020   26.967 -2.948242 8.813690 
1 1 1   13    2   20 f  298.849   4.1421  890.097   23.758 7.994568 8.284271 
1 1 1   13    2   21 o  129.394   3.9617  167.603   10.226 -8.234528 7.923340 
1 1 1   13    2   22 o  208.351   3.8006  435.546   15.772 -5.800522 7.601139 
1 1 1   13    2   23 o  197.956   3.3106  395.250   13.068 -13.19281 6.621109 
1 1 1   13    2   24 o   43.844   6.7428   20.181   5.6681 4.087925 13.48568 
1 1 1   13    2   25 o  164.466   3.0819  271.957   10.001 1.505295 6.163755 
1 1 1   13    2   26 o  109.878   3.1350  118.895   6.6405 9.372505 6.270019 
1 1 1   13    2   27 o   85.921   5.9082   73.939   8.9056 3.799240 11.81641 
1 1 1   13    2   28 o   46.487   6.7235   25.924   5.8878 -8.457935 13.44710 
1 1 1   13    2   29 o   58.818   4.3511   32.282   4.8560 17.90694 8.702161 
1 1 1   13    3    0 o   70.353   6.2478   51.959   8.5556 0.000000 0.000000 
1 1 1   13    3    1 o  260.113   3.6741  678.893   18.957 2.525330 7.348164 
1 1 1   13    3    2 o  223.579   3.2612  501.680   14.477 3.552048 6.522455 
1 1 1   13    3    3 o  244.353   3.9937  596.490   18.288 -2.416428 7.987431 
1 1 1   13    3    4 o  136.112   2.6067  185.580   7.0358 0.4949341 5.213462 
1 1 1   13    3    5 o  124.210   2.6767  154.713   6.5251 -1.051903 5.353392 
1 1 1   13    3    6 f  171.081   4.1597  281.620   10.016 9.395737 8.319501 
1 1 1   13    3    7 o  318.035   4.8385  1017.27   27.828 -2.544342 9.676967 
1 1 1   13    3    8 o  159.233   2.7252  255.115   8.2815 -2.894440 5.450348 
1 1 1   13    3    9 o  143.377   3.8128  203.603   10.843 11.66168 7.625701 
1 1 1   13    3   10 o   85.527   3.3316   72.668   5.2715 1.665596 6.663134 
1 1 1   13    3   11 o  248.960   3.4847  619.718   16.675 1.031082 6.969391 
1 1 1   13    3   12 o  324.665   4.5488  1055.79   29.186 0.7577209 9.097590 
1 1 1   13    3   13 o  157.697   2.9799  247.844   8.9286 2.098587 5.959788 
1 1 1   13    3   14 o  407.890   6.1353  1672.36   45.215 -2.137238 12.27064 
1 1 1   13    3   15 o  209.705   3.3682  441.967   13.514 -2.781631 6.736395 
1 1 1   13    3   16 o  425.736   8.7461  1821.67   74.470      ?      ? 
1 1 1   13    3   17 o  299.605   4.7590  901.285   25.428 -0.6752625 9.518076 
1 1 1   13    3   18 o  134.118   5.3935  180.308   14.467      ?      ? 
1 1 1   13    3   19 o  145.950   3.7795  214.782   8.5999 -1.433487 7.558929 
1 1 1   13    3   20 o  238.088   5.4313  578.070   17.387 -5.155502 10.86253 
1 1 1   13    3   21 o  223.269   4.4809  503.829   19.680 -5.471970 8.961801 
1 1 1   13    3   22 o  196.846   4.7621  389.567   18.723 -12.34973 9.524141 
1 1 1   13    3   23 o   82.708   6.9071   63.101   9.5092 14.42702 13.81422 
1 1 1   13    3   24 o  141.624   5.3962  207.845   13.048 -5.798370 10.79249 
1 1 1   13    3   25 o   86.948   7.7514   86.457   10.688 -16.88658 15.50283 
1 1 1   13    3   26 o   78.882   7.2661   59.858   9.0662 9.172775 14.53217 
1 1 1   13    3   27 o  179.220   5.3502  323.064   19.177      ?      ? 
1 1 1   13    3   28 o   65.893   7.8967   48.239   8.8807 -6.496052 15.79339 
1 1 1   13    3   29 o   67.104   7.4743   51.635   8.3599 -10.47509 14.94870 
1 1 1   13    4    0 o   59.297   5.9058   37.202   6.5049 0.000000 0.000000 
1 1 1   13    4    1 o   80.317   3.0054   64.652   4.8221 -4.670677 6.010855 
1 1 1   13    4    2 o  194.615   3.6298  373.912   13.611 -10.45941 7.259685 
1 1 1   13    4    3 o  230.502   3.8160  529.070   16.481 4.054764 7.632094 
1 1 1   13    4    4 o  111.120   4.3077  123.630   9.5735      ?      ? 
1 1 1   13    4    5 o  238.204   5.1508  585.148   22.195 -16.50284 10.30167 
1 1 1   13    4    6 o  260.228   3.9764  678.489   20.695 -1.696198 7.952890 
1 1 1   13    4    7 o  296.870   4.1556  883.381   24.416 -0.9714661 8.311296 
1 1 1   13    4    8 o  140.520   2.8134  196.993   7.7554 2.196747 5.626763 
1 1 1   13    4    9 o  421.563   6.8826  1780.22   56.596 4.736969 13.76517 
1 1 1   13    4   10 o  336.675   5.3328  1135.35   33.666 0.5674438 10.66560 
1 1 1   13    4   11 o  275.403   4.5694  747.671   23.089 10.87415 9.138885 
1 1 1   13    4   12 o  289.442   4.9759  842.606   28.218 -4.966125 9.951735 
1 1 1   13    4   13 o  322.046   4.9994  1043.95   29.100 -3.461029 9.998753 
1 1 1   13    4   14 o  347.101   6.4369  1083.87   41.061 89.89832 12.87372 
1 1 1   13    4   15 o  140.314   6.2492  197.382   17.537      ?      ? 
1 1 1   13    4   16 o   77.414   6.1582   55.123   9.1043 29.53479 12.31632 
1 1 1   13    4   17 o  299.715   5.3435  890.883   30.954 14.23157 10.68706 
1 1 1   13    4   18 o  250.014   4.2299  634.930   18.889 -7.065781 8.459725 
1 1 1   13    4   19 o  118.972   6.5174  150.810   12.546 -11.94285 13.03478 
1 1 1   13    4   20 f  127.319   4.4759  163.907   10.706 -1.859909 8.951833 
1 1 1   13    4   21 o   83.772   7.2237   71.626   12.099 -0.2833862 14.44735 
1 1 1   13    4   22 o  117.056   5.7419  137.823   13.388 -12.89889 11.48380 
1 1 1   13    4   23 o   87.412   5.9109   80.468   9.8986 -12.46445 11.82185 
1 1 1   13    4   24 o  124.322   5.1108  158.308   12.623 -7.857254 10.22160 
1 1 1   13    4   25 o   79.655   6.9862   69.784   10.130 -14.01450 13.97249 
1 1 1   13    4   26 o   31.056   9.2386   0.2660   8.9253 16.62673 18.47712 
1 1 1   13    4   27 o   41.771   14.341   17.162   14.476      ?      ? 
1 1 1   13    4   28 o  101.679   5.4246  109.245   9.5874 -4.812630 10.84912 
1 1 1   13    4   29 o  110.634   5.7653  132.624   12.757      ?      ? 
1 1 1   13    5    0 o  266.030   7.0475  710.278   37.439 0.000000 0.000000 
1 1 1   13    5    1 o  277.683   4.4554  773.148   23.400 0.4405518 8.910888 
1 1 1   13    5    2 o  226.541   3.3681  515.104   15.164 4.976120 6.736184 
1 1 1   13    5    3 o  102.842   3.6002  106.409   7.3228 3.336975 7.200423 
1 1 1   13    5    4 o  141.215   3.0652  199.254   8.6459 -9.887772 6.130376 
1 1 1   13    5    5 o  527.954   7.1170  2806.53   74.567 6.904602 14.23400 
1 1 1   13    5    6 o  220.109   3.3241  483.302   14.478 -5.102448 6.648177 
1 1 1   13    5    7 o  154.877   2.8748  239.294   8.8449 -4.086868 5.749509 
1 1 1   13    5    8 o  324.464   4.8242  1054.07   31.283 6.772949 9.648497 
1 1 1   13    5    9 o   93.108   3.5185   85.985   6.5214 -10.00787 7.036968 
1 1 1   13    5   10 o  530.498   8.1397  2840.47   81.708 5.611633 16.27934 
1 1 1   13    5   11 o   88.900   5.9460   79.173   10.572      ?      ? 
1 1 1   13    5   12 f  249.728   3.7487  623.424   18.519 -2.804794 7.497480 
1 1 1   13    5   13 o  232.232   6.9418  540.660   32.242      ?      ? 
1 1 1   13    5   14 o   84.325   8.0869   89.890   10.761 -64.98955 16.17373 
1 1 1   13    5   15 o  231.983   3.6781  543.150   16.858 -12.35098 7.356261 
1 1 1   13    5   16 o  217.658   3.6517  460.757   15.163 20.53627 7.303350 
1 1 1   13    5   17 o  368.674   5.6740  1381.96   38.075 -10.18954 11.34806 
1 1 1   13    5   18 o  257.563   3.7595  665.263   18.426 0.5219727 7.518958 
1 1 1   13    5   19 o   53.396   8.9832   30.982   9.5907 14.28492 17.96632 
1 1 1   13    5   20 o  116.151   4.9489  134.872   11.341 -5.456985 9.897702 
1 1 1   13    5   21 o  107.478   5.7188  116.471   12.238 -14.26324 11.43767 
1 1 1   13    5   22 o  106.962   4.8353  113.522   9.6801 5.977440 9.670690 
1 1 1   13    5   23 o   93.120   5.3236   90.694   9.1623 -7.298103 10.64730 
1 1 1   13    5   24 o   35.695   9.6893   9.5941   9.2254 7.804117 19.37862 
1 1 1   13    5   25 o   50.385   9.8998   27.788   9.9096 5.278214 19.79962 
1 1 1   13    5   26 o   49.882   15.713   26.393   17.472      ?      ? 
1 1 1   13    5   27 o   30.485   9.2505   3.0179   9.3300 6.753376 18.50109 
1 1 1   13    5   28 f   86.517   6.1359   81.238   8.8525 -6.998276 12.27174 
1 1 1   13    5   29 o  232.709   7.2656  355.491   23.387 124.2763 14.53114 
1 1 1   13    6    0 o  150.147   3.8101  226.726   11.396 0.000000 0.000000 
1 1 1   13    6    1 o  269.052   4.1529  724.384   22.330 6.699402 8.305713 
1 1 1   13    6    2 o  179.631   3.0564  323.606   10.903 -3.166367 6.112847 
1 1 1   13    6    3 o  389.130   4.9254  1517.44   38.326 4.215393 9.850846 
1 1 1   13    6    4 o  355.868   4.5574  1267.76   32.411 7.854065 9.114799 
1 1 1   13    6    5 o  351.979   4.5060  1241.08   31.718 2.601990 9.012065 
1 1 1   13    6    6 o  362.054   4.6080  1313.18   33.364 2.317596 9.216033 
1 1 1   13    6    7 o  375.408   5.1452  1416.11   38.404 8.974152 10.29038 
1 1 1   13    6    8 o  162.771   2.8195  265.164   9.1782 -1.129654 5.639042 
1 1 1   13    6    9 o  169.953   3.1087  288.533   10.436 2.147141 6.217391 
1 1 1   13    6   10 o  192.955   3.6960  356.545   13.133 -20.86888 7.392065 
1 1 1   13    6   11 o  192.507   3.3224  372.145   12.749 15.21931 6.644783 
1 1 1   13    6   12 o  275.920   4.3528  762.894   24.019 4.024109 8.705514 
1 1 1   13    6   13 o  176.478   6.5225  312.314   23.022      ?      ? 
1 1 1   13    6   14 o   81.246   5.1175   68.333   7.9572 -10.25743 10.23502 
1 1 1   13    6   15 o  205.127   3.5092  423.212   14.311 -8.045166 7.018444 
1 1 1   13    6   16 o  159.472   3.8059  253.091   12.039 9.086639 7.611900 
1 1 1   13    6   17 o  118.789   3.6104  139.051   7.6092 4.412682 7.220716 
1 1 1   13    6   18 o   81.622   4.9361   69.192   6.5053 -4.735458 9.872132 
1 1 1   13    6   19 o  214.027   3.5819  458.451   14.811 2.563034 7.163761 
1 1 1   13    6   20 o  216.027   4.9079  470.605   21.198 2.403580 9.815870 
1 1 1   13    6   21 o  121.082   4.1921  148.286   10.128 -1.795013 8.384221 
1 1 1   13    6   22 o   48.555   8.5338   25.624   8.2279 0.3668213 17.06767 
1 1 1   13    6   23 o  127.473   4.5926  160.800   11.209 10.56509 9.185225 
1 1 1   13    6   24 o   95.061   5.8229   88.934   10.463 12.09531 11.64577 
1 1 1   13    6   25 o   26.454   8.7402 -11.2029   10.465 9.290358 17.48035 
1 1 1   13    6   27 o   44.466   10.074   20.140   8.4856 8.702263 20.14819 
1 1 1   13    7    0 o  221.306   6.5769  493.397   28.986 0.000000 0.000000 
1 1 1   13    7    1 o  279.443   3.7533  781.844   20.976 1.557251 7.506576 
1 1 1   13    7    2 o  662.977   8.2568  4422.24  109.482 -0.2885132 16.51368 
1 1 1   13    7    3 o  177.336   4.1856  304.384   14.592 -36.72345 8.371193 
1 1 1   13    7    4 o  292.405   3.8634  856.175   22.592 1.480835 7.726765 
1 1 1   13    7    5 o  157.191   2.8484  247.305   8.9539 -2.441635 5.696795 
1 1 1   13    7    6 o  165.703   2.8666  274.796   9.4988 -3.398361 5.733101 
1 1 1   13    7    7 o  201.177   3.3532  407.302   13.391 -10.12161 6.706341 
1 1 1   13    7    8 o  396.966   5.0487  1579.53   40.078 3.975891 10.09739 
1 1 1   13    7    9 o  260.393   3.8790  677.913   19.981 2.764404 7.758033 
1 1 1   13    7   10 o  216.362   4.1291  469.950   17.562 2.543213 8.258288 
1 1 1   13    7   11 o  215.402   3.7515  464.577   16.157 5.363510 7.502903 
1 1 1   13    7   12 o  152.680   3.5471  233.500   10.831 -0.8313293 7.094269 
1 1 1   13    7   13 o  238.497   4.0568  570.363   19.349 -1.113983 8.113626 
1 1 1   13    7   14 o  147.073   4.9627  208.753   14.097 -54.41459 9.925394 
1 1 1   13    7   15 o  156.899   3.0827  246.701   9.6722 -3.355591 6.165400 
1 1 1   13    7   16 o  185.740   3.4257  344.389   12.410 3.954788 6.851487 
1 1 1   13    7   17 o  154.560   3.6228  239.338   11.053 1.931305 7.245609 
1 1 1   13    7   18 o  276.156   4.0694  768.594   22.412 11.48795 8.138815 
1 1 1   13    7   19 o   83.271   6.3903   69.854   10.643      ?      ? 
1 1 1   13    7   20 o   79.909   4.4864   64.248   5.9416 0.2759933 8.972778 
1 1 1   13    7   21 o   99.762   4.6982  101.179   9.3517 -5.207825 9.396372 
1 1 1   13    7   22 o   75.073   6.8827   59.783   9.8354 -7.987648 13.76541 
1 1 1   13    7   23 o  142.786   4.7905  199.841   12.600 13.13060 9.581068 
1 1 1   13    7   24 o  128.344   6.7952  169.982   17.443      ?      ? 
1 1 1   13    7   25 o   64.649   14.594   45.151   18.424      ?      ? 
1 1 1   13    7   26 o   29.333   8.9435  -0.4993   9.1954 11.05886 17.88705 
1 1 1   13    7   27 o   47.988   10.546   19.710   8.2999 20.26067 21.09264 
1 1 1   13    7   28 o   84.730   10.447   74.254   17.703      ?      ? 
1 1 1   13    8    0 o   77.027   7.6126   59.093   10.967 0.000000 0.000000 
1 1 1   13    8    1 o  282.589   3.7970  799.573   21.457 3.459961 7.594026 
1 1 1   13    8    2 o  285.411   4.7224  813.021   25.176 -3.093231 9.444718 
1 1 1   13    8    3 f   84.891   4.5076   73.170   7.4689 5.750404 9.015215 
1 1 1   13    8    4 o  333.854   4.3442  1116.49   29.003 3.402222 8.688474 
1 1 1   13    8    5 o   91.416   4.2058   82.043   7.5322 8.586067 8.411547 
1 1 1   13    8    6 f  212.123   4.1356  447.170   17.139 -7.452454 8.271296 
1 1 1   13    8    7 o  502.920   8.9813  2547.58   90.281 -11.30908 17.96261 
1 1 1   13    8    8 o  246.709   3.5812  609.446   17.668 -3.093796 7.162448 
1 1 1   13    8    9 o  171.908   3.8527  294.497   12.520 -2.716949 7.705324 
1 1 1   13    8   10 o   82.784   5.3034   68.496   8.3772 -33.86256 10.60680 
1 1 1   13    8   11 o  138.994   3.6722  193.835   10.065 -0.9638062 7.344357 
1 1 1   13    8   12 o  130.775   3.3877  171.309   8.8593 1.553436 6.775361 
1 1 1   13    8   13 o   69.352   5.3610   48.329   7.4237 -5.522095 10.72208 
1 1 1   13    8   14 o  405.981   5.6229  1660.59   45.193 -0.5581055 11.24585 
1 1 1   13    8   15 o   64.076   5.6994   41.099   7.2221 -3.088413 11.39884 
1 1 1   13    8   16 o   91.584   5.1708   84.161   8.8088 -1.159752 10.34155 
1 1 1   13    8   17 o  121.945   3.3589  149.054   8.1829 3.909203 6.717790 
1 1 1   13    8   18 o  130.071   4.7656  170.268   12.388 4.795097 9.531285 
1 1 1   13    8   19 o  208.064   3.7761  440.249   15.245 -7.790543 7.552280 
1 1 1   13    8   20 o   62.058   5.1829   38.704   6.3556 13.59144 10.36580 
1 1 1   13    8   21 o   68.918   6.6275   46.672   7.8846 5.577896 13.25499 
1 1 1   13    8   22 o   40.399   10.167   13.992   10.219 -14.37659 20.33375 
1 1 1   13    8   23 o   28.911   8.8224  -1.1873   9.2568 -10.62170 17.64488 
1 1 1   13    8   24 o  138.771   5.4009  192.403   14.901 19.48254 10.80189 
1 1 1   13    8   25 o   80.188   5.8849   67.618   9.3412 -9.775673 11.76987 
1 1 1   13    8   26 o   88.087   5.6365   80.150   9.8319 -9.455078 11.27293 
1 1 1   13    9    0 o  283.450   7.9022  794.098   44.055 0.000000 0.000000 
1 1 1   13    9    2 o  245.020   5.1771  601.953   25.367 -3.760345 10.35421 
1 1 1   13    9    3 o  250.066   4.2388  626.349   21.194 4.625153 8.477604 
1 1 1   13    9    4 o   95.798   4.9738   92.197   9.5034 8.445358 9.947699 
1 1 1   13    9    5 o  288.058   4.5511  831.693   26.209 -3.497162 9.102210 
1 1 1   13    9    6 o  210.597   6.6225  444.792   27.893      ?      ? 
1 1 1   13    9    7 o  235.565   4.5451  546.166   20.555 -14.89104 9.090295 
1 1 1   13    9    8 o  146.634   4.4488  220.128   12.733 -17.57368 8.897601 
1 1 1   13    9    9 o  131.733   6.4936  174.178   17.108      ?      ? 
1 1 1   13    9   10 o  172.334   6.6718  298.035   22.996      ?      ? 
1 1 1   13    9   11 o  410.247   5.7032  1691.99   46.275 -3.151459 11.40638 
1 1 1   13    9   12 o  102.804   3.8564  106.198   7.9196 4.672188 7.712895 
1 1 1   13    9   13 o   90.246   4.0988   81.569   7.3864 -6.506607 8.197662 
1 1 1   13    9   14 o  168.514   3.1481  284.856   10.607 -0.1926575 6.296206 
1 1 1   13    9   15 o  165.189   3.3232  273.084   10.898 -3.732529 6.646358 
1 1 1   13    9   16 o   36.064   8.2707   12.801   7.2952 11.54333 16.54143 
1 1 1   13    9   17 o  271.421   4.9053  739.211   25.732 -6.403229 9.810661 
1 1 1   13    9   18 o  191.557   3.6329  367.092   13.799 -9.910202 7.265862 
1 1 1   13    9   19 o   51.268   6.8346   29.559   6.3839 12.48981 13.66928 
1 1 1   13    9   20 o   74.783   6.6582   58.498   8.8589 -3.110916 13.31647 
1 1 1   13    9   21 o   21.005   6.6804  -4.6080   5.7086 -7.756733 13.36086 
1 1 1   13    9   22 o   94.298   3.4865   90.539   6.5572 -9.272774 6.973004 
1 1 1   13    9   23 o   89.073   7.2370   73.724   11.812 19.05334 14.47400 
1 1 1   13    9   24 o   37.606   9.2894   14.611   8.8713 -8.095989 18.57878 
1 1 1   13    9   25 o   87.817   5.2830   81.363   9.1179 -18.28398 10.56599 
1 1 1   13    9   26 o  116.641   6.9979  137.660   16.325      ?      ? 
1 1 1   13   10    0 o  145.779   5.8669  205.113   16.092 0.000000 0.000000 
1 1 1   13   10    1 o  170.861   3.3260  292.413   11.365 -1.770538 6.651971 
1 1 1   13   10    2 o  252.382   4.2351  638.610   21.375 -5.222000 8.470145 
1 1 1   13   10    3 o  157.653   3.7547  248.698   11.829 7.441498 7.509437 
1 1 1   13   10    4 o  192.882   3.9990  371.201   14.605 -2.773407 7.997939 
1 1 1   13   10    5 o  226.905   3.7016  516.674   16.713 2.674698 7.403148 
1 1 1   13   10    6 o  246.587   4.5631  608.742   22.000 2.467972 9.126293 
1 1 1   13   10    7 o  191.743   4.2055  370.644   15.865 -6.011108 8.411098 
1 1 1   13   10    8 o   41.754   10.276   11.846   9.3611 -19.76407 20.55136 
1 1 1   13   10    9 o  105.902   3.9984  112.396   8.4610 6.151985 7.996866 
1 1 1   13   10   10 o  107.576   4.7352  112.225   9.5071 10.30077 9.470380 
1 1 1   13   10   11 o  170.527   4.8282  299.132   13.553 -7.379440 9.656495 
1 1 1   13   10   12 o  268.837   4.0189  726.536   21.394 0.1477661 8.037842 
1 1 1   13   10   13 f   94.279   3.9918   89.360   7.5261 1.130630 7.983562 
1 1 1   13   10   14 o  176.561   3.1802  313.052   11.230 -1.039322 6.360445 
1 1 1   13   10   15 o   78.361   6.4939   60.442   10.018 16.65527 12.98777 
1 1 1   13   10   16 o   55.278   6.6134   33.947   6.7555 20.65945 13.22686 
1 1 1   13   10   17 o  103.324   3.8887  106.180   7.8499 -6.854477 7.777337 
1 1 1   13   10   18 o  149.805   3.2011  226.181   9.5802 1.790421 6.402175 
1 1 1   13   10   19 o   53.113   6.7838   31.618   6.7609 21.57019 13.56759 
1 1 1   13   10   20 o   95.256   4.2953   92.665   7.8098 1.402191 8.590582 
1 1 1   13   10   21 o   50.744   7.1955   28.231   6.8964 7.923973 14.39098 
1 1 1   13   10   22 o   40.843   10.612   10.369   9.9980 22.84312 21.22309 
1 1 1   13   10   23 o   38.806   7.1206   16.435   5.5186 -5.436447 14.24129 
1 1 1   13   10   24 o   68.328   4.4570   48.021   6.0799 5.784729 8.914005 
1 1 1   13   11    0 o   55.900   11.124   38.433   10.935 0.000000 0.000000 
1 1 1   13   11    1 o  151.244   3.6745  230.047   10.940 2.647095 7.348998 
1 1 1   13   11    2 o   42.316   8.4095   18.681   7.4105 -0.6152992 16.81902 
1 1 1   13   11    3 o  103.309   4.0360  107.524   8.3031 -9.858589 8.071969 
1 1 1   13   11    4 o  175.026   3.7358  307.290   13.076 -2.123093 7.471608 
1 1 1   13   11    5 o  152.446   3.1669  232.821   9.6522 -4.831635 6.333717 
1 1 1   13   11    6 f   95.936   3.9424   92.246   7.5571 -4.973862 7.884881 
1 1 1   13   11    7 o   56.159   6.8674   32.182   7.4520 -1.858688 13.73482 
1 1 1   13   11    8 o   57.354   6.3111   33.935   7.0299 6.091190 12.62228 
1 1 1   13   11    9 o  123.832   3.4727  154.000   8.5987 -2.015091 6.945320 
1 1 1   13   11   10 o   87.900   5.4517   78.922   8.8395 2.950287 10.90347 
1 1 1   13   11   11 o   83.258   5.1197   71.037   8.2600 5.775398 10.23938 
1 1 1   13   11   12 o  135.980   3.3346  185.664   9.0681 0.4323120 6.669282 
1 1 1   13   11   13 f  119.270   4.0259  145.303   9.3923 -9.706947 8.051850 
1 1 1   13   11   14 o  108.286   4.0354  117.449   8.5297 3.756813 8.070799 
1 1 1   13   11   15 o   80.452   4.5886   65.941   7.2568 2.555862 9.177151 
1 1 1   13   11   16 o   77.516   4.4070   61.079   6.8049 2.660011 8.814085 
1 1 1   13   11   17 f  115.562   3.7442  134.745   8.5978 2.448280 7.488308 
1 1 1   13   11   18 o   93.610   3.9681   88.725   7.3859 -1.595993 7.936234 
1 1 1   13   11   19 o   47.176   8.0249   26.069   7.2638 10.02101 16.04975 
1 1 1   13   11   20 o  143.565   6.1961  206.692   14.973 109.0286 12.39227 
1 1 1   13   11   21 o   57.975   7.2143   39.207   7.7511 22.28898 14.42860 
1 1 1   13   11   22 o   30.601   7.5304   7.3675   6.8773 16.35820 15.06071 
1 1 1   13   11   23 o   34.506   7.7909   29.571   6.8598 14.34983 15.58172 
1 1 1   13   11   24 f   85.415   6.4297   75.190   10.984      ?      ? 
1 1 1   13   12    0 o  193.295   4.5638  373.996   17.551 0.000000 0.000000 
1 1 1   13   12    1 o   72.547   5.4203   53.361   7.7466 -2.398758 10.84068 
1 1 1   13   12    2 o   78.382   5.2703   62.372   8.0558 -2.601563 10.54057 
1 1 1   13   12    3 o   39.105   8.3206   15.789   7.0410 -2.169456 16.64119 
1 1 1   13   12    4 o   41.127   8.0853   17.787   6.9205 -4.839054 16.17054 
1 1 1   13   12    5 o  130.034   3.6347  168.851   9.3459 -5.003853 7.269431 
1 1 1   13   12    6 o  128.543   3.3046  165.819   8.4951 0.8111725 6.609149 
1 1 1   13   12    7 o   34.423   7.9838   11.154   6.6461 10.38133 15.96768 
1 1 1   13   12    8 o  122.123   3.5324  150.088   8.6059 -2.216446 7.064806 
1 1 1   13   12    9 o  105.273   4.1006  109.714   8.3976 -6.750351 8.201200 
1 1 1   13   12   10 o   98.532   3.9222   97.615   7.7247 -3.512802 7.844345 
1 1 1   13   12   11 o   54.536   6.3863   30.968   6.7894 2.248249 12.77259 
1 1 1   13   12   12 f   79.351   5.0002   64.216   7.8730 3.890366 10.00030 
1 1 1   13   12   13 o  107.940   4.1044  118.353   8.6800 2.405060 8.208870 
1 1 1   13   12   14 o   69.690   6.1007   49.855   8.4867 -5.911255 12.20146 
1 1 1   13   12   15 o   33.990   8.9848   10.007   8.2182 0.8471107 17.96964 
1 1 1   13   12   16 f   25.570   7.9570  -1.7193   7.6867 3.622305 15.91395 
1 1 1   13   12   17 o   87.215   5.3838   81.975   8.8810 -13.86034 10.76764 
1 1 1   13   12   18 o   60.425   12.833   39.071   15.040      ?      ? 
1 1 1   13   12   19 o   41.378   7.9540   19.852   7.5369 -25.99969 15.90802 
1 1 1   13   12   20 o   80.945   4.8144   67.639   7.7439 -1.540459 9.628839 
1 1 1   13   12   21 o   87.183   4.7515   79.202   8.1789 5.546303 9.503086 
1 1 1   13   12   22 o   52.210   8.9381   29.004   9.2350 -9.909103 17.87628 
1 1 1   13   13    0 o  151.874   4.6344  232.645   14.014 0.000000 0.000000 
1 1 1   13   13    1 o   86.774   4.3758   75.939   7.5787 5.983589 8.751563 
1 1 1   13   13    2 o   94.017   6.8713   76.139   10.519 -76.77911 13.74267 
1 1 1   13   13    3 o   92.332   4.9311   84.772   9.0236 -17.16740 9.862266 
1 1 1   13   13    4 o  129.116   5.4153  168.770   13.934 -2.800575 10.83070 
1 1 1   13   13    5 o   34.896   9.2558   9.7263   8.7678 -1.942696 18.51169 
1 1 1   13   13    6 o  100.359   4.2320  102.320   8.4276 6.110779 8.463911 
1 1 1   13   13    7 o  117.675   3.6136  139.472   8.4424 0.6658478 7.227256 
1 1 1   13   13    8 o   97.526   3.8663   96.188   7.5213 -6.001701 7.732674 
1 1 1   13   13    9 o  123.227   3.6625  153.024   8.9949 -1.308693 7.325101 
1 1 1   13   13   10 o   39.395   8.6034   15.937   7.5739 -9.697601 17.20677 
1 1 1   13   13   11 o   46.596   7.9500   23.566   7.3328 -0.7930756E-02 15.90005 
1 1 1   13   13   12 o  129.199   4.9063  168.580   12.678      ?      ? 
1 1 1   13   13   13 o  100.340   5.1806  106.376   9.4733 -9.501762 10.36125 
1 1 1   13   13   14 o   35.798   9.0209   12.405   8.0754 -3.076015 18.04181 
1 1 1   13   13   15 o   31.912   8.4113   7.6733   7.7042 -12.49014 16.82250 
1 1 1   13   13   16 f  309.371   9.0595  971.021   56.055      ?      ? 
1 1 1   13   13   17 o   91.552   6.3175   95.438   11.405 12.75181 12.63508 
1 1 1   13   13   18 o  110.373   5.0031  119.931   10.756 29.44301 10.00619 
1 1 1   13   13   19 f   36.510   9.8009   13.077   9.7375 -0.2131691 19.60180 
1 1 1   13   13   20 o   27.557   8.8504  -6.3465   10.232 7.223774 17.70075 
1 1 1   13   14    0 o  114.529   5.8549  134.725   12.665 0.000000 0.000000 
1 1 1   13   14    1 o   89.803   4.5945   81.755   8.2516 -1.012062 9.188908 
1 1 1   13   14    2 o   38.075   8.5974   15.037   7.4004 -2.645092 17.19477 
1 1 1   13   14    3 o  110.645   4.0219  123.821   8.8975 0.9801941 8.043834 
1 1 1   13   14    4 o   35.392   8.0274   11.922   7.2565 16.26641 16.05485 
1 1 1   13   14    5 o  113.996   4.6751  131.991   10.490 0.2733612 9.350113 
1 1 1   13   14    6 o   42.479   9.5574   19.330   8.7392 2.417950 19.11488 
1 1 1   13   14    7 o   33.883   9.2737   8.3945   8.3822 -5.979506 18.54742 
1 1 1   13   14    8 o   27.457   8.3122  -1.8009   8.7476 -8.114088 16.62440 
1 1 1   13   14    9 o   26.202   8.5769  -8.9731   10.013 4.126148 17.15374 
1 1 1   13   14   10 o   42.318   8.9069   19.628   7.9605 0.7113762 17.81374 
1 1 1   13   14   11 o   70.611   5.9152   53.273   7.9560 9.440369 11.83042 
1 1 1   13   14   12 o   28.895   8.8023   1.3471   9.2501 -2.708487 17.60457 
1 1 1   13   14   13 o  111.507   5.5231  118.370   11.937 -34.86488 11.04628 
1 1 1   13   14   14 o   29.802   8.7698   3.4647   8.7557 3.672630 17.53950 
1 1 1   13   14   15 f   28.456   8.5414  -0.9989   8.5703 -12.18254 17.08281 
1 1 1   13   14   16 o   26.302   8.3497  -3.3145   8.9522 -3.494619 16.69931 
1 1 1   13   14   17 o   32.110   9.1387   6.3830   9.5885 8.612236 18.27736 
1 1 1   13   14   18 o   29.253   9.0229  -2.3973   10.254 4.533266 18.04572 
1 1 1   13   15    0 o   60.565   10.042   42.474   10.861 0.000000 0.000000 
1 1 1   13   15    1 o   57.917   7.0596   35.700   7.9054 -4.037945 14.11917 
1 1 1   13   15    2 o   46.638   8.1370   23.650   7.5593 7.840485 16.27406 
1 1 1   13   15    3 o   80.494   5.4095   67.119   8.6169 7.412842 10.81903 
1 1 1   13   15    4 o   80.309   5.5102   65.920   8.7837 -4.044525 11.02032 
1 1 1   13   15    5 o   57.919   7.1415   36.537   7.9126 -13.19331 14.28300 
1 1 1   13   15    6 o   56.237   7.9710   36.510   8.4195 -15.54054 15.94194 
1 1 1   13   15    7 o   46.750   9.1258   25.309   8.8251 2.531151 18.25163 
1 1 1   13   15    8 o   76.179   5.9808   58.571   9.0025 14.25044 11.96157 
1 1 1   13   15   10 o   54.638   10.984   28.381   14.447 -33.67340 21.96884 
1 1 1   13   15   11 o   85.768   7.1324   86.027   11.679 -6.851143 14.26483 
1 1 1   13   15   12 o   51.412   10.071   29.588   10.268 6.328499 20.14217 
1 1 1   13   15   13 o   28.814   8.5425   1.8566   8.8622 -7.455006 17.08492 
1 1 1   13   15   14 o   75.335   6.7910   59.072   10.075 11.73861 13.58203 
1 1 1   13   15   15 o   28.598   8.8960   14.344   10.163 -7.160910 17.79203 
1 1 1   13   15   16 f   80.743   7.2130   67.738   11.403 21.00310 14.42610 
1 1 1   13   16    0 o  203.746   7.2759  424.995   29.084 0.000000 0.000000 
1 1 1   13   16    1 o   78.444   9.3495   62.327   14.074 24.16304 18.69893 
1 1 1   13   16    2 o  105.894   8.6498  141.880   15.202 135.1814 17.29952 
1 1 1   13   16    3 o   35.107   9.6110   0.9043   10.331 22.26028 19.22195 
1 1 1   13   16    4 o   21.813   7.3210 -13.4291   8.6532 1.397118 14.64209 
1 1 1   13   16    5 o   19.694   6.8382 -21.1782   9.4449 -3.495277 13.67645 
1 1 1   13   16    6 o   28.848   8.5482   1.7893   8.7124 -9.020912 17.09646 
1 1 1   13   16    7 o   53.068   8.3923   31.602   8.6944 2.625946 16.78468 
1 1 1   13   16    8 o   74.861   6.4028   58.419   9.4974 -12.35851 12.80551 
1 1 1   13   16    9 f   50.785   8.4497   29.486   8.4272 2.395969 16.89931 
1 1 1   13   16   10 o   43.241   8.6863   19.519   8.5513 -23.53106 17.37260 
1 1 1   13   16   11 o   29.167   8.7776   11.345   8.9406 0.8249226 17.55524 
1 1 1   13   16   12 o   38.158   10.077   10.591   9.8532 -12.92696 20.15347 
1 1 1   13   16   13 o   42.685   10.705   18.968   10.860 -3.016479 21.40991 
1 1 1   13   17    0 o   19.910   9.8882 -11.5017   12.620 0.000000 0.000000 
1 1 1   13   17    1 o   69.492   6.9425   51.624   9.6196 -4.537323 13.88494 
1 1 1   13   17    2 o   82.115   5.6230   70.332   9.2015 -4.166443 11.24599 
1 1 1   13   17    3 o   27.191   8.6077  -4.9405   9.9280 7.567390 17.21530 
1 1 1   13   17    4 o   38.242   9.9106   15.103   10.096 13.12698 19.82113 
1 1 1   13   17    5 o   19.842   6.9055   13.889   9.6907 0.9272270 13.81103 
1 1 1   13   17    6 o  105.332   5.7930  117.742   11.928 -10.15195 11.58593 
1 1 1   13   17    7 o   46.636   10.043   23.692   10.489 10.30648 20.08610 
1 1 1   13   17    8 o   37.590   10.914   7.3896   12.595 3.889786 21.82761 
1 1 1   14    0    0 o  291.365   7.5367  854.292   43.790 0.000000 0.000000 
1 1 1   14    0    1 o  251.349   4.6814  633.285   23.473 0.000000 0.000000 
1 1 1   14    0    2 o  240.894   5.5347  588.805   25.378 0.000000 0.000000 
1 1 1   14    0    3 o  138.333   4.2492  190.378   10.898 0.000000 0.000000 
1 1 1   14    0    4 f  154.671   4.3310  237.087   12.583 0.000000 0.000000 
1 1 1   14    0    5 o  237.452   5.1980  569.831   21.599 0.000000 0.000000 
1 1 1   14    0    6 f  388.647   8.5132  1530.11   62.757 0.000000 0.000000 
1 1 1   14    0    7 o   33.075   9.7323   15.832   6.4208 0.000000 0.000000 
1 1 1   14    0    8 o  127.305   4.0045  163.875   9.0995 0.000000 0.000000 
1 1 1   14    0    9 o  188.733   4.4499  357.946   14.847 0.000000 0.000000 
1 1 1   14    0   10 o  228.726   5.0943  526.783   20.426 0.000000 0.000000 
1 1 1   14    0   11 o  270.713   5.8715  725.843   27.216 0.000000 0.000000 
1 1 1   14    0   12 o  349.803   7.2741  1235.52   44.508 0.000000 0.000000 
1 1 1   14    0   13 o  176.049   4.5500  317.836   14.490 0.000000 0.000000 
1 1 1   14    0   14 o  727.907   15.037  5299.92  185.617 0.000000 0.000000 
1 1 1   14    0   15 o  527.323   13.335  2818.08  140.198 0.000000 0.000000 
1 1 1   14    0   16 o  370.781   9.6530  1375.48   70.782 0.000000 0.000000 
1 1 1   14    0   17 o  663.868   13.765  4464.92  156.768 0.000000 0.000000 
1 1 1   14    0   18 o  354.565   7.5793  1250.56   45.980 0.000000 0.000000 
1 1 1   14    0   19 o  119.326   6.2224  139.137   14.222 0.000000 0.000000 
1 1 1   14    0   20 o  190.786   5.2292  336.645   16.610 0.000000 0.000000 
1 1 1   14    0   21 o  211.511   6.5253  450.228   27.546 0.000000 0.000000 
1 1 1   14    0   22 o   85.971   9.3409   81.615   13.848 0.000000 0.000000 
1 1 1   14    0   23 o   91.044   6.2583   83.118   9.7922 0.000000 0.000000 
1 1 1   14    0   24 o   64.576   8.7508   43.103   8.9727 0.000000 0.000000 
1 1 1   14    0   25 o   40.034   10.919   24.316   8.6626 0.000000 0.000000 
1 1 1   14    0   26 o   86.896   6.6001   78.667   9.5685 0.000000 0.000000 
1 1 1   14    0   28 o   60.550   10.103   42.907   9.8386 0.000000 0.000000 
1 1 1   14    0   29 o   76.419   8.4050   68.669   9.0159 0.000000 0.000000 
1 1 1   14    0   30 o  280.622   7.6892  795.455   42.406 0.000000 0.000000 
1 1 1   14    1    0 o  134.649   3.9152  176.398   8.9076 0.000000 0.000000 
1 1 1   14    1    1 o  302.011   4.1901  915.610   25.081 2.164520 8.380219 
1 1 1   14    1    2 o  135.872   3.9898  184.866   10.842      ?      ? 
1 1 1   14    1    3 o  135.045   2.8926  183.642   7.4204 2.450806 5.785286 
1 1 1   14    1    4 o  228.962   3.1973  526.209   14.205 1.892426 6.394578 
1 1 1   14    1    5 o  348.455   5.1189  1218.84   35.659 5.943176 10.23788 
1 1 1   14    1    6 o  306.658   4.5676  941.986   27.992 -7.636200 9.135283 
1 1 1   14    1    7 o  127.350   3.6373  162.003   9.2397 4.478271 7.274549 
1 1 1   14    1    8 o  268.350   3.6473  718.419   18.915 -3.923767 7.294658 
1 1 1   14    1    9 o  240.275   4.1999  577.412   20.089 -31.98460 8.399875 
1 1 1   14    1   10 o  233.718   3.3150  549.364   15.138 -5.320831 6.630091 
1 1 1   14    1   11 o  290.264   3.9174  846.107   22.141 -3.790619 7.834781 
1 1 1   14    1   12 o  449.454   7.2365  2009.18   64.616 -71.40402 14.47298 
1 1 1   14    1   13 o  269.162   4.3164  722.073   20.843 2.934784 8.632774 
1 1 1   14    1   14 o  316.020   4.9209  1003.00   28.175 -1.812500 9.841814 
1 1 1   14    1   15 o  332.180   7.1418  1106.73   47.447      ?      ? 
1 1 1   14    1   16 o  259.317   5.9777  674.046   31.002      ?      ? 
1 1 1   14    1   17 o  186.945   3.8897  358.545   13.947 -17.13243 7.779356 
1 1 1   14    1   18 o  209.329   3.5503  439.092   14.722 0.3038025E-01 7.100622 
1 1 1   14    1   19 o  174.533   3.7426  305.648   13.026 -0.3170471 7.485238 
1 1 1   14    1   20 o  314.680   4.5765  999.334   28.672 -12.64902 9.153007 
1 1 1   14    1   21 o  167.423   3.8466  286.211   12.433 -11.44656 7.693112 
1 1 1   14    1   22 o  205.822   4.6320  399.193   18.289 -46.52762 9.263987 
1 1 1   14    1   23 o   93.950   4.8697   94.979   8.5942 -27.23739 9.739479 
1 1 1   14    1   24 o  114.332   3.6350  132.002   8.2518 -0.4422531 7.270061 
1 1 1   14    1   25 o   69.161   5.2752   47.626   7.1623 9.372772 10.55037 
1 1 1   14    1   26 o   65.767   5.4460   43.020   7.0258 11.88651 10.89205 
1 1 1   14    1   28 o  137.423   3.6437  190.553   9.3395 1.742935 7.287460 
1 1 1   14    1   29 o   68.932   4.9258   47.727   6.5759 7.991661 9.851639 
1 1 1   14    1   30 o  107.158   4.3352  116.426   9.0723 -1.935959 8.670443 
1 1 1   14    2    0 f  137.917   4.1977  192.959   10.928 0.000000 0.000000 
1 1 1   14    2    1 o  364.830   4.9915  1334.93   35.980 -3.402954 9.982991 
1 1 1   14    2    2 o  112.514   2.6788  126.553   5.9413 1.056587 5.357626 
1 1 1   14    2    3 o  154.414   3.2842  235.456   9.8573 -9.057098 6.568313 
1 1 1   14    2    4 o  246.085   4.0433  604.695   18.658 2.701096 8.086515 
1 1 1   14    2    5 o  103.268   4.7775   79.138   8.3805 56.08896 9.554945 
1 1 1   14    2    6 o  212.633   3.9017  454.522   16.275 -3.933197 7.803387 
1 1 1   14    2    7 o  257.520   3.5433  665.539   17.663 -2.197632 7.086532 
1 1 1   14    2    8 f  424.880   5.5181  1812.20   45.411 -1.543610 11.03625 
1 1 1   14    2    9 o  344.582   6.2908  1108.54   41.041 72.52914 12.58168 
1 1 1   14    2   10 o  175.327   2.9990  304.516   10.252 7.700226 5.997957 
1 1 1   14    2   11 o  133.896   3.0083  179.295   7.8694 0.4501801 6.016541 
1 1 1   14    2   12 o  306.574   4.9531  953.672   29.011 -13.35043 9.906172 
1 1 1   14    2   13 o  202.854   3.9325  401.707   15.704 -49.25731 7.864963 
1 1 1   14    2   14 o  170.552   3.9157  282.311   13.111 27.34908 7.831324 
1 1 1   14    2   15 o  380.533   5.3338  1439.58   39.758 16.88132 10.66755 
1 1 1   14    2   16 o  233.214   7.0264  545.738   32.773      ?      ? 
1 1 1   14    2   17 o  142.538   3.6825  203.900   10.474 11.57237 7.364899 
1 1 1   14    2   18 o   60.889   7.2402   44.763   7.6447 -32.41994 14.48040 
1 1 1   14    2   19 o  113.009   4.1618  131.860   9.0639 -14.08657 8.323578 
1 1 1   14    2   20 o  210.797   5.3472  435.854   17.293 8.008728 10.69434 
1 1 1   14    2   21 o  243.269   3.5934  596.323   17.036 -3.855057 7.186814 
1 1 1   14    2   22 o  132.768   6.2649  177.522   16.636      ?      ? 
1 1 1   14    2   23 o   97.235   3.5238   94.758   6.8089 3.988823 7.047697 
1 1 1   14    2   24 o   44.724   6.4603   21.228   5.5138 0.5048981 12.92063 
1 1 1   14    2   25 o  168.773   3.0507  284.996   9.8773 4.056213 6.101461 
1 1 1   14    2   26 o   69.582   4.3014   49.087   5.9106 2.606476 8.602796 
1 1 1   14    2   27 o  234.415   4.0806  494.975   17.791 66.22540 8.161188 
1 1 1   14    2   28 o   54.741   5.0162   29.984   5.2481 5.398258 10.03240 
1 1 1   14    2   29 o   63.638   4.7205   42.098   5.8808 16.98189 9.441016 
1 1 1   14    2   30 o   45.433   5.9453   27.562   6.6383 46.93835 11.89060 
1 1 1   14    3    0 o   28.508   10.702   11.673   8.3907 0.000000 0.000000 
1 1 1   14    3    1 o  111.709   3.1215  125.082   6.6337 -0.3206100 6.243080 
1 1 1   14    3    2 o   83.401   4.2029   68.147   6.8821 -22.48372 8.405808 
1 1 1   14    3    3 o   67.717   4.2975   47.595   5.4302 -7.270599 8.595051 
1 1 1   14    3    4 o   60.182   6.1799   36.305   7.4384      ?      ? 
1 1 1   14    3    5 o  111.925   4.2905  125.414   9.6043      ?      ? 
1 1 1   14    3    6 o  206.118   3.5051  427.678   12.988 -2.576523 7.010104 
1 1 1   14    3    7 o   96.167   2.9593   92.499   5.3803 0.1798630 5.918612 
1 1 1   14    3    8 o  208.209   3.0687  436.042   12.351 -4.129196 6.137456 
1 1 1   14    3    9 o  100.891   3.2900  101.679   6.4602 0.8815918 6.580052 
1 1 1   14    3   10 f  404.452   5.2970  1630.48   41.089 7.865234 10.59400 
1 1 1   14    3   11 o  249.714   3.7034  624.926   18.283 -1.409119 7.406846 
1 1 1   14    3   12 o  659.632   8.5261  4355.96  107.895 12.98199 17.05222 
1 1 1   14    3   13 o  222.172   3.4941  494.386   15.300 -0.5896912 6.988163 
1 1 1   14    3   14 o   85.461   5.4745   76.930   8.7187 -13.64111 10.94895 
1 1 1   14    3   15 o  435.268   6.0321  1892.41   51.542 12.71790 12.06426 
1 1 1   14    3   16 o  274.334   4.6706  754.054   23.705 0.7429504 9.341119 
1 1 1   14    3   17 o  339.579   7.3235  1158.04   49.738      ?      ? 
1 1 1   14    3   18 o  110.436   6.2874  133.141   8.3538 -12.12853 12.57478 
1 1 1   14    3   19 o  191.929   5.1505  353.951   13.241 10.97723 10.30108 
1 1 1   14    3   20 o  209.254   3.9598  448.252   14.578 -8.632034 7.919555 
1 1 1   14    3   21 o  230.440   5.3682  521.032   16.015 7.228226 10.73640 
1 1 1   14    3   22 o  115.142   6.4911  144.087   13.261 -19.33501 12.98227 
1 1 1   14    3   23 o  102.975   6.6886  111.480   12.699 -7.742027 13.37712 
1 1 1   14    3   24 o  141.019   5.1281  194.789   11.316 7.262573 10.25611 
1 1 1   14    3   25 o  100.047   6.1412  100.237   9.4030 2.793137 12.28237 
1 1 1   14    3   26 o  101.597   5.3894  103.433   9.2396 5.421730 10.77878 
1 1 1   14    3   27 o   36.684   12.307   13.722   10.656      ?      ? 
1 1 1   14    3   28 f  156.594   4.4481  243.329   12.630 11.46262 8.896202 
1 1 1   14    4    1 o  112.979   5.2748  127.858   11.919      ?      ? 
1 1 1   14    4    2 o   97.757   6.1092   95.783   11.944      ?      ? 
1 1 1   14    4    3 o  117.598   2.8916  138.432   6.7063 0.1365662E-02 5.783156 
1 1 1   14    4    4 o  172.213   3.9090  280.650   13.025 37.90695 7.818002 
1 1 1   14    4    5 o  114.204   2.7434  130.433   6.2632 2.685249 5.486846 
1 1 1   14    4    6 o  173.050   2.7015  299.680   9.3498 -0.8909149 5.403019 
1 1 1   14    4    7 o  103.491   4.1062  104.566   8.1553 -41.28983 8.212377 
1 1 1   14    4    8 o  545.180   7.3563  2987.57   79.409 -1.585449 14.71251 
1 1 1   14    4    9 o  379.853   4.9779  1449.05   36.677 -3.375000 9.955893 
1 1 1   14    4   10 o  214.550   3.2417  459.139   13.294 2.541321 6.483491 
1 1 1   14    4   11 o  205.029   4.3994  419.318   17.970 9.762177 8.798864 
1 1 1   14    4   12 o  463.107   6.3214  2149.47   57.787 4.390869 12.64282 
1 1 1   14    4   13 o  342.864   6.3284  1171.17   43.138 23.31732 12.65687 
1 1 1   14    4   14 o   44.474   7.1963   16.202   9.9223 -44.45282 14.39266 
1 1 1   14    4   15 o  268.852   4.2913  722.421   23.037 -16.48859 8.582507 
1 1 1   14    4   16 o  467.667   6.1374  2205.34   55.701 -4.334473 12.27472 
1 1 1   14    4   17 o   61.543   9.6328   38.227   11.857      ?      ? 
1 1 1   14    4   18 o  138.642   3.4569  191.674   9.0869 2.463013 6.913846 
1 1 1   14    4   19 o  152.620   4.0561  232.076   11.627 3.540451 8.112198 
1 1 1   14    4   20 o  325.313   5.6449  1072.20   36.131 -5.767303 11.28972 
1 1 1   14    4   21 o  170.781   6.6040  293.863   22.557      ?      ? 
1 1 1   14    4   22 o  102.984   5.7115  108.923   11.676 -11.32587 11.42302 
1 1 1   14    4   23 o   53.908   9.0139   32.316   9.3249 -4.708000 18.02770 
1 1 1   14    4   24 o  134.345   4.6279  173.176   11.592 19.92834 9.255732 
1 1 1   14    4   25 o   53.678   9.1636   30.769   8.4955 2.353447 18.32727 
1 1 1   14    4   26 o  104.026   8.3241  110.115   17.318      ?      ? 
1 1 1   14    4   27 o  117.459   5.5286  137.678   11.433 10.44824 11.05715 
1 1 1   14    4   28 o  125.323   5.0225  156.987   11.333 9.209465 10.04494 
1 1 1   14    4   29 o  184.888   7.2168  346.835   26.686      ?      ? 
1 1 1   14    5    0 o   96.771   5.9392  103.638   9.7225 0.000000 0.000000 
1 1 1   14    5    1 o  210.117   3.5093  442.053   14.747 0.9888458 7.018541 
1 1 1   14    5    2 o  364.556   5.0053  1333.27   36.156 -2.006561 10.01053 
1 1 1   14    5    3 o  229.421   3.2086  526.834   14.722 1.239044 6.417252 
1 1 1   14    5    4 o  154.049   3.2293  237.490   9.9474 -1.864883 6.458547 
1 1 1   14    5    5 o  163.710   2.7530  268.203   9.0135 0.5943298E-01 5.506014 
1 1 1   14    5    6 o  325.938   4.5266  1065.71   29.287 3.659180 9.053270 
1 1 1   14    5    7 o  141.714   2.7789  201.044   7.8724 -4.852905 5.557881 
1 1 1   14    5    8 o  271.542   3.6384  738.215   19.758 -2.895966 7.276760 
1 1 1   14    5    9 o  287.601   3.8090  827.043   21.884 -8.925171 7.618011 
1 1 1   14    5   10 o  208.666   3.1014  434.867   12.927 -9.328491 6.202883 
1 1 1   14    5   11 o  223.162   3.2581  498.513   14.541 0.2865906 6.516134 
1 1 1   14    5   12 o  503.056   7.3474  2540.22   73.821 16.99399 14.69488 
1 1 1   14    5   13 o  398.264   6.2527  1601.85   47.105 -6.636597 12.50548 
1 1 1   14    5   14 o  163.979   3.7158  269.715   12.163 -12.05051 7.431510 
1 1 1   14    5   15 o  192.284   3.4282  371.257   12.578 -1.453156 6.856363 
1 1 1   14    5   16 o  196.209   4.0877  385.190   13.867 0.6650543 8.175427 
1 1 1   14    5   17 o   91.567   4.6654   83.850   8.0648 1.332001 9.330831 
1 1 1   14    5   18 o  136.979   4.4496  188.145   12.190      ?      ? 
1 1 1   14    5   19 o  107.543   4.1501  118.084   8.5332 -5.976151 8.300125 
1 1 1   14    5   20 o   94.592   5.1316   91.190   9.6134 -7.897728 10.26313 
1 1 1   14    5   21 o   62.715   8.2486   41.452   9.5722 -1.838135 16.49717 
1 1 1   14    5   22 o   71.513   6.7507   50.468   9.3385 10.82858 13.50134 
1 1 1   14    5   23 o   62.555   7.9868   44.906   8.5928 -14.01550 15.97354 
1 1 1   14    5   24 o   92.751   5.9631   83.681   10.182 12.33533 11.92630 
1 1 1   14    5   25 o  139.063   4.9768  183.678   11.257 17.60951 9.953527 
1 1 1   14    5   27 o  157.009   4.7542  251.884   13.746 2.878433 9.508358 
1 1 1   14    5   28 o   33.769   9.2295   12.781   8.7640 -7.421474 18.45909 
1 1 1   14    5   29 o   37.274   15.303   16.083   18.280      ?      ? 
1 1 1   14    6    0 o   98.469   6.6868  100.515   12.815 0.000000 0.000000 
1 1 1   14    6    1 o  272.819   3.9493  740.854   21.188 -8.692810 7.898672 
1 1 1   14    6    2 o  562.033   7.5741  3179.78   84.462 -7.222534 15.14828 
1 1 1   14    6    3 f  356.622   4.5752  1273.28   32.615 7.002319 9.150394 
1 1 1   14    6    4 o  292.097   3.8498  854.320   22.490 -1.055817 7.699621 
1 1 1   14    6    5 o  315.721   4.1046  998.347   25.918 0.7704163 8.209251 
1 1 1   14    6    6 o  353.771   4.5346  1253.99   32.083 1.821594 9.069250 
1 1 1   14    6    7 o  204.059   3.6021  412.095   14.582 -17.99702 7.204134 
1 1 1   14    6    8 o  282.517   4.0579  801.497   22.781 -6.767487 8.115896 
1 1 1   14    6    9 o   86.628   3.9146   75.265   6.7699 -5.704948 7.829187 
1 1 1   14    6   10 o  274.641   3.7210  755.141   20.436 2.586639 7.442051 
1 1 1   14    6   11 o  145.617   3.6674  213.772   10.262 3.585617 7.334771 
1 1 1   14    6   12 o  103.240   8.2378  107.061   17.010      ?      ? 
1 1 1   14    6   13 o  106.525   4.2032  113.136   8.7704 -2.839485 8.406500 
1 1 1   14    6   14 o  281.841   4.1588  797.082   23.195 -1.051697 8.317604 
1 1 1   14    6   15 f   22.502   7.3585  -8.7023   7.7210 -0.4539890 14.71694 
1 1 1   14    6   16 o  140.304   3.6129  195.645   9.6589 4.146317 7.225751 
1 1 1   14    6   17 o  248.271   3.8598  619.650   18.852 -1.879593 7.719642 
1 1 1   14    6   18 o  145.770   3.3927  215.876   9.1021 -4.714951 6.785322 
1 1 1   14    6   19 o   78.172   5.2011   63.368   7.2435 -4.939331 10.40230 
1 1 1   14    6   20 o  100.418   4.8062   96.685   7.8252 8.165352 9.612487 
1 1 1   14    6   21 o   60.409   8.1303   38.628   9.1962 -2.162758 16.26062 
1 1 1   14    6   22 o   91.676   4.9157   86.135   8.9235 -6.188255 9.831378 
1 1 1   14    6   23 o   36.604   9.0289   13.225   8.2120 -4.759872 18.05772 
1 1 1   14    6   24 o   80.827   7.1913   68.273   11.179 1.612694 14.38252 
1 1 1   14    6   26 o   62.138   7.7822   40.028   9.6714      ?      ? 
1 1 1   14    6   27 o   55.486   10.827   33.294   8.6740 0.3179932E-01 21.65368 
1 1 1   14    6   28 o  332.902   7.3157  1122.90   48.708      ?      ? 
1 1 1   14    7    0 o  106.802   5.0716  115.922   10.716 0.000000 0.000000 
1 1 1   14    7    1 o  211.234   4.5589  447.089   19.258 0.9590149 9.117831 
1 1 1   14    7    2 o  417.933   6.5052  1754.66   51.247 1.015503 13.01036 
1 1 1   14    7    3 o  311.667   4.0974  972.820   25.537 -3.384094 8.194861 
1 1 1   14    7    4 o  391.262   5.3783  1539.14   41.814 -9.238098 10.75670 
1 1 1   14    7    5 o  130.452   3.0733  170.317   8.0168 0.8399506 6.146684 
1 1 1   14    7    6 o  126.849   3.1223  161.101   7.9190 -1.671379 6.244537 
1 1 1   14    7    7 o  124.750   3.7276  155.943   9.2901 -6.887306 7.455296 
1 1 1   14    7    8 o   92.452   4.7934   86.332   8.6566 -25.27595 9.586729 
1 1 1   14    7    9 o   54.118   7.8447   30.616   8.2064 -2.651936 15.68933 
1 1 1   14    7   10 o  139.831   4.4851  193.572   12.218 -7.428360 8.970280 
1 1 1   14    7   11 o   64.165   7.0062   43.118   8.4832 -19.47673 14.01231 
1 1 1   14    7   12 o  256.738   4.4078  657.052   21.243 4.498718 8.815611 
1 1 1   14    7   13 o  415.774   6.6624  1688.09   50.105 27.93774 13.32480 
1 1 1   14    7   14 o  199.064   3.4947  395.212   13.732 -6.253677 6.989443 
1 1 1   14    7   15 o  322.353   5.2277  1058.46   32.253 13.69177 10.45550 
1 1 1   14    7   16 o  113.221   3.4656  128.748   7.8365 -2.262749 6.931148 
1 1 1   14    7   17 o  149.968   3.4838  225.771   10.065 0.2847290E-01 6.967667 
1 1 1   14    7   18 o  310.687   4.8892  972.111   30.294 10.76071 9.778368 
1 1 1   14    7   19 o  202.382   4.1795  420.011   15.262 -9.137527 8.359016 
1 1 1   14    7   20 f  190.939   3.8601  365.507   12.497 1.330383 7.720127 
1 1 1   14    7   21 o   30.178   8.0763   4.7590   6.0549 14.71790 16.15268 
1 1 1   14    7   22 o   76.729   6.2114   60.820   9.4554 -12.82888 12.42282 
1 1 1   14    7   23 o   38.695   9.3683   15.227   9.0128 -8.968948 18.73667 
1 1 1   14    7   24 o   23.970   7.8354 -10.6722   9.0576 -3.381844 15.67079 
1 1 1   14    7   25 o   24.866   8.2543  -8.3551   10.159 4.807739 16.50862 
1 1 1   14    7   26 o   74.751   5.8538   58.392   8.6950 2.186745 11.70759 
1 1 1   14    7   27 o   17.603   8.6706 -16.9943   10.678      ?      ? 
1 1 1   14    8    0 o   62.772   8.7433   43.596   9.7685 0.000000 0.000000 
1 1 1   14    8    1 o   83.570   4.6927   68.906   7.7308 7.236122 9.385491 
1 1 1   14    8    2 o  209.963   3.2237  441.155   13.535 3.650009 6.447414 
1 1 1   14    8    3 o  121.462   3.3691  147.637   8.1828 -2.960114 6.738131 
1 1 1   14    8    4 f  280.225   4.1422  788.087   22.990 4.139374 8.284399 
1 1 1   14    8    5 o  203.738   4.4540  397.026   17.668 40.66533 8.907996 
1 1 1   14    8    6 o  164.701   4.4929  267.774   14.677 19.89920 8.985713 
1 1 1   14    8    7 o  332.769   5.0867  1110.84   33.847 2.811066 10.17335 
1 1 1   14    8    8 o  329.704   8.8242  1092.64   58.187      ?      ? 
1 1 1   14    8    9 f  152.422   3.5248  233.341   10.663 3.402390 7.049641 
1 1 1   14    8   10 o  205.579   3.8140  423.737   15.679 -2.136032 7.627976 
1 1 1   14    8   11 o  109.260   6.0431  114.227   12.264 -57.99427 12.08628 
1 1 1   14    8   12 o  179.432   3.5035  319.610   12.436 -11.17130 7.006999 
1 1 1   14    8   13 o  207.863   3.3099  433.150   13.758 -4.500275 6.619825 
1 1 1   14    8   14 o  239.829   3.7564  577.452   17.850 -0.3677063 7.512820 
1 1 1   14    8   15 o   76.015   4.8688   58.728   7.3377 -9.139580 9.737584 
1 1 1   14    8   16 o  115.164   5.4839  133.972   11.482 -0.5655289 10.96778 
1 1 1   14    8   17 o  142.105   3.8642  200.554   10.901 -23.62379 7.728456 
1 1 1   14    8   18 o   93.489   5.0764   86.420   8.3677 4.299232 10.15271 
1 1 1   14    8   19 f   81.141   4.2331   66.697   6.8511 -6.238083 8.466210 
1 1 1   14    8   20 o  104.742   5.3679  111.513   10.586 0.5919724 10.73579 
1 1 1   14    8   21 o  103.973   4.0470  104.483   7.3429 9.254776 8.093905 
1 1 1   14    8   22 o   83.901   5.9806   72.969   9.9936 0.6140747 11.96124 
1 1 1   14    8   23 o   23.141   11.128 -21.0459   15.065      ?      ? 
1 1 1   14    8   24 o   27.473   8.4092   4.5223   8.4974 0.2849388E-01 16.81842 
1 1 1   14    8   25 o   32.861   9.0314   7.9380   8.5918 9.267223 18.06288 
1 1 1   14    9    0 o  247.104   6.1133  616.889   28.785 0.000000 0.000000 
1 1 1   14    9    1 o  144.867   3.8307  210.298   11.097 1.372665 7.661453 
1 1 1   14    9    2 o  134.764   4.6652  181.471   12.540 13.99424 9.330424 
1 1 1   14    9    3 o  289.656   5.0969  842.802   29.055 -2.001282 10.19375 
1 1 1   14    9    4 o   88.093   9.0741   78.027   15.987      ?      ? 
1 1 1   14    9    5 o  268.100   4.8349  718.230   25.261 -4.487427 9.669848 
1 1 1   14    9    6 o  311.299   4.8053  970.327   29.860 -10.52777 9.610650 
1 1 1   14    9    7 o   72.341   5.9153   54.308   8.2337 10.47975 11.83063 
1 1 1   14    9    8 o  227.501   4.9245  518.624   22.407      ?      ? 
1 1 1   14    9    9 o  262.611   5.4215  693.212   28.464 -6.381622 10.84297 
1 1 1   14    9   10 o  222.493   4.0564  496.679   17.291 -0.2555847E-01 8.112775 
1 1 1   14    9   11 o  252.879   3.8811  641.047   19.449 2.375229 7.762239 
1 1 1   14    9   12 o  269.710   4.3120  730.956   23.256 -2.692688 8.623963 
1 1 1   14    9   13 o  139.842   3.6018  196.510   10.066 3.961914 7.203620 
1 1 1   14    9   14 o  139.863   3.5198  196.444   9.8222 0.1192932 7.039644 
1 1 1   14    9   15 o   26.193   7.8709   0.4930   7.0251 -3.791941 15.74171 
1 1 1   14    9   16 o  153.175   3.3651  234.379   10.253 7.367889 6.730111 
1 1 1   14    9   17 o   46.339   7.0553   23.447   6.5680 20.78651 14.11059 
1 1 1   14    9   18 o   55.726   7.3111   26.105   7.4275 -35.79970 14.62222 
1 1 1   14    9   19 o   76.437   5.2211   60.257   7.2676 2.794609 10.44216 
1 1 1   14    9   20 o   41.488   8.7224   18.620   7.5663 0.2022781 17.44479 
1 1 1   14    9   21 o   94.209   3.7177   89.511   6.9802 -10.65154 7.435313 
1 1 1   14    9   22 o   41.474   6.6632   7.5024   7.0808 -44.66582 13.32649 
1 1 1   14    9   23 o   23.133   7.4146  -6.8751   4.8003 21.52917 14.82922 
1 1 1   14    9   24 o   55.631   8.2527   35.129   8.7894 -3.622223 16.50537 
1 1 1   14   10    0 o  290.397   6.8289  861.813   38.298 0.000000 0.000000 
1 1 1   14   10    1 o  116.144   4.3139  135.299   10.018 3.397385 8.627775 
1 1 1   14   10    2 o  214.786   3.9050  462.456   16.773 -2.863693 7.809940 
1 1 1   14   10    3 o  219.597   4.4251  480.541   18.910 -6.098663 8.850128 
1 1 1   14   10    4 o  138.923   4.3865  187.307   11.740 -15.93988 8.773070 
1 1 1   14   10    5 o   60.839   7.3564   38.899   8.3709 -6.936478 14.71272 
1 1 1   14   10    6 o  220.040   3.6867  481.311   15.925 9.420242 7.373339 
1 1 1   14   10    7 o   75.108   4.9136   56.807   7.3680 2.399124 9.827230 
1 1 1   14   10    8 o   62.645   6.7133   40.723   7.8275 3.726376 13.42661 
1 1 1   14   10    9 o  153.516   3.8829  235.387   11.308 -2.363281 7.765702 
1 1 1   14   10   10 o   54.196   6.8313   30.206   7.2520 -3.883419 13.66263 
1 1 1   14   10   11 o  171.782   3.6560  298.413   12.199 -5.126907 7.312073 
1 1 1   14   10   12 o  120.891   3.4887  146.391   8.4241 8.296104 6.977455 
1 1 1   14   10   13 o  217.454   3.3679  474.932   14.644 -3.437134 6.735775 
1 1 1   14   10   14 o  133.361   4.0248  178.544   10.558 -1.297699 8.049633 
1 1 1   14   10   15 o   92.001   3.9239   85.452   7.2188 1.290756 7.847733 
1 1 1   14   10   16 o  121.397   4.4330  155.605   10.247 23.07004 8.866020 
1 1 1   14   10   17 o   87.266   4.0648   77.849   7.0191 9.773468 8.129587 
1 1 1   14   10   18 o   51.080   7.0542   27.977   6.9428 -2.850243 14.10831 
1 1 1   14   10   19 o  161.566   3.3404  263.580   10.763 -16.55717 6.680885 
1 1 1   14   10   20 o   49.784   8.6715   28.003   7.4060 4.271046 17.34303 
1 1 1   14   10   21 o  127.201   5.5821  168.685   13.226 58.35057 11.16426 
1 1 1   14   10   22 o   27.366   8.4411  -1.3296   8.4488 8.090294 16.88211 
1 1 1   14   10   23 o   61.111   4.8677   37.644   5.8671 -11.13054 9.735299 
1 1 1   14   10   24 o   46.324   6.8313   20.722   8.3337 49.44479 13.66269 
1 1 1   14   11    0 o  205.668   6.0195  415.134   22.163 0.000000 0.000000 
1 1 1   14   11    1 o  115.808   3.6243  134.538   8.3927 -3.272507 7.248571 
1 1 1   14   11    2 o   62.032   5.9180   38.847   7.3283 4.869888 11.83590 
1 1 1   14   11    3 o   45.526   8.4356   21.476   7.7060 6.108532 16.87112 
1 1 1   14   11    4 f   63.962   5.6574   41.423   7.1894 8.743126 11.31487 
1 1 1   14   11    5 o  151.964   3.2063  231.339   9.7396 -4.844177 6.412568 
1 1 1   14   11    6 o   85.170   4.3406   73.083   7.3754 3.746391 8.681165 
1 1 1   14   11    7 o  116.340   3.4815  136.201   8.0784 8.820633 6.963063 
1 1 1   14   11    8 f   88.970   4.1490   79.713   7.3657 1.213966 8.298087 
1 1 1   14   11    9 o   99.816   4.0513   99.908   8.0763 6.978630 8.102690 
1 1 1   14   11   10 o   55.649   6.7048   32.556   7.1538 13.45339 13.40951 
1 1 1   14   11   11 f  138.747   4.8081  194.318   13.270 1.841705 9.616298 
1 1 1   14   11   12 o   70.864   6.5394   51.788   8.5065 2.821480 13.07871 
1 1 1   14   11   13 o   53.185   6.6282   29.527   6.8859 4.847012 13.25643 
1 1 1   14   11   14 o  124.677   3.8960  157.229   9.6501 -2.255753 7.791943 
1 1 1   14   11   15 o  147.126   3.4673  218.718   10.093 2.004700 6.934528 
1 1 1   14   11   16 o   64.732   5.8116   43.223   7.4831 -4.359867 11.62321 
1 1 1   14   11   17 o  111.272   3.5905  125.264   7.9864 1.569290 7.180960 
1 1 1   14   11   18 o  145.127   3.6512  210.174   10.302 -9.448914 7.302480 
1 1 1   14   11   19 o  153.644   3.9066  232.369   11.808 18.89627 7.813256 
1 1 1   14   11   20 o   30.433   8.2077   6.4436   7.0705 -14.22756 16.41533 
1 1 1   14   11   21 o   56.901   6.5810   34.741   7.2063 -0.1552620 13.16198 
1 1 1   14   11   22 o   33.389   8.3678   11.515   6.9791 2.234516 16.73567 
1 1 1   14   12    0 o   33.802   12.932   16.931   11.867 0.000000 0.000000 
1 1 1   14   12    1 o   56.981   6.2419   32.942   7.1025 3.830730 12.48388 
1 1 1   14   12    2 o   86.056   4.9462   72.275   8.3155 12.44964 9.892350 
1 1 1   14   12    3 o  168.247   3.5122  282.003   11.558 6.016373 7.024442 
1 1 1   14   12    4 o   57.489   7.0849   35.739   7.6489 -15.17348 14.16986 
1 1 1   14   12    5 f   98.779   3.9613   98.126   7.8253 1.716370 7.922651 
1 1 1   14   12    6 o   38.378   8.1153   15.091   6.9643 10.92164 16.23051 
1 1 1   14   12    7 o   33.870   8.6143   9.9812   7.3795 -2.020611 17.22862 
1 1 1   14   12    8 o   51.018   7.7657   27.347   7.5800 -2.049122 15.53132 
1 1 1   14   12    9 o  152.332   3.2698  232.987   9.9526 9.213791 6.539651 
1 1 1   14   12   10 o  113.225   3.8037  130.651   8.4903 8.389091 7.607463 
1 1 1   14   12   11 o   54.740   7.0188   31.970   7.2468 5.864330 14.03760 
1 1 1   14   12   12 o   69.576   5.5771   49.720   7.6362 2.320709 11.15426 
1 1 1   14   12   13 o  123.710   4.0706  157.508   9.6685 -8.595612 8.141196 
1 1 1   14   12   14 o   93.245   4.9051   88.598   9.1309 7.871315 9.810188 
1 1 1   14   12   15 o  140.518   3.4032  199.558   9.5622 -2.694260 6.806427 
1 1 1   14   12   16 o   90.038   5.2157   84.585   8.8534 -4.577301 10.43150 
1 1 1   14   12   17 o   70.085   11.060   50.862   15.502      ?      ? 
1 1 1   14   12   18 o   87.901   5.5157   77.084   9.5597 18.61951 11.03149 
1 1 1   14   12   19 o  101.739   4.3416  104.698   8.7433 -8.043129 8.683209 
1 1 1   14   12   20 o   41.090   8.3481   19.450   7.8559 17.26375 16.69622 
1 1 1   14   12   21 o   18.529   6.3914  -1.4868   8.1439 5.097943 12.78275 
1 1 1   14   12   22 o   26.040   8.1826   0.9193   8.2537 -4.118582 16.36512 
1 1 1   14   13    0 o   22.112   10.892 -16.8281   16.282 0.000000 0.000000 
1 1 1   14   13    1 o   79.253   4.8517   63.450   7.6882 -2.463600 9.703303 
1 1 1   14   13    2 o   33.419   7.3851   6.5299   7.2377 25.21194 14.77029 
1 1 1   14   13    3 o   95.879   4.5039   94.159   8.4474 7.215187 9.007841 
1 1 1   14   13    4 o  134.865   3.3872  182.908   9.1295 7.012039 6.774431 
1 1 1   14   13    5 o   87.681   5.0065   78.227   8.4042 -1.083992 10.01298 
1 1 1   14   13    6 o   26.734   8.4690  -5.1105   9.3549 -2.296398 16.93806 
1 1 1   14   13    7 o   47.868   7.5878   24.949   7.0872 -7.684738 15.17552 
1 1 1   14   13    8 o  147.953   3.7068  220.992   10.969 0.5173645 7.413650 
1 1 1   14   13    9 o   32.825   8.5192   8.3113   7.5649 -10.26847 17.03832 
1 1 1   14   13   10 o   79.206   4.7769   63.796   7.5664 0.6487350 9.553743 
1 1 1   14   13   11 o  118.241   4.2178  141.750   9.9487 -11.74903 8.435665 
1 1 1   14   13   12 o   88.190   4.6080   78.965   8.1073 -8.744675 9.215937 
1 1 1   14   13   13 o   76.145   4.9934   59.590   7.5830 5.632896 9.986772 
1 1 1   14   13   14 o  102.430   4.2974  107.873   8.7474 0.8480606 8.594835 
1 1 1   14   13   15 o   64.285   11.710   43.640   14.498      ?      ? 
1 1 1   14   13   16 o   85.657   5.0191   78.806   8.4593 12.06831 10.03821 
1 1 1   14   13   17 o   52.858   8.2945   31.732   8.3790 6.724220 16.58891 
1 1 1   14   13   18 o   50.582   9.4416   30.281   9.2136 3.629505 18.88312 
1 1 1   14   13   20 o   90.382   10.644   91.571   17.705 61.72104 21.28746 
1 1 1   14   14    0 o   62.483   8.6530   43.828   9.6115 0.000000 0.000000 
1 1 1   14   14    1 f   95.869   3.9205   92.990   7.5103 1.974419 7.840932 
1 1 1   14   14    2 o   76.353   4.6882   59.198   7.1504 -0.4831543 9.376439 
1 1 1   14   14    3 o  100.370   3.9232  101.989   7.8648 4.038063 7.846336 
1 1 1   14   14    4 o   67.648   6.0655   45.187   8.0337 -13.02872 12.13103 
1 1 1   14   14    5 o   69.615   8.9765   55.262   9.6430 10.80746 17.95300 
1 1 1   14   14    6 o   62.919   8.2650   40.695   10.400      ?      ? 
1 1 1   14   14    7 o   30.176   9.6513  -5.8790   9.9101 -15.38380 19.30251 
1 1 1   14   14    8 o   40.702   9.0963   15.565   9.1773 -20.57104 18.19267 
1 1 1   14   14    9 o   29.160   8.6907   1.9897   8.7952 -4.282473 17.38142 
1 1 1   14   14   10 o   92.456   4.8882   87.040   8.6541 -1.981239 9.776375 
1 1 1   14   14   11 o   17.741   6.2720 -27.5483   8.2246 -4.791239 12.54403 
1 1 1   14   14   13 o   31.306   8.7841  -1.5957   10.306 -18.33340 17.56815 
1 1 1   14   14   14 o   77.368   5.5165   62.042   8.5353 -1.412796 11.03303 
1 1 1   14   14   15 o   29.457   8.5577   4.9532   8.0923 0.3567066 17.11542 
1 1 1   14   14   16 o   31.090   8.9546   6.3029   8.7964 2.673985 17.90918 
1 1 1   14   14   17 o   76.226   6.9032   65.366   10.518 3.485023 13.80632 
1 1 1   14   14   18 o   29.976   9.1096   1.6115   9.9494 2.700626 18.21912 
1 1 1   14   15    0 o   34.960   12.075   18.474   9.8072 0.000000 0.000000 
1 1 1   14   15    1 o   44.604   7.8214   21.926   6.9520 2.257782 15.64277 
1 1 1   14   15    2 o   74.659   5.5116   55.836   8.0524 -9.737068 11.02311 
1 1 1   14   15    3 o   46.642   9.1004   24.722   8.9454 -10.14454 18.20076 
1 1 1   14   15    4 o   48.099   7.7516   25.654   7.2934 -0.2844048 15.50325 
1 1 1   14   15    5 f   41.695   9.1563   19.929   8.4844 -4.029800 18.31261 
1 1 1   14   15    6 o   48.179   9.1618   25.432   8.7017 4.311581 18.32352 
1 1 1   14   15    7 o   31.251   9.1493   3.2820   9.3815 2.285122 18.29865 
1 1 1   14   15    8 o  153.243   5.0573  193.338   13.959 -86.88600 10.11467 
1 1 1   14   15    9 o   27.860   8.7533 -10.1016   10.655 12.61552 17.50669 
1 1 1   14   15   10 o   83.294   5.6939   72.489   9.3898 -10.56418 11.38771 
1 1 1   14   15   11 o   36.008   9.1911   13.180   8.5164 2.341080 18.38212 
1 1 1   14   15   12 o   67.036   8.3562   48.989   10.891 -10.54278 16.71237 
1 1 1   14   15   13 o   37.405   9.6901   14.386   9.7119 -6.247185 19.38029 
1 1 1   14   15   15 o   77.417   8.1160   59.792   11.580 -6.005707 16.23203 
1 1 1   14   16    0 o  119.642   10.094  158.522   23.822 0.000000 0.000000 
1 1 1   14   16    1 o   26.202   8.3900  -0.1104   9.3497 -0.5269375 16.78000 
1 1 1   14   16    2 o   39.462   9.1484   19.485   8.4493 -5.629696 18.29681 
1 1 1   14   16    3 o   39.938   8.4710   17.470   8.0480 -18.78318 16.94205 
1 1 1   14   16    4 o   34.459   9.2760   10.471   8.8266 -1.332085 18.55205 
1 1 1   14   16    5 o   52.338   8.5002   30.565   8.8016 -15.60226 17.00037 
1 1 1   14   16    6 o   28.786   8.6642   2.2015   8.7479 -4.878571 17.32845 
1 1 1   14   16    7 o   50.313   9.3384   29.673   9.6422 -10.09537 18.67687 
1 1 1   14   16    8 o   25.294   8.1868  -6.0322   9.3376 0.4808369 16.37353 
1 1 1   14   16    9 o   29.855   8.6008   5.4897   8.0494 -3.877085 17.20152 
1 1 1   14   16   11 o  101.192   5.5087   99.089   10.307 -11.93734 11.01750 
1 1 1   14   16   12 o   55.733   9.1627   38.420   9.9694 18.81055 18.32536 
1 1 1   14   17    0 o   16.498   8.4655   55.538   12.991 0.000000 0.000000 
1 1 1   14   17    3 o   53.762   8.3108   36.776   8.8119 12.03581 16.62160 
1 1 1   14   17    4 o   66.840   8.2143   48.481   10.512 -6.290192 16.42861 
1 1 1   14   17    5 o   29.660   13.171  -4.6299   15.694      ?      ? 
1 1 1   14   17    6 o   58.513   9.1009   37.415   10.104 3.177433 18.20181 
1 1 1   14   17    7 o   40.195   9.2314   17.536   9.7468 -26.63210 18.46276 
1 1 1   15    0    1 o   84.383   5.0438   73.994   7.7197 0.000000 0.000000 
1 1 1   15    0    2 o   90.509   3.9098   82.427   6.9901 0.000000 0.000000 
1 1 1   15    0    3 o  136.238   4.3707  190.167   11.451 0.000000 0.000000 
1 1 1   15    0    4 o  253.072   6.8184  644.876   34.390 0.000000 0.000000 
1 1 1   15    0    5 o  406.380   8.4089  1665.71   59.264 0.000000 0.000000 
1 1 1   15    0    6 o  337.457   7.0680  1144.12   41.250 0.000000 0.000000 
1 1 1   15    0    7 o  402.667   8.3182  1632.83   58.091 0.000000 0.000000 
1 1 1   15    0    8 o  353.349   7.3185  1267.19   45.472 0.000000 0.000000 
1 1 1   15    0    9 f   75.978   5.4592   58.362   7.3230 0.000000 0.000000 
1 1 1   15    0   10 o  432.440   8.8700  1900.91   67.470 0.000000 0.000000 
1 1 1   15    0   11 o  136.658   4.4011  191.191   10.933 0.000000 0.000000 
1 1 1   15    0   12 f   95.974   5.2725   93.727   9.1206 0.000000 0.000000 
1 1 1   15    0   13 o  235.023   5.3949  560.834   22.538 0.000000 0.000000 
1 1 1   15    0   14 o  497.545   10.447  2406.92   85.892 0.000000 0.000000 
1 1 1   15    0   15 o  234.522   5.6591  551.546   26.509 0.000000 0.000000 
1 1 1   15    0   16 o  332.092   7.0894  1117.62   41.514 0.000000 0.000000 
1 1 1   15    0   17 o  467.117   11.927  2196.08  110.394 0.000000 0.000000 
1 1 1   15    0   18 o  457.029   9.6240  2078.29   74.244 0.000000 0.000000 
1 1 1   15    0   19 o  309.978   7.2071  953.677   41.168 0.000000 0.000000 
1 1 1   15    0   20 o  282.596   7.7844  810.712   43.836 0.000000 0.000000 
1 1 1   15    0   21 o  141.901   5.3471  188.802   13.168 0.000000 0.000000 
1 1 1   15    0   22 o  105.065   6.3477  106.665   12.399 0.000000 0.000000 
1 1 1   15    0   23 o   34.368   12.279   16.715   9.3381 0.000000 0.000000 
1 1 1   15    0   24 o  106.209   5.4959  119.318   10.227 0.000000 0.000000 
1 1 1   15    0   25 o  108.796   6.6156  120.799   14.285 0.000000 0.000000 
1 1 1   15    0   26 o  102.880   6.1080   99.726   11.667 0.000000 0.000000 
1 1 1   15    0   28 o   68.719   8.0455   46.695   9.5316 0.000000 0.000000 
1 1 1   15    1    0 o  348.056   8.9633  1206.19   61.546 0.000000 0.000000 
1 1 1   15    1    1 o  352.715   5.8215  1248.43   40.145 2.335999 11.64299 
1 1 1   15    1    2 o  214.619   3.5664  448.318   13.466 -12.50305 7.132857 
1 1 1   15    1    3 f  164.420   3.3059  262.609   9.9577 -11.92122 6.611864 
1 1 1   15    1    4 o  169.326   5.3587  287.214   18.147      ?      ? 
1 1 1   15    1    5 o  280.643   3.7866  792.994   20.754 6.904327 7.573277 
1 1 1   15    1    6 o  346.939   4.5533  1209.61   30.727 4.002472 9.106608 
1 1 1   15    1    7 o  313.597   4.1601  988.174   25.419 4.504089 8.320114 
1 1 1   15    1    8 o  226.368   3.2116  510.171   14.051 -4.612228 6.423223 
1 1 1   15    1    9 f  272.892   4.7053  748.428   25.208 4.524109 9.410520 
1 1 1   15    1   10 o  258.859   3.4875  670.809   18.055 -1.447021 6.974915 
1 1 1   15    1   11 o  330.710   4.6096  1094.14   30.113 3.484680 9.219149 
1 1 1   15    1   12 o  146.301   3.9442  205.564   10.977 -64.59064 7.888473 
1 1 1   15    1   13 o  508.848   6.6107  2590.95   64.851 6.067627 13.22142 
1 1 1   15    1   14 o  206.011   4.6565  425.004   19.174 -6.639267 9.313004 
1 1 1   15    1   15 o  318.508   4.9128  1052.74   30.008 -47.78717 9.825625 
1 1 1   15    1   16 o  290.781   5.5626  847.700   32.350      ?      ? 
1 1 1   15    1   17 o  413.274   7.5401  1685.15   61.299 -48.37628 15.08024 
1 1 1   15    1   18 o  408.744   6.4570  1688.77   49.817 -2.492767 12.91398 
1 1 1   15    1   19 o  184.297   4.9959  348.110   13.859 -5.911743 9.991895 
1 1 1   15    1   20 o  221.638   4.8457  493.784   21.426 9.543259 9.691317 
1 1 1   15    1   21 o  167.834   3.3137  283.552   10.850 -1.799026 6.627321 
1 1 1   15    1   22 o  145.792   3.3269  213.570   9.4148 0.3974152 6.653706 
1 1 1   15    1   23 o   83.510   4.4317   70.948   7.1541 -1.876877 8.863317 
1 1 1   15    1   24 o  155.087   3.3519  242.155   10.222 1.011337 6.703752 
1 1 1   15    1   25 o  106.400   4.4433  102.168   8.5972 28.20002 8.886601 
1 1 1   15    1   26 o   40.858   7.8459   7.9330   10.017 40.91013 15.69176 
1 1 1   15    1   27 o   29.903   8.6293  -1.8113   8.5322 19.32203 17.25869 
1 1 1   15    1   28 o   99.680   4.0276  100.409   7.6894 3.597237 8.055107 
1 1 1   15    1   29 o   71.891   8.5741  145.539   9.2660 -25.90607 17.14827 
1 1 1   15    2    0 o  182.167   5.6077  331.882   20.255 0.000000 0.000000 
1 1 1   15    2    1 o  464.256   7.1664  2164.24   62.509 2.196747 14.33285 
1 1 1   15    2    2 o  343.808   6.2250  1177.25   42.517 24.78424 12.45010 
1 1 1   15    2    3 o  237.932   6.4941  567.569   30.903      ?      ? 
1 1 1   15    2    4 o  285.145   5.9174  785.787   23.855 14.41443 11.83486 
1 1 1   15    2    5 o   57.382   6.9286   33.021   7.9515      ?      ? 
1 1 1   15    2    6 o  126.190   3.5515  125.282   7.8652 61.18691 7.103097 
1 1 1   15    2    7 o  390.353   5.1144  1519.48   38.335 7.064789 10.22879 
1 1 1   15    2    8 o  306.363   4.1138  936.916   24.252 3.608032 8.227612 
1 1 1   15    2    9 o  292.449   4.1568  853.808   23.938 5.215546 8.313606 
1 1 1   15    2   10 o  291.611   5.4872  730.278   28.611 93.41670 10.97448 
1 1 1   15    2   11 o  115.334   4.2523  133.311   9.7935 8.303787 8.504699 
1 1 1   15    2   12 o  293.583   3.8921  862.720   22.843 5.146790 7.784236 
1 1 1   15    2   13 o  553.330   7.1581  3077.96   76.749 -1.553467 14.31613 
1 1 1   15    2   14 o  155.715   6.3018  243.075   19.626      ?      ? 
1 1 1   15    2   15 o  378.968   5.9981  1447.15   42.974 -3.853363 11.99616 
1 1 1   15    2   16 o  205.382   4.2137  424.645   17.110 -5.230255 8.427425 
1 1 1   15    2   17 o  110.290   5.2692  124.406   11.347 -10.95732 10.53840 
1 1 1   15    2   18 o  239.867   4.9008  578.414   23.457 -2.558975 9.801655 
1 1 1   15    2   19 o  114.949   3.8621  132.720   8.8739 -0.9878845 7.724265 
1 1 1   15    2   20 o  168.627   3.3738  284.155   11.250 4.806870 6.747659 
1 1 1   15    2   21 o   47.139   8.3542   24.200   7.9355 9.870068 16.70846 
1 1 1   15    2   22 o  103.781   3.7839  108.387   7.8445 5.247475 7.567712 
1 1 1   15    2   23 o  114.377   3.3023  127.524   7.2815 13.17220 6.604667 
1 1 1   15    2   24 o  168.686   3.1079  282.247   10.018 8.291336 6.215829 
1 1 1   15    2   25 o   55.745   6.2016   33.767   6.4948 -15.06733 12.40318 
1 1 1   15    2   26 o   79.753   6.7182   59.242   8.5995 72.48232 13.43631 
1 1 1   15    2   27 o   40.139   9.6381   19.238   7.5664 4.731655 19.27614 
1 1 1   15    2   28 o   38.502   6.9065   15.939   5.0224 2.229279 13.81301 
1 1 1   15    3    1 o  198.673   3.3371  395.250   13.260 -0.7182770 6.674169 
1 1 1   15    3    2 o  163.637   3.5113  256.247   10.952 -22.98109 7.022689 
1 1 1   15    3    3 o  171.020   3.2457  291.482   9.8770 1.647018 6.491372 
1 1 1   15    3    4 o  360.039   4.7398  1300.35   33.060 -1.175995 9.479537 
1 1 1   15    3    5 o  245.222   3.4337  601.380   16.236 0.9393921 6.867305 
1 1 1   15    3    6 o  228.658   3.8055  513.817   15.272 8.665298 7.610976 
1 1 1   15    3    7 o  395.896   5.9649  1559.28   42.078 6.740295 11.92971 
1 1 1   15    3    8 o  112.021   4.6810  125.609   10.488      ?      ? 
1 1 1   15    3    9 o  381.210   5.7644  1457.26   39.562 -0.2096252 11.52870 
1 1 1   15    3   10 o  503.443   7.4950  2546.14   67.937 0.1666260E-01 14.98994 
1 1 1   15    3   11 o  453.582   6.7982  2057.32   55.184 3.785675 13.59647 
1 1 1   15    3   12 o  228.512   5.2864  522.869   24.160      ?      ? 
1 1 1   15    3   13 o  239.874   5.7077  576.444   27.382      ?      ? 
1 1 1   15    3   14 o  338.096   6.3235  1118.11   41.891 43.47192 12.64692 
1 1 1   15    3   15 o  246.417   5.8347  628.989   25.047 -16.34114 11.66932 
1 1 1   15    3   16 f  174.741   6.1026  324.967   19.945 -36.37508 12.20522 
1 1 1   15    3   17 o   81.681   6.5658   67.034   10.726      ?      ? 
1 1 1   15    3   18 o   93.063   7.7197  102.553   8.8334 -21.01469 15.43949 
1 1 1   15    3   19 o  281.817   5.9199  825.737   23.918 -13.66306 11.83984 
1 1 1   15    3   20 o  136.413   5.2884  192.951   9.6870 -5.979614 10.57676 
1 1 1   15    3   21 o   87.617   7.9388   87.511   8.6627 -14.54957 15.87770 
1 1 1   15    3   22 o  187.467   4.9151  372.663   12.553 -13.77742 9.830171 
1 1 1   15    3   23 o   89.385   8.1898  104.435   10.599 -42.12037 16.37964 
1 1 1   15    3   24 o   58.141   8.9819   33.625   8.1466 4.877438 17.96379 
1 1 1   15    3   25 o  104.603   5.0823  103.966   8.9077 12.94980 10.16467 
1 1 1   15    3   26 o  250.852   7.0818  635.466   35.530      ?      ? 
1 1 1   15    3   27 o  133.704   5.0963  173.735   12.601 18.67242 10.19255 
1 1 1   15    3   28 o   40.263   10.123   15.770   9.3328 11.48193 20.24541 
1 1 1   15    4    0 o   78.588   7.2307   63.807   11.181 0.000000 0.000000 
1 1 1   15    4    1 o  173.831   2.9862  303.103   10.293 -3.011475 5.972376 
1 1 1   15    4    2 o  114.893   3.4632  124.585   7.3378 16.42036 6.926449 
1 1 1   15    4    3 o  383.425   4.8596  1473.21   37.260 4.221924 9.719231 
1 1 1   15    4    4 o  297.848   4.2042  889.982   24.855 3.836334 8.408403 
1 1 1   15    4    5 o  313.325   4.3872  985.141   27.293 4.539703 8.774412 
1 1 1   15    4    6 o  367.559   5.0469  1356.49   36.844 5.886810 10.09382 
1 1 1   15    4    7 o  194.349   3.8491  363.328   14.175 22.89969 7.698193 
1 1 1   15    4    8 o  405.561   5.5402  1653.04   44.607 -7.311981 11.08046 
1 1 1   15    4    9 o  354.702   5.6938  1187.32   35.472 42.71185 11.38754 
1 1 1   15    4   10 o  445.313   6.0699  1990.57   53.479 -0.5557556 12.13984 
1 1 1   15    4   11 o   89.659   5.5456   63.583   8.4445 68.76015 11.09128 
1 1 1   15    4   12 o  374.730   6.2754  1411.88   46.211 2.885040 12.55089 
1 1 1   15    4   13 o   91.506   7.3624   93.737   11.546 -48.81186 14.72483 
1 1 1   15    4   14 o  283.702   5.4477  806.567   30.910      ?      ? 
1 1 1   15    4   15 o  150.439   6.2424  227.090   18.782      ?      ? 
1 1 1   15    4   16 o  178.188   4.6152  303.492   16.007 37.86060 9.230463 
1 1 1   15    4   17 o  142.961   3.7620  205.973   10.666 -5.151749 7.523957 
1 1 1   15    4   18 o  351.774   5.6689  1242.21   37.123 3.751953 11.33778 
1 1 1   15    4   19 o  285.200   4.7608  831.276   25.797 -14.17935 9.521611 
1 1 1   15    4   20 o   68.151   7.5076   52.126   8.0416 -12.02847 15.01523 
1 1 1   15    4   21 f   90.679   5.1121   79.197   7.0963 6.351067 10.22416 
1 1 1   15    4   22 o  108.563   4.8674  118.710   9.6920 1.486427 9.734799 
1 1 1   15    4   23 f  193.733   5.4555  379.408   21.138      ?      ? 
1 1 1   15    4   24 o  127.167   4.6668  162.631   10.186 2.084564 9.333658 
1 1 1   15    4   25 o   47.811   10.633   24.315   10.349 12.19361 21.26529 
1 1 1   15    4   26 o   68.575   9.2885   48.159   12.739      ?      ? 
1 1 1   15    4   27 o  114.140   5.6912  133.527   11.497 3.269966 11.38242 
1 1 1   15    4   28 o   34.486   10.822   2.8617   8.5901 23.87146 21.64472 
1 1 1   15    4   29 o   37.643   9.5664   21.294   9.3544 -9.042377 19.13289 
1 1 1   15    5    0 o  326.024   8.5125  1070.79   55.339 0.000000 0.000000 
1 1 1   15    5    1 o  445.721   6.4778  1994.45   57.746 -0.6061096 12.95560 
1 1 1   15    5    2 o  118.135   4.3709  137.536   10.055 38.03622 8.741762 
1 1 1   15    5    3 o  232.831   3.2714  541.733   15.216 7.652374 6.542778 
1 1 1   15    5    4 o  347.320   4.4677  1208.29   31.031 -3.067169 8.935348 
1 1 1   15    5    5 o  315.294   4.1007  995.619   25.859 0.5612183E-01 8.201480 
1 1 1   15    5    6 o  165.215   2.8836  273.144   9.5264 1.054718 5.767106 
1 1 1   15    5    7 o  491.374   6.6609  2428.54   64.913 -5.636932 13.32185 
1 1 1   15    5    8 f  214.704   3.1585  461.408   13.562 -1.323593 6.317097 
1 1 1   15    5    9 o  482.530   6.0608  2336.68   58.487 -2.761993 12.12158 
1 1 1   15    5   10 o  383.941   4.9103  1477.45   37.705 0.8390503 9.820644 
1 1 1   15    5   11 o  412.968   5.6954  1710.40   46.490 1.681335 11.39070 
1 1 1   15    5   12 o  102.986   5.3358  106.357   10.903 0.7034454 10.67160 
1 1 1   15    5   13 o  202.114   4.0963  392.272   14.958 19.17154 8.192521 
1 1 1   15    5   14 o  175.817   4.0661  308.614   13.258 1.923965 8.132128 
1 1 1   15    5   15 o  116.620   4.0609  133.628   9.2289 9.947685 8.121768 
1 1 1   15    5   16 o   89.460   5.3781   80.723   9.5617 12.87038 10.75621 
1 1 1   15    5   17 o  189.785   3.3524  360.852   12.035 0.5017090 6.704801 
1 1 1   15    5   18 o   61.641   6.7036   41.356   7.0233 -9.049294 13.40726 
1 1 1   15    5   19 o  171.597   4.2565  297.162   14.188 -1.661652 8.512945 
1 1 1   15    5   20 o  271.022   4.8362  735.674   25.893 -59.51468 9.672351 
1 1 1   15    5   21 o  102.004   4.5419  105.323   9.2457 -0.5315552 9.083770 
1 1 1   15    5   22 o   90.561   5.4947   82.178   9.0229 3.367508 10.98932 
1 1 1   15    5   23 f   37.459   9.5300   12.502   8.1386 7.414925 19.05993 
1 1 1   15    5   24 o   46.818   9.8650   22.443   8.5066 6.458019 19.73004 
1 1 1   15    5   25 f  264.377   6.9694  664.085   31.428 32.43515 13.93871 
1 1 1   15    5   26 o   37.603   10.888   7.9176   9.5090 17.79555 21.77690 
1 1 1   15    5   27 o  144.982   6.9850  220.091   15.997 0.2017975 13.96999 
1 1 1   15    5   28 o  120.831   5.4312  143.421   12.497 13.15194 10.86241 
1 1 1   15    6    0 o  150.207   6.0720  227.320   18.065 0.000000 0.000000 
1 1 1   15    6    1 o  520.072   7.0402  2716.87   72.450 -0.4577637 14.08046 
1 1 1   15    6    2 o   96.543   5.4612   93.568   10.520 8.195007 10.92242 
1 1 1   15    6    3 o   69.086   4.7519   47.793   6.5492 -6.773148 9.503846 
1 1 1   15    6    4 o  114.537   5.1747  118.850   10.543 76.09755 10.34931 
1 1 1   15    6    5 o  267.431   3.6363  716.151   19.449 0.4402771 7.272620 
1 1 1   15    6    6 o  207.363   4.4637  430.798   18.511 2.554398 8.927349 
1 1 1   15    6    7 o  150.507   3.3006  227.435   9.8469 3.534683 6.601142 
1 1 1   15    6    8 o  274.394   3.7336  753.883   20.488 0.9229431 7.467294 
1 1 1   15    6    9 o  267.616   5.1698  716.300   27.624 -11.36310 10.33970 
1 1 1   15    6   10 o  191.808   4.5197  327.504   16.250 -64.57719 9.039359 
1 1 1   15    6   11 o  222.441   4.3941  485.094   18.848 17.67819 8.788156 
1 1 1   15    6   12 o  340.896   4.8824  1147.08   32.285 22.02817 9.764751 
1 1 1   15    6   13 o  203.833   5.2644  416.462   21.461      ?      ? 
1 1 1   15    6   14 o   51.597   9.6784   28.459   10.094 5.407738 19.35684 
1 1 1   15    6   15 o  180.765   3.5269  329.792   12.606 -8.355530 7.053847 
1 1 1   15    6   16 o  278.470   4.1717  780.274   22.938 -2.912415 8.343367 
1 1 1   15    6   17 o   67.920   6.1829   46.988   7.8169 -1.272972 12.36574 
1 1 1   15    6   18 o  161.003   3.9224  269.976   10.998 -12.46194 7.844751 
1 1 1   15    6   19 o  305.337   6.6707  967.816   32.610 -14.18503 13.34150 
1 1 1   15    6   20 o   65.499   5.6006   43.179   5.9436 0.6461182 11.20122 
1 1 1   15    6   21 o  114.843   4.2265  133.096   9.6684 4.234779 8.452908 
1 1 1   15    6   22 o   30.948   8.6815   5.2226   8.0265 8.172909 17.36307 
1 1 1   15    6   23 o  150.497   4.0590  229.946   12.203 9.952454 8.117981 
1 1 1   15    6   24 o   92.507   10.252   90.207   18.967      ?      ? 
1 1 1   15    6   25 o   60.338   14.290   30.171   9.9397 21.30906 28.58100 
1 1 1   15    6   26 o   49.879   9.7349   28.111   8.2409 -3.857265 19.46971 
1 1 1   15    6   27 o   92.889   6.4079  115.656   11.000 0.5567245 12.81581 
1 1 1   15    7    0 o  401.703   7.3122  1618.26   58.580 0.000000 0.000000 
1 1 1   15    7    1 o  501.328   6.8133  2523.21   67.538 2.015167 13.62652 
1 1 1   15    7    2 o  331.448   4.3507  1100.35   28.836 4.840088 8.701493 
1 1 1   15    7    3 o  124.226   3.5939  153.117   8.7778 -5.864555 7.187773 
1 1 1   15    7    4 o  135.770   3.1792  184.489   8.6322 2.427689 6.358488 
1 1 1   15    7    5 o  301.164   4.3450  908.597   25.884 -0.2398682E-01 8.689918 
1 1 1   15    7    6 o  348.115   6.4579  1214.56   44.906 -11.90814 12.91590 
1 1 1   15    7    7 o  251.092   3.8695  632.476   19.339 4.077194 7.739089 
1 1 1   15    7    8 o  189.279   4.2247  343.076   15.208 -26.06418 8.449317 
1 1 1   15    7    9 o  278.012   5.5304  775.951   30.745 -1.369415 11.06076 
1 1 1   15    7   10 o  281.329   4.1479  791.980   23.091 -3.454193 8.295853 
1 1 1   15    7   11 o  210.650   3.8005  444.922   16.008 -2.118317 7.600907 
1 1 1   15    7   12 o  103.280   5.4892  106.567   11.178 3.303947 10.97831 
1 1 1   15    7   13 o  212.194   3.3040  451.147   14.019 -4.949509 6.607938 
1 1 1   15    7   14 o  106.123   4.2578  111.628   8.9282 -8.811691 8.515516 
1 1 1   15    7   15 o  105.396   4.0572  112.071   8.4600 -3.379974 8.114320 
1 1 1   15    7   16 o  174.176   3.6529  304.870   12.716 0.7645264 7.305713 
1 1 1   15    7   17 o  115.509   4.6129  137.264   9.6469 -6.050446 9.225862 
1 1 1   15    7   18 o  234.351   4.5781  546.235   20.540 9.972900 9.156223 
1 1 1   15    7   19 o  113.968   3.7838  127.610   7.6490 5.899101 7.567645 
1 1 1   15    7   20 o   82.999   4.8318   72.857   6.6189 -6.934013 9.663669 
1 1 1   15    7   21 o   63.064   6.7267   31.170   7.2310 40.58588 13.45345 
1 1 1   15    7   22 o   98.417   5.0065   97.197   9.4856 6.204826 10.01308 
1 1 1   15    7   23 o   88.125   7.6204   94.598   10.822 -28.55935 15.24071 
1 1 1   15    7   24 o  435.782   16.758  2037.97  146.054      ?      ? 
1 1 1   15    7   25 o  127.033   4.1841  163.793   10.530 8.903778 8.368159 
1 1 1   15    7   26 o   58.034   8.6189   38.825   9.6992 -8.851925 17.23778 
1 1 1   15    7   27 o  200.691   6.7250  408.221   26.993      ?      ? 
1 1 1   15    8    0 o  183.257   6.2006  338.228   22.571 0.000000 0.000000 
1 1 1   15    8    2 o  126.079   3.7849  158.440   9.4841 5.178230 7.569739 
1 1 1   15    8    3 o  219.142   6.5413  481.452   28.669      ?      ? 
1 1 1   15    8    4 o  323.487   4.6432  1048.98   29.715 -0.4760742 9.286423 
1 1 1   15    8    5 o   70.301   7.8984   49.820   11.453 -76.80370 15.79689 
1 1 1   15    8    6 o  167.662   6.7942  281.961   22.782      ?      ? 
1 1 1   15    8    7 o   97.213   8.6383   94.993   16.795      ?      ? 
1 1 1   15    8    8 o  213.098   3.9446  454.853   16.786 3.125046 7.889157 
1 1 1   15    8    9 o  148.484   4.0419  222.103   11.426 -2.354187 8.083714 
1 1 1   15    8   10 f   99.979   8.7463  100.564   17.489      ?      ? 
1 1 1   15    8   11 o   76.777   5.5004   60.787   8.2315 -12.21001 11.00075 
1 1 1   15    8   12 o  249.359   4.3399  612.102   20.139 13.14201 8.679772 
1 1 1   15    8   13 o  197.331   4.3661  391.176   17.226 5.828125 8.732174 
1 1 1   15    8   14 o   89.776   4.6502   81.670   8.2566 -4.242332 9.300406 
1 1 1   15    8   15 o   60.123   6.5560   38.444   7.2922 -25.44371 13.11191 
1 1 1   15    8   16 f  254.892   3.6387  651.945   18.531 -9.569611 7.277445 
1 1 1   15    8   17 o   93.930   4.4208   88.303   8.1698 -3.922340 8.841689 
1 1 1   15    8   18 o   76.241   5.1306   57.806   7.5465 5.481476 10.26117 
1 1 1   15    8   19 o   42.610   8.7701   18.798   7.9064 10.48249 17.54017 
1 1 1   15    8   20 o  144.935   3.6560  209.834   10.085 4.952728 7.311924 
1 1 1   15    8   21 o   73.563   6.4721   54.989   7.5767 1.022240 12.94423 
1 1 1   15    8   22 o   31.997   8.4996   0.8250   6.0079 27.84859 16.99930 
1 1 1   15    8   23 o  111.462   7.8799  153.448   13.826 -63.95720 15.75980 
1 1 1   15    8   24 f   86.249   5.3934   77.389   9.1568 -1.132172 10.78683 
1 1 1   15    8   25 o  122.828   4.6636  155.611   11.441 8.933319 9.327173 
1 1 1   15    9    0 o  114.758   7.9364  145.966   15.835 0.000000 0.000000 
1 1 1   15    9    1 o   71.873   5.7179   52.302   8.1272 12.27236 11.43585 
1 1 1   15    9    2 o  250.196   3.9587  626.926   19.599 1.266556 7.917356 
1 1 1   15    9    3 o   93.031   4.6754   87.118   8.6634 -4.013664 9.350863 
1 1 1   15    9    4 f  123.125   4.1932  152.374   10.285 13.16093 8.386328 
1 1 1   15    9    5 o   86.158   4.8061   72.689   8.1376 22.43282 9.612193 
1 1 1   15    9    6 o  314.403   4.5564  986.186   28.175 9.580383 9.112812 
1 1 1   15    9    7 o  182.276   6.3421  333.303   23.120      ?      ? 
1 1 1   15    9    8 o  170.390   3.6217  290.957   12.340 4.229263 7.243345 
1 1 1   15    9    9 o   51.231   13.269   27.785   13.702      ?      ? 
1 1 1   15    9   10 o  128.331   4.0230  165.252   10.283 1.205063 8.046100 
1 1 1   15    9   11 o  159.621   4.1096  255.652   12.699 -0.5599670 8.219168 
1 1 1   15    9   12 o  153.758   3.5380  236.798   10.794 -2.851547 7.075938 
1 1 1   15    9   13 o   62.956   6.1532   40.257   7.6446 1.342903 12.30636 
1 1 1   15    9   14 o  174.292   3.1939  304.996   11.132 -2.500076 6.387875 
1 1 1   15    9   15 o   68.525   6.2677   46.837   8.4171 5.287987 12.53548 
1 1 1   15    9   16 o  140.747   3.5086  197.273   9.6835 -7.827835 7.017292 
1 1 1   15    9   17 o   61.552   5.6284   38.052   6.8730 -7.999176 11.25687 
1 1 1   15    9   18 o   96.886   3.8041   94.277   7.3202 -4.598366 7.608284 
1 1 1   15    9   19 o  102.222   3.9532  105.542   8.0583 -4.150589 7.906311 
1 1 1   15    9   20 o  111.909   3.5006  127.195   7.7916 -13.68851 7.001182 
1 1 1   15    9   21 o  133.879   4.7445  187.954   12.369 -25.79566 9.489097 
1 1 1   15    9   22 o   41.864   7.9195   20.966   8.3370 -25.71462 15.83907 
1 1 1   15    9   23 o   72.103   5.4645   48.928   5.6046 8.333397 10.92899 
1 1 1   15    9   24 o   49.247   8.7217   27.924   8.4276 -0.8651543 17.44337 
1 1 1   15   10    0 o  123.239   5.3723  153.811   13.115 0.000000 0.000000 
1 1 1   15   10    1 o  116.303   3.8731  135.442   9.0031 -4.973274 7.746117 
1 1 1   15   10    2 o  163.991   3.6859  270.406   11.909 3.005539 7.371845 
1 1 1   15   10    3 o  187.769   3.5764  352.524   13.269 3.139297 7.152781 
1 1 1   15   10    4 o  104.105   4.2842  107.956   8.8232 5.276260 8.568465 
1 1 1   15   10    5 o  163.483   3.4455  267.114   11.136 3.467148 6.891078 
1 1 1   15   10    6 o  149.931   3.5826  225.521   10.741 -0.1149445 7.165246 
1 1 1   15   10    7 o  128.664   3.3290  166.057   8.5581 7.514854 6.658031 
1 1 1   15   10    8 o  153.318   3.1632  235.697   9.6981 -0.4139709E-01 6.326401 
1 1 1   15   10    9 o   86.937   4.8789   76.360   8.2732 1.368500 9.757733 
1 1 1   15   10   10 o  100.858   4.6789  102.227   9.4228 7.571526 9.357733 
1 1 1   15   10   11 o  126.469   3.4193  160.565   8.6473 -3.025879 6.838686 
1 1 1   15   10   12 o  109.915   4.2593  120.536   9.2070 5.490417 8.518568 
1 1 1   15   10   13 f  107.292   5.1728  113.355   10.800 -10.86930 10.34555 
1 1 1   15   10   14 o   31.705   8.6271   7.4257   7.7349 -2.281355 17.25416 
1 1 1   15   10   15 o   96.044   4.0739   93.987   7.7034 5.604424 8.147805 
1 1 1   15   10   16 o  109.265   3.5464  120.631   7.7341 2.676682 7.092842 
1 1 1   15   10   17 o  107.540   3.9506  116.269   8.4637 8.088974 7.901102 
1 1 1   15   10   18 f   56.338   6.4825   33.407   7.0956 -8.892021 12.96499 
1 1 1   15   10   19 o   82.187   4.7582   65.025   7.3162 -13.39819 9.516368 
1 1 1   15   10   20 o  218.425   5.3270  479.990   23.271      ?      ? 
1 1 1   15   10   21 o   50.655   8.2412   23.845   7.4380 -32.60875 16.48245 
1 1 1   15   10   22 o  120.598   4.2855  149.635   9.7918 -1.873268 8.570978 
1 1 1   15   10   23 o   33.646   9.1451   10.629   8.5450 7.241734 18.29027 
1 1 1   15   10   24 o   44.399   16.240   18.357   18.822      ?      ? 
1 1 1   15   11    0 o   48.895   12.004   31.658   10.593 0.000000 0.000000 
1 1 1   15   11    1 o  133.658   3.7621  179.765   9.8582 -1.786133 7.524141 
1 1 1   15   11    2 o   56.759   7.1197   33.671   7.7304 -5.454662 14.23934 
1 1 1   15   11    3 o  118.492   3.5466  140.870   8.4021 0.8068848 7.093132 
1 1 1   15   11    4 o  115.673   3.5687  134.271   8.2526 4.730728 7.137453 
1 1 1   15   11    5 o  244.348   3.8680  597.760   18.604 -4.889664 7.735980 
1 1 1   15   11    6 o  108.358   4.6484  118.231   10.054 -1.315689 9.296831 
1 1 1   15   11    7 o  147.620   3.1600  218.713   9.3251 5.352661 6.319983 
1 1 1   15   11    8 o  191.665   3.4612  368.455   13.072 -1.194794 6.922381 
1 1 1   15   11    9 o   71.076   5.4830   51.250   7.6463 0.9739304 10.96600 
1 1 1   15   11   10 o   91.679   5.6452   89.518   9.5654 -41.19688 11.29032 
1 1 1   15   11   11 o  146.735   3.5148  217.462   10.246 5.735352 7.029514 
1 1 1   15   11   12 o  106.817   4.1180  116.353   8.6803 7.668388 8.235952 
1 1 1   15   11   13 o  117.293   3.7273  138.374   8.6772 -2.707825 7.454620 
1 1 1   15   11   14 o   76.121   5.4623   59.815   7.9654 -3.458122 10.92455 
1 1 1   15   11   15 o  158.688   4.3916  245.861   12.241 11.49261 8.783159 
1 1 1   15   11   16 o  170.901   3.2799  294.764   11.210 -2.662216 6.559699 
1 1 1   15   11   17 o   55.722   6.5989   33.185   7.1060 7.529114 13.19786 
1 1 1   15   11   18 o  102.846   4.6970  107.296   9.6420 -6.752861 9.393982 
1 1 1   15   11   20 o   35.495   8.7061   12.943   7.4220 -0.6902695 17.41227 
1 1 1   15   11   21 o   61.164   6.2020   39.186   7.5299 -6.028381 12.40399 
1 1 1   15   11   22 o   17.312   8.6066 -20.3106   11.602      ?      ? 
1 1 1   15   12    0 o   29.837   10.848   8.4534   10.354 0.000000 0.000000 
1 1 1   15   12    1 o  193.473   3.5490  375.158   13.559 -3.007690 7.097945 
1 1 1   15   12    2 o  110.073   3.7374  121.782   8.2195 6.873581 7.474817 
1 1 1   15   12    3 o   30.083   7.8419  -1.1329   8.4766 -21.18865 15.68383 
1 1 1   15   12    4 o   20.040   6.8322 -16.4590   7.9713 1.108946 13.66432 
1 1 1   15   12    5 o  185.197   3.9918  338.030   13.786 -9.666336 7.983505 
1 1 1   15   12    6 f   41.914   9.5080   17.524   8.6749 -2.605583 19.01607 
1 1 1   15   12    7 o   60.784   7.1019   41.702   7.7587 19.57331 14.20379 
1 1 1   15   12    8 o   41.787   8.0997   18.683   6.9564 -2.320213 16.19935 
1 1 1   15   12    9 o  101.354   3.8549  103.965   7.7808 10.09725 7.709743 
1 1 1   15   12   10 o  113.685   4.1323  130.882   8.9448 1.043159 8.264664 
1 1 1   15   12   11 o   54.591   7.4242   32.757   7.7007 11.94815 14.84843 
1 1 1   15   12   12 f   87.678   4.4246   78.093   7.7446 -5.426117 8.849176 
1 1 1   15   12   13 o  186.502   3.6688  352.363   13.366 -1.909927 7.337652 
1 1 1   15   12   14 o   83.241   5.1246   71.336   8.4642 5.118759 10.24923 
1 1 1   15   12   15 f   36.823   8.8138   14.131   7.8504 5.572704 17.62760 
1 1 1   15   12   16 o   19.750   6.8557 -25.1235   9.2572 -1.517134 13.71133 
1 1 1   15   12   17 o   69.540   8.7126   67.398   11.404 -59.51044 17.42514 
1 1 1   15   12   18 o  105.865   4.9045  118.864   10.042 -21.10944 9.809020 
1 1 1   15   12   19 o   75.763   5.9214   57.387   8.6604 -13.00602 11.84288 
1 1 1   15   12   20 o   41.586   9.6504   22.702   8.8473 0.8005142 19.30082 
1 1 1   15   13    0 o  112.711   5.3097  130.269   11.793 0.000000 0.000000 
1 1 1   15   13    1 o  123.324   3.5556  153.095   8.7657 4.714722 7.111169 
1 1 1   15   13    2 o  104.798   4.0050  110.012   8.3464 7.095581 8.010083 
1 1 1   15   13    3 o   65.057   6.4340   42.885   8.3021 -11.79967 12.86803 
1 1 1   15   13    4 o   28.285   8.0925  -0.1498   8.0626 12.97602 16.18493 
1 1 1   15   13    5 o   81.692   5.3494   65.383   8.3942 10.40995 10.69880 
1 1 1   15   13    6 o   62.111   7.3917   38.231   8.3904 8.733093 14.78333 
1 1 1   15   13    7 o   54.788   8.6867   31.237   9.3006 19.99475 17.37331 
1 1 1   15   13    8 o   69.839   6.1623   50.344   8.5591 7.478333 12.32463 
1 1 1   15   13    9 o   84.197   4.4795   71.579   7.5209 -6.688248 8.959010 
1 1 1   15   13   10 o   33.071   8.6923   9.1955   7.7580 -5.776310 17.38461 
1 1 1   15   13   11 o   76.826   5.5886   61.096   8.2089 2.557945 11.17716 
1 1 1   15   13   12 o  111.200   5.3357  126.896   11.831 -12.13721 10.67148 
1 1 1   15   13   13 o   64.961   8.7182   53.232   9.3499 21.02383 17.43644 
1 1 1   15   13   14 o  162.833   6.2378  267.155   20.315      ?      ? 
1 1 1   15   13   15 o   58.251   7.8931   37.727   8.7123 3.313057 15.78617 
1 1 1   15   13   16 o   74.555   6.2308   59.924   8.9465 12.09269 12.46157 
1 1 1   15   13   17 o   79.169   7.0774   66.774   10.074 1.208870 14.15489 
1 1 1   15   13   18 o   45.851   9.4153   27.406   9.2383 6.725296 18.83053 
1 1 1   15   13   19 o   58.210   10.482   39.346   11.787 -14.85623 20.96423 
1 1 1   15   14    0 o   22.948   10.135  -0.5588   10.521 0.000000 0.000000 
1 1 1   15   14    1 o   94.198   4.4012   89.781   8.2772 -7.292572 8.802407 
1 1 1   15   14    2 o   67.188   5.7779   45.695   7.6808 -13.83102 11.55572 
1 1 1   15   14    3 o   69.910   5.5622   50.405   7.7038 3.678368 11.12441 
1 1 1   15   14    4 o   80.843   5.0370   66.708   8.1211 -1.015846 10.07403 
1 1 1   15   14    5 o   30.047   8.5222   5.1121   7.9496 4.269527 17.04449 
1 1 1   15   14    6 o   65.685   6.9232   44.444   8.7845 15.43073 13.84643 
1 1 1   15   14    7 o   44.113   10.253   20.888   10.346 -3.952408 20.50615 
1 1 1   15   14    8 o   74.897   6.2056   57.537   8.8192 2.342163 12.41111 
1 1 1   15   14    9 o   53.021   9.0128   31.841   9.0290 0.7704735 18.02564 
1 1 1   15   14   12 o   24.000   7.8085  -6.8849   8.6151 -2.130548 15.61701 
1 1 1   15   14   13 f   43.970   9.2053   21.796   8.6643 1.353783 18.41067 
1 1 1   15   14   14 o   44.016   9.2950   22.326   8.8224 -4.029949 18.58996 
1 1 1   15   14   15 o   51.203   9.0810   30.622   9.2904 -0.8341331 18.16210 
1 1 1   15   14   17 o   37.178   9.9878   11.307   10.242 1.446983 19.97569 
1 1 1   15   15    0 o   19.928   9.4059  -2.1291   9.4926 0.000000 0.000000 
1 1 1   15   15    1 o   78.073   5.2770   62.983   8.0257 -1.885902 10.55391 
1 1 1   15   15    2 o   53.623   8.6170   28.688   8.4403 -18.22041 17.23392 
1 1 1   15   15    3 o   63.548   6.2501   42.052   7.9241 4.238384 12.50030 
1 1 1   15   15    4 o   29.607   8.4170   1.3591   9.0423 -11.55058 16.83407 
1 1 1   15   15    5 o  128.745   6.8866  167.417   17.732      ?      ? 
1 1 1   15   15    6 o  114.328   4.7259  131.018   10.713 -4.464523 9.451715 
1 1 1   15   15    7 o   41.118   9.2562   16.429   8.7094 12.77640 18.51232 
1 1 1   15   15    8 o   28.221   8.7902   3.8244   9.3793 -4.043665 17.58042 
1 1 1   15   15    9 o   27.952   8.3237   2.5380   7.9410 0.7917328 16.64745 
1 1 1   15   15   10 f   44.021   9.4380   22.485   9.0855 -5.532528 18.87595 
1 1 1   15   15   11 o   27.498   8.3336   1.7834   7.9551 -2.908495 16.66717 
1 1 1   15   15   12 o   33.856   9.5049   9.1217   9.7109 3.980726 19.00980 
1 1 1   15   15   13 o   19.900   7.0141   35.614   11.380 -1.249949 14.02814 
1 1 1   15   15   14 o   96.516   5.5606   92.954   10.518 -7.772675 11.12119 
1 1 1   15   16    0 o   18.652   9.2141  -9.6852   10.857 0.000000 0.000000 
1 1 1   15   16    1 o   67.337   7.9158   52.359   9.4022 -13.10893 15.83160 
1 1 1   15   16    2 o   55.455   8.1684   35.906   8.7414 -15.21980 16.33682 
1 1 1   15   16    3 o   38.819   8.5981   16.938   7.5406 -6.568832 17.19617 
1 1 1   15   16    4 o   34.826   8.7884   12.390   7.7262 1.342690 17.57673 
1 1 1   15   16    5 o   34.263   9.0094   11.255   8.2339 1.610996 18.01880 
1 1 1   15   16    6 o   30.371   8.6739   1.5582   9.2269 -15.10016 17.34789 
1 1 1   15   16    7 o   64.372   8.0300   45.547   9.9600 -19.69156 16.05991 
1 1 1   15   16    8 o   81.375   5.8508   72.121   9.4201 -10.07667 11.70163 
1 1 1   15   16    9 o   20.719   7.0138 -12.4337   8.1446 -3.704590 14.02758 
1 1 1   15   16   10 o   76.637   8.4362   67.287   11.501 -39.69542 16.87248 
1 1 1   15   16   11 o   24.126   7.7854   0.8827   8.4352 2.176207 15.57071 
1 1 1   15   17    0 o   26.894   12.241   2.3021   14.474 0.000000 0.000000 
1 1 1   15   17    1 o   89.467   5.5776   81.361   9.9541 7.418991 11.15513 
1 1 1   15   17    2 f   46.504   13.426   23.156   13.184      ?      ? 
1 1 1   15   17    3 o   54.409   8.3235   31.179   8.6834 -8.312725 16.64705 
1 1 1   15   17    4 o   32.640   9.1493   7.5104   9.0991 5.103909 18.29856 
1 1 1   16    0    0 o  398.320   10.136  1595.61   80.436 0.000000 0.000000 
1 1 1   16    0    1 o   64.915   6.8092   42.728   8.2000 0.000000 0.000000 
1 1 1   16    0    2 o  318.559   11.741  1023.18   74.583 0.000000 0.000000 
1 1 1   16    0    3 o  380.896   8.4400  1453.73   60.078 0.000000 0.000000 
1 1 1   16    0    4 o  316.911   7.0814  1015.46   42.562 0.000000 0.000000 
1 1 1   16    0    5 o  142.902   4.2576  204.175   10.665 0.000000 0.000000 
1 1 1   16    0    6 o  278.718   5.9912  781.181   29.057 0.000000 0.000000 
1 1 1   16    0    7 o  171.402   4.3765  301.072   13.446 0.000000 0.000000 
1 1 1   16    0    8 o  656.910   13.462  4352.23  152.343 0.000000 0.000000 
1 1 1   16    0    9 o   95.995   5.0752   94.241   8.6627 0.000000 0.000000 
1 1 1   16    0   10 o   91.058   5.4331   84.060   8.9480 0.000000 0.000000 
1 1 1   16    0   11 o   77.268   6.2207   60.875   8.7725 0.000000 0.000000 
1 1 1   16    0   12 o  368.491   8.2512  1358.07   57.034 0.000000 0.000000 
1 1 1   16    0   13 o   48.696   13.842   28.886   11.667 0.000000 0.000000 
1 1 1   16    0   14 o  140.957   6.7415  200.343   18.912 0.000000 0.000000 
1 1 1   16    0   15 o   82.594   8.7053   76.346   12.259 0.000000 0.000000 
1 1 1   16    0   16 o  221.746   6.7507  487.434   29.380 0.000000 0.000000 
1 1 1   16    0   17 o   92.866   7.3990   87.681   13.177 0.000000 0.000000 
1 1 1   16    0   18 o  136.761   5.7796  187.851   14.658 0.000000 0.000000 
1 1 1   16    0   19 o  120.896   7.4222  148.478   17.806 0.000000 0.000000 
1 1 1   16    0   20 o   33.374   11.937   17.177   10.538 0.000000 0.000000 
1 1 1   16    0   21 o  160.005   6.5852  258.348   20.996 0.000000 0.000000 
1 1 1   16    0   22 o  139.993   5.1765  190.168   12.644 0.000000 0.000000 
1 1 1   16    0   23 o   27.080   11.359   8.1213   9.4312 0.000000 0.000000 
1 1 1   16    0   24 o   80.553   7.0518   60.864   9.8455 0.000000 0.000000 
1 1 1   16    0   25 o   86.548   7.2974   63.626   10.620 0.000000 0.000000 
1 1 1   16    0   26 o   20.600   10.763 -48.7071   19.779 0.000000 0.000000 
1 1 1   16    0   27 o  120.406   8.8815  140.788   17.471 0.000000 0.000000 
1 1 1   16    0   28 o   58.740   9.4185   36.957   9.0634 0.000000 0.000000 
1 1 1   16    0   29 o  137.348   5.8247  179.255   14.980 0.000000 0.000000 
1 1 1   16    1    0 o  249.312   5.5241  623.065   27.515 0.000000 0.000000 
1 1 1   16    1    1 o  227.566   4.4773  519.136   20.378 0.5529785E-01 8.954697 
1 1 1   16    1    2 o  298.971   4.7645  899.006   27.021 3.178497 9.529041 
1 1 1   16    1    3 o  323.961   4.5044  1054.46   29.005 7.702972 9.008729 
1 1 1   16    1    4 o  175.201   2.9238  307.696   10.167 2.281113 5.847564 
1 1 1   16    1    5 o   63.884   4.1940   40.846   5.3250 -0.4727211 8.387959 
1 1 1   16    1    6 o  192.229   2.9247  370.780   10.949 2.246277 5.849440 
1 1 1   16    1    7 o  342.944   4.5135  1182.08   30.147 5.104797 9.027023 
1 1 1   16    1    8 o  157.770   2.7767  250.912   8.5901 6.251129 5.553496 
1 1 1   16    1    9 o  304.912   3.9922  929.547   24.317 10.31598 7.984491 
1 1 1   16    1   10 o  247.812   3.4125  614.588   16.909 4.111404 6.824932 
1 1 1   16    1   11 o  311.786   4.0826  973.401   25.452 4.378998 8.165248 
1 1 1   16    1   12 o  306.168   4.0612  938.853   24.868 0.9292603E-01 8.122303 
1 1 1   16    1   13 o  366.593   4.7389  1347.30   34.741 -3.503235 9.477835 
1 1 1   16    1   14 o  271.616   4.7894  736.987   25.471 -5.160187 9.578764 
1 1 1   16    1   15 o  400.911   6.6403  1604.76   51.669 -13.57877 13.28055 
1 1 1   16    1   16 o  319.968   6.1655  870.611   35.154 109.6500 12.33106 
1 1 1   16    1   17 o  325.449   5.0636  1071.26   30.225 -5.299438 10.12727 
1 1 1   16    1   18 o  204.423   4.2057  423.583   17.024 -16.80186 8.411482 
1 1 1   16    1   19 o  191.631   3.3298  369.954   12.504 -3.640793 6.659530 
1 1 1   16    1   20 o  183.763   3.3510  342.010   12.014 -7.638367 6.701910 
1 1 1   16    1   21 o  150.080   4.8358  221.061   14.313 27.82053 9.671679 
1 1 1   16    1   22 o  155.964   4.0236  244.390   12.551      ?      ? 
1 1 1   16    1   23 o  146.216   4.0434  212.957   10.035 3.407349 8.086821 
1 1 1   16    1   24 o  177.423   3.9071  316.878   13.864      ?      ? 
1 1 1   16    1   25 o   77.738   7.8273   68.236   10.573 -13.36436 15.65465 
1 1 1   16    1   26 o  210.998   8.6022  451.044   36.301      ?      ? 
1 1 1   16    1   27 o  116.979   4.3992  139.339   9.9340 1.503258 8.798389 
1 1 1   16    1   28 o   76.438   5.3693   61.026   8.0654 -0.9088135 10.73857 
1 1 1   16    1   29 o  142.555   6.8271  205.779   19.465      ?      ? 
1 1 1   16    2    0 o  263.354   5.7386  695.178   30.194 0.000000 0.000000 
1 1 1   16    2    1 o  190.972   3.6512  365.473   13.732 0.7551117 7.302333 
1 1 1   16    2    2 o  260.972   5.6826  679.757   25.678 -2.334412 11.36518 
1 1 1   16    2    3 o   88.149   3.9063   81.346   6.5514 16.82034 7.812623 
1 1 1   16    2    4 o  194.402   2.8838  378.111   11.206 1.716888 5.767536 
1 1 1   16    2    5 o  248.393   4.1571  609.216   19.045 8.877808 8.314105 
1 1 1   16    2    6 o  124.412   4.4559  154.925   11.087      ?      ? 
1 1 1   16    2    7 o  345.734   5.2813  1187.28   32.501 6.543884 10.56258 
1 1 1   16    2    8 o  362.584   5.5041  1315.78   35.898 1.199677 11.00830 
1 1 1   16    2    9 o  266.432   4.4334  709.766   22.124 1.409027 8.866818 
1 1 1   16    2   10 o  301.062   4.2939  906.941   25.516 2.207367 8.587853 
1 1 1   16    2   11 o  303.088   4.0194  920.069   24.365 0.1508179 8.038803 
1 1 1   16    2   12 o  271.761   4.3316  739.159   23.528 -7.406952 8.663198 
1 1 1   16    2   13 o  191.180   3.4376  366.590   13.035 -2.290100 6.875221 
1 1 1   16    2   14 o  389.552   5.3946  1527.34   41.770 -9.675201 10.78915 
1 1 1   16    2   15 o  155.090   3.5164  240.986   10.861 0.4086914 7.032901 
1 1 1   16    2   16 o  169.648   5.7622  288.602   19.551      ?      ? 
1 1 1   16    2   17 o  331.504   6.7491  1133.31   34.432 -12.87534 13.49816 
1 1 1   16    2   18 o  107.518   5.1769  115.553   10.947 4.231468 10.35384 
1 1 1   16    2   19 o  126.955   4.4490  159.051   10.526 6.620834 8.897955 
1 1 1   16    2   20 o  298.569   4.3944  897.966   26.002 1.276550 8.788891 
1 1 1   16    2   21 o   54.905   7.6435   32.940   8.4935 -38.63961 15.28709 
1 1 1   16    2   22 o   92.135   4.4207   87.256   7.9988 -17.80906 8.841311 
1 1 1   16    2   23 o  165.046   3.2025  270.606   10.109 7.342041 6.405035 
1 1 1   16    2   24 o   97.588   3.7173   95.360   7.1521 5.745216 7.434533 
1 1 1   16    2   25 o   86.240   4.4208   78.216   7.3758 -11.57770 8.841587 
1 1 1   16    2   26 o  155.364   5.8487  213.405   16.622 49.07573 11.69743 
1 1 1   16    2   27 o  109.532   3.6649  115.141   7.6240 19.40287 7.329774 
1 1 1   16    2   28 o   46.289   6.2185   23.761   5.4336 -6.405602 12.43709 
1 1 1   16    2   29 o  140.243   3.9177  200.634   10.859 -3.659225 7.835388 
1 1 1   16    3    0 o  132.946   4.9923  172.429   11.813 0.000000 0.000000 
1 1 1   16    3    1 o  123.735   4.0708  139.776   9.5540 53.50656 8.141698 
1 1 1   16    3    2 o  308.719   4.3329  955.085   26.479 -0.7343445 8.665831 
1 1 1   16    3    3 o  214.630   3.3464  452.022   13.952 17.01517 6.692880 
1 1 1   16    3    4 o  152.555   2.9430  232.094   8.8393 2.991714 5.886028 
1 1 1   16    3    5 o  116.792   3.7656  121.865   8.2555 37.80726 7.531287 
1 1 1   16    3    6 o  281.723   4.0401  794.065   22.472 1.608734 8.080296 
1 1 1   16    3    7 f  274.108   3.9553  751.141   21.396 2.836731 7.910606 
1 1 1   16    3    8 o  236.014   4.7197  546.651   21.997 30.50050 9.439383 
1 1 1   16    3    9 o  186.556   3.0707  348.220   11.021 0.2323303 6.141306 
1 1 1   16    3   10 o  383.970   5.0691  1474.64   37.520 3.080811 10.13811 
1 1 1   16    3   11 o  204.599   3.7308  418.547   15.251 6.365814 7.461534 
1 1 1   16    3   12 o  184.626   4.6976  222.563   13.855 123.9848 9.395260 
1 1 1   16    3   13 o  416.583   7.0664  1543.08   50.681 93.27823 14.13286 
1 1 1   16    3   14 f  350.891   4.9803  1229.40   34.245 8.930695 9.960567 
1 1 1   16    3   15 o  159.394   4.8173  251.674   15.247 17.98543 9.634581 
1 1 1   16    3   16 o  369.364   5.9402  1384.06   41.560 -9.069153 11.88038 
1 1 1   16    3   17 o  107.566   4.6095  114.847   8.2337 2.192688 9.219075 
1 1 1   16    3   18 o  180.068   6.2140  326.149   22.379      ?      ? 
1 1 1   16    3   19 o  186.327   4.0349  358.152   14.163 -15.96722 8.069797 
1 1 1   16    3   20 o  149.591   6.7215  225.549   20.110      ?      ? 
1 1 1   16    3   21 o  125.690   4.0360  154.994   8.0940 5.246735 8.072074 
1 1 1   16    3   22 o   56.848   7.1810   32.887   8.1645      ?      ? 
1 1 1   16    3   23 o   53.833   7.9242   33.998   5.9932 -10.57368 15.84837 
1 1 1   16    3   24 o  128.470   4.3838  167.727   9.8265 -0.7096863 8.767610 
1 1 1   16    3   25 o   46.757   10.012   19.273   9.4107 23.77570 20.02407 
1 1 1   16    3   26 o   30.879   9.3363   3.0519   10.518 -4.904016 18.67255 
1 1 1   16    3   27 o   88.841   6.4910   78.001   9.7670 9.066620 12.98203 
1 1 1   16    4    0 o  588.666   12.798  3514.52  142.571 0.000000 0.000000 
1 1 1   16    4    1 o  153.216   4.1017  234.742   12.537 -3.255325 8.203339 
1 1 1   16    4    2 o  406.219   5.1470  1654.09   41.816 -0.6813965 10.29395 
1 1 1   16    4    3 o  314.996   4.4418  991.830   27.606 3.979065 8.883615 
1 1 1   16    4    4 o  189.103   4.2743  357.168   16.141 -9.806717 8.548580 
1 1 1   16    4    5 o  600.203   7.4870  3620.81   89.870 -3.645752 14.97392 
1 1 1   16    4    6 o  211.625   6.2743  448.707   26.556      ?      ? 
1 1 1   16    4    7 o  104.040   3.3057  105.982   6.6313 8.225609 6.611388 
1 1 1   16    4    8 o  148.730   3.9545  175.424   10.358 70.56753 7.909088 
1 1 1   16    4    9 o  174.608   4.0229  241.641   12.066 73.51541 8.045815 
1 1 1   16    4   10 o  342.240   5.9557  1000.50   34.209 92.76791 11.91150 
1 1 1   16    4   12 o  234.515   6.9851  551.733   32.762      ?      ? 
1 1 1   16    4   13 o  122.868   3.7628  148.948   8.9849 7.651550 7.525547 
1 1 1   16    4   14 o  147.640   5.3040  218.508   15.662      ?      ? 
1 1 1   16    4   15 o  324.102   5.0242  1055.09   32.565 -3.183319 10.04834 
1 1 1   16    4   16 o  155.222   3.3937  236.954   10.010 9.244736 6.787379 
1 1 1   16    4   17 o  142.253   4.0512  199.557   10.475 5.895355 8.102495 
1 1 1   16    4   18 o  272.641   4.6835  760.274   24.291 -14.43762 9.366943 
1 1 1   16    4   19 o  139.879   6.4882  197.376   18.151      ?      ? 
1 1 1   16    4   20 o   47.557   8.7425   22.851   7.3032 3.808231 17.48491 
1 1 1   16    4   21 o  108.417   4.2811  116.391   7.0982 2.695488 8.562123 
1 1 1   16    4   22 o   99.275   4.0363   99.133   8.0140      ?      ? 
1 1 1   16    4   23 o   88.244   3.8964   78.381   6.8766      ?      ? 
1 1 1   16    4   24 o   58.639   9.9078   35.788   8.6264 1.264088 19.81557 
1 1 1   16    4   26 o   95.165   5.4088   92.256   10.295      ?      ? 
1 1 1   16    4   27 o   68.250   12.799   38.638   8.9007 19.34715 25.59722 
1 1 1   16    4   28 o  145.126   6.3137  212.852   18.326      ?      ? 
1 1 1   16    5    0 o  557.911   12.161  3147.29  127.923 0.000000 0.000000 
1 1 1   16    5    1 o  359.003   5.0270  1287.95   35.581 -6.242981 10.05408 
1 1 1   16    5    2 o  413.023   5.2417  1710.33   43.299 0.2368164 10.48332 
1 1 1   16    5    3 o  226.914   4.6836  515.281   21.238 -7.575562 9.367178 
1 1 1   16    5    4 o  294.447   4.2453  868.700   24.742 -0.4411011 8.490676 
1 1 1   16    5    5 o  404.927   6.6314  1655.58   53.113 -15.97324 13.26275 
1 1 1   16    5    6 o  341.216   4.4184  1166.45   30.150 2.556000 8.836857 
1 1 1   16    5    7 o  358.986   4.6293  1291.41   33.235 1.133240 9.258551 
1 1 1   16    5    8 o  196.911   3.3966  387.687   13.210 1.503265 6.793222 
1 1 1   16    5    9 o  213.756   4.5617  457.613   19.493 -3.697632 9.123330 
1 1 1   16    5   10 o  139.993   4.6744  196.240   13.079 5.526047 9.348795 
1 1 1   16    5   11 o  255.240   5.3721  453.364   22.008 -142.3333 10.74419 
1 1 1   16    5   12 o  268.208   4.0323  721.814   21.368 -1.828705 8.064509 
1 1 1   16    5   13 o  187.315   4.0436  326.473   13.382 28.01398 8.087272 
1 1 1   16    5   14 o  104.497   5.8869  109.525   12.303      ?      ? 
1 1 1   16    5   15 o   53.847   8.0176   30.075   8.3223 7.821751 16.03512 
1 1 1   16    5   16 o  117.418   4.2811  137.176   9.1345 2.545036 8.562163 
1 1 1   16    5   17 o   75.856   6.2024   58.397   8.3511 -0.7050247 12.40479 
1 1 1   16    5   18 o  156.716   4.3213  213.752   12.108 46.89850 8.642668 
1 1 1   16    5   19 o  120.782   5.3369  146.617   12.892      ?      ? 
1 1 1   16    5   20 o   77.518   4.7606   57.272   6.5835 9.677345 9.521122 
1 1 1   16    5   21 o   63.208   5.3365   32.733   5.9001 26.54231 10.67307 
1 1 1   16    5   22 o  131.229   4.3708  171.548   10.156 4.332794 8.741602 
1 1 1   16    5   23 o  135.073   4.8855  180.027   12.716 16.33089 9.771019 
1 1 1   16    5   24 o  105.382   6.8158  114.403   14.130 14.65633 13.63157 
1 1 1   16    5   25 o   60.685   13.768   12.366   11.070 59.99226 27.53540 
1 1 1   16    5   26 o   97.362   11.134   80.427   9.7710 21.91003 22.26809 
1 1 1   16    5   27 o   85.229   6.8254   81.760   9.0730 -0.9181595 13.65081 
1 1 1   16    6    0 o  639.360   11.325  4115.44  144.433 0.000000 0.000000 
1 1 1   16    6    1 o  350.052   4.5385  1227.90   31.774 0.5738220 9.077024 
1 1 1   16    6    2 o  214.721   4.7474  397.667   18.761 -80.25897 9.494843 
1 1 1   16    6    3 o  332.971   6.2040  1016.59   38.668 -80.07498 12.40798 
1 1 1   16    6    4 o  286.353   4.4709  819.589   25.560 -11.34210 8.941878 
1 1 1   16    6    5 o  248.044   5.1221  507.837   22.422 95.29329 10.24421 
1 1 1   16    6    6 o  403.376   5.1592  1631.22   41.622 -0.4977722 10.31850 
1 1 1   16    6    7 o  376.891   9.7047  1427.18   73.152      ?      ? 
1 1 1   16    6    8 f  194.449   3.5326  377.070   13.493 4.219986 7.065209 
1 1 1   16    6    9 o  318.716   5.9896  990.086   37.369 -44.67218 11.97930 
1 1 1   16    6   10 f  147.202   4.3794  219.719   12.633 9.404251 8.758718 
1 1 1   16    6   11 f   83.137   5.2899   69.273   8.7532 11.38313 10.57982 
1 1 1   16    6   12 o  236.526   3.7549  556.032   17.507 -11.15930 7.509827 
1 1 1   16    6   13 o  279.219   4.1773  783.411   23.050 -2.855591 8.354581 
1 1 1   16    6   14 o  142.548   3.5394  209.008   9.4904 -11.51915 7.078869 
1 1 1   16    6   15 o   79.889   6.4900   64.185   10.370      ?      ? 
1 1 1   16    6   16 o  152.824   4.0383  233.709   11.458 1.736298 8.076537 
1 1 1   16    6   17 o   69.956   6.0069   52.633   7.4973 -11.02427 12.01379 
1 1 1   16    6   18 o  230.012   5.0272  526.954   22.977 -27.63226 10.05430 
1 1 1   16    6   19 o   26.628   7.9475  -1.7073   6.7059 14.48191 15.89507 
1 1 1   16    6   20 f   43.448   8.1134   18.645   6.5049 8.464260 16.22682 
1 1 1   16    6   21 f   66.560   5.4261   42.125   6.0593 7.774872 10.85221 
1 1 1   16    6   22 o   98.621   4.8986   99.795   9.6112 -8.652245 9.797138 
1 1 1   16    6   23 o   97.412   4.7040   97.217   9.0608 2.484985 9.408012 
1 1 1   16    6   24 o  368.996   9.7211  1384.69   71.741      ?      ? 
1 1 1   16    6   25 o   61.903   9.6765   38.107   8.3303 5.476593 19.35291 
1 1 1   16    6   26 f   74.577   7.6462   61.609   8.3095 -6.103004 15.29231 
1 1 1   16    7    0 o   91.432   10.511   89.174   17.776 0.000000 0.000000 
1 1 1   16    7    1 o   66.308   7.9127   52.160   11.429 69.83797 15.82538 
1 1 1   16    7    2 o  386.176   5.7580  1496.03   44.471 1.265625 11.51591 
1 1 1   16    7    3 o  270.878   4.0777  735.041   21.870 -0.2682495 8.155496 
1 1 1   16    7    4 o  263.669   4.8160  694.877   24.775 -3.392090 9.631942 
1 1 1   16    7    5 o  286.982   4.2506  826.831   24.184 4.068268 8.501139 
1 1 1   16    7    6 o  291.731   4.3104  851.734   24.857 -2.938263 8.620880 
1 1 1   16    7    7 o  237.613   7.1694  566.509   34.071      ?      ? 
1 1 1   16    7    8 o  206.769   3.8675  426.697   15.960 -13.35698 7.735001 
1 1 1   16    7    9 o  216.800   4.2976  455.159   16.843 16.91269 8.595231 
1 1 1   16    7   10 o  224.410   3.7275  508.214   16.611 -17.90820 7.454959 
1 1 1   16    7   11 o  170.538   3.5411  290.677   12.015 -4.187851 7.082234 
1 1 1   16    7   12 o  115.272   7.0348  133.630   16.218      ?      ? 
1 1 1   16    7   13 o  251.538   5.0361  636.887   25.330 3.358032 10.07215 
1 1 1   16    7   14 o  166.452   3.3604  279.075   11.103 -6.253113 6.720813 
1 1 1   16    7   15 o   74.418   4.8594   55.725   7.2199 6.187737 9.718804 
1 1 1   16    7   16 o  131.391   3.8074  174.862   9.7500 -4.623154 7.614812 
1 1 1   16    7   17 f  186.238   4.8037  349.627   17.888 1.173843 9.607340 
1 1 1   16    7   18 o  145.898   3.5924  210.916   9.6586 5.870956 7.184818 
1 1 1   16    7   19 o   70.187   6.4647   45.805   8.4874 18.58538 12.92945 
1 1 1   16    7   20 o   78.668   8.6944   72.460   11.085 -19.11436 17.38885 
1 1 1   16    7   21 o   75.937   5.6466   62.489   6.7212 -8.272636 11.29322 
1 1 1   16    7   22 o   29.130   8.6526   1.2390   5.1032 20.91447 17.30513 
1 1 1   16    7   23 o   82.877   12.182   70.559   20.192      ?      ? 
1 1 1   16    7   24 o   79.700   6.1754   66.775   9.8320 4.514343 12.35083 
1 1 1   16    7   25 o   78.701   6.1242   65.521   9.6164 -7.184616 12.24831 
1 1 1   16    8    0 o   45.274   15.024   30.596   15.462 0.000000 0.000000 
1 1 1   16    8    1 o  282.626   5.5307  793.078   31.012 -23.71078 11.06133 
1 1 1   16    8    2 o  234.682   5.5601  325.772   19.673 171.9562 11.12028 
1 1 1   16    8    3 o  258.127   6.1125  667.945   31.556      ?      ? 
1 1 1   16    8    4 o  250.656   3.9065  630.730   19.441 -3.982193 7.812901 
1 1 1   16    8    5 o  163.060   3.7665  266.431   12.283 -2.100891 7.533058 
1 1 1   16    8    6 o  139.462   3.9533  194.971   11.014 -0.3400879 7.906603 
1 1 1   16    8    7 o  241.170   5.6345  569.858   23.343 11.36137 11.26906 
1 1 1   16    8    8 o  307.443   8.3425  950.462   51.297      ?      ? 
1 1 1   16    8    9 o  170.764   5.6662  300.534   18.753 -46.45622 11.33230 
1 1 1   16    8   10 o  191.277   3.8999  370.570   14.320 -6.766556 7.799881 
1 1 1   16    8   11 o  179.585   4.2913  284.992   14.059 -52.37549 8.582614 
1 1 1   16    8   12 o  161.821   3.4820  262.733   11.169 -0.1253204 6.963923 
1 1 1   16    8   13 o  123.467   3.5030  152.924   8.6455 5.175919 7.005953 
1 1 1   16    8   14 o  171.772   3.1858  296.039   10.944 -0.6305542 6.371564 
1 1 1   16    8   15 o   50.476   8.4508   27.405   8.2781 -2.773869 16.90152 
1 1 1   16    8   16 o  151.802   3.5433  230.817   10.652 -3.804062 7.086585 
1 1 1   16    8   17 o  166.302   3.3708  279.150   11.161 5.455872 6.741505 
1 1 1   16    8   18 o   46.380   8.2854   27.496   8.2013 23.80615 16.57089 
1 1 1   16    8   19 o  114.187   4.1170  129.910   9.2433 9.441780 8.233903 
1 1 1   16    8   20 o   88.274   6.0934   82.824   9.5950 -7.492142 12.18676 
1 1 1   16    8   21 o   88.163   5.4196   70.761   8.7436 25.77652 10.83921 
1 1 1   16    8   22 f  158.035   4.4532  138.201   10.174 121.7942 8.906461 
1 1 1   16    8   23 o   70.300   7.4095   59.186   9.1111 -30.66198 14.81908 
1 1 1   16    8   24 o   50.445   8.3333   30.137   8.2646 -13.09071 16.66668 
1 1 1   16    8   25 o   34.718   9.4780   19.678   9.2968 -0.3644791 18.95603 
1 1 1   16    9    0 o  235.363   7.0107  557.074   32.785 0.000000 0.000000 
1 1 1   16    9    1 o  100.351   4.9655  101.074   9.9612 4.297752 9.931019 
1 1 1   16    9    2 f   57.679   9.3676   35.181   10.597 4.403175 18.73519 
1 1 1   16    9    3 o  209.569   4.8737  440.048   20.428      ?      ? 
1 1 1   16    9    4 o  178.090   6.2711  318.147   22.336      ?      ? 
1 1 1   16    9    5 o  127.479   5.0249  158.117   12.464 -41.91288 10.04988 
1 1 1   16    9    6 o  100.617   6.4508  106.559   12.415 -24.93758 12.90168 
1 1 1   16    9    7 o   55.854   7.1922   32.502   7.7702 6.562885 14.38443 
1 1 1   16    9    8 o  171.730   4.5372  266.598   14.614 -50.20808 9.074443 
1 1 1   16    9    9 o  128.714   4.2225  167.575   10.610 4.220833 8.444921 
1 1 1   16    9   10 o   83.657   5.5522   70.558   9.2855 1.225853 11.10441 
1 1 1   16    9   11 o  165.168   3.5868  272.241   11.566 4.719391 7.173697 
1 1 1   16    9   12 o  114.067   4.8273  131.326   10.990 3.927719 9.654539 
1 1 1   16    9   13 o  126.705   4.4764  165.111   11.051 13.90364 8.952830 
1 1 1   16    9   14 o  208.313   3.8374  436.297   15.987 -1.130188 7.674798 
1 1 1   16    9   15 o  101.314   4.9532  105.113   9.9421 12.67365 9.906385 
1 1 1   16    9   16 o   87.726   4.4486   78.675   7.6635 5.370880 8.897162 
1 1 1   16    9   17 o  168.942   4.2094  257.340   13.298 -53.35164 8.418821 
1 1 1   16    9   18 o   79.556   4.5889   64.792   7.2519 -8.613907 9.177755 
1 1 1   16    9   19 o  129.760   3.4157  171.000   8.8197 -8.504707 6.831474 
1 1 1   16    9   20 o  122.146   3.5455  150.528   8.5290 -6.204597 7.091075 
1 1 1   16    9   21 o  144.009   8.3075  209.959   23.927      ?      ? 
1 1 1   16    9   22 o   37.950   8.6852   14.960   6.9883 3.714844 17.37035 
1 1 1   16    9   23 o  103.904   4.1133   99.480   6.9473 16.94860 8.226529 
1 1 1   16    9   24 o   32.635   9.8165   4.3762   10.803 14.94589 19.63297 
1 1 1   16   10    0 o   41.162   12.515   24.657   11.245 0.000000 0.000000 
1 1 1   16   10    1 o  123.497   4.0038  154.036   9.6862 3.987053 8.007582 
1 1 1   16   10    2 o  239.601   3.5409  575.883   16.968 1.249100 7.081756 
1 1 1   16   10    3 o  103.794   4.3955  109.332   8.9893 -6.947998 8.791070 
1 1 1   16   10    4 o  126.776   4.5449  161.572   11.519 -4.776451 9.089727 
1 1 1   16   10    5 o  207.342   3.5741  432.546   14.673 4.162018 7.148106 
1 1 1   16   10    6 o  182.721   3.1954  334.687   11.674 -2.386673 6.390860 
1 1 1   16   10    7 o  133.464   4.3519  158.944   10.681 -37.84924 8.703856 
1 1 1   16   10    8 o   82.179   4.6919   67.937   7.6841 -1.585480 9.383792 
1 1 1   16   10    9 o  255.059   4.6470  658.704   23.445 10.13164 9.294004 
1 1 1   16   10   10 o  146.740   3.5678  215.722   10.323 -2.329453 7.135553 
1 1 1   16   10   11 o  134.772   4.2651  170.934   10.434 -20.11147 8.530139 
1 1 1   16   10   12 o   51.062   7.5221   27.573   7.4150 -0.7100334 15.04423 
1 1 1   16   10   13 o   78.168   5.4493   61.238   8.4353 8.552719 10.89855 
1 1 1   16   10   14 o  139.897   3.4955  196.327   9.6385 -3.260727 6.991025 
1 1 1   16   10   15 o   80.005   5.1270   66.801   7.8965 8.820305 10.25405 
1 1 1   16   10   16 o  124.955   3.7487  158.767   9.2703 -6.156158 7.497341 
1 1 1   16   10   17 o   93.810   4.8031   85.399   8.6926 -34.96179 9.606242 
1 1 1   16   10   18 o  112.104   3.6234  127.202   8.0713 -1.302307 7.246793 
1 1 1   16   10   19 o   57.318   8.8003   35.963   10.314 29.46870 17.60062 
1 1 1   16   10   20 o   69.874   5.7041   51.577   7.7513 8.572083 11.40813 
1 1 1   16   10   21 o   52.770   7.0875   29.189   7.0180 -11.03608 14.17502 
1 1 1   16   10   22 o   28.873   8.0430   5.5519   6.9490 -7.566660 16.08591 
1 1 1   16   10   23 o   33.785   10.247  -0.4111   12.017 10.24216 20.49305 
1 1 1   16   11    0 o  133.091   4.9065  179.305   12.982 0.000000 0.000000 
1 1 1   16   11    1 o  101.488   5.9388   92.316   11.283 47.85820 11.87752 
1 1 1   16   11    2 o  153.129   3.6366  235.075   10.922 1.568939 7.273290 
1 1 1   16   11    3 o   65.525   5.7245   43.558   7.4578 -8.700508 11.44897 
1 1 1   16   11    4 o   87.188   4.7862   76.802   8.2457 -1.526688 9.572313 
1 1 1   16   11    5 o  150.600   4.2987  226.708   12.901 17.12628 8.597448 
1 1 1   16   11    6 o   93.071   4.1562   87.264   7.6971 12.09225 8.312409 
1 1 1   16   11    7 o   82.882   4.7886   68.829   7.8576 -4.106377 9.577277 
1 1 1   16   11    8 o  162.474   4.0763  268.132   12.944 8.367142 8.152621 
1 1 1   16   11    9 o  138.246   3.6568  194.475   9.9282 10.51073 7.313608 
1 1 1   16   11   10 o   85.670   4.8299   73.163   8.1698 8.457962 9.659890 
1 1 1   16   11   11 o  203.572   3.3384  415.470   13.557 10.61130 6.676717 
1 1 1   16   11   12 o   96.511   4.3715   95.658   8.3155 13.03906 8.743049 
1 1 1   16   11   13 o  131.969   4.0415  175.518   10.630 5.823944 8.082914 
1 1 1   16   11   14 o  114.211   4.3131  132.473   9.8400 -3.503128 8.626129 
1 1 1   16   11   15 o   82.191   5.5253   70.522   8.7066 -6.045700 11.05065 
1 1 1   16   11   16 o  101.117   4.6188  103.149   9.0954 5.025558 9.237569 
1 1 1   16   11   17 o   33.600   8.9086   7.7047   8.2506 -14.09329 17.81722 
1 1 1   16   11   18 o  119.921   6.4490  145.607   15.069 36.76706 12.89796 
1 1 1   16   11   19 o   44.253   8.4812   22.666   7.8928 11.10942 16.96243 
1 1 1   16   11   20 o   72.337   6.0916   54.219   8.4868 -3.273720 12.18328 
1 1 1   16   11   21 o   34.807   9.1830   15.913   8.1356 -6.513655 18.36595 
1 1 1   16   11   22 o   76.240   7.6376   59.213   11.646      ?      ? 
1 1 1   16   12    0 o  146.195   4.7706  215.944   13.881 0.000000 0.000000 
1 1 1   16   12    1 o   50.689   7.6137   27.348   8.3982 37.68877 15.22736 
1 1 1   16   12    2 o  152.865   4.5121  216.704   12.971 -34.62872 9.024186 
1 1 1   16   12    3 o  333.245   4.7902  1121.22   31.852 -28.08197 9.580425 
1 1 1   16   12    4 o  142.118   5.3097  204.532   15.072 -1.739136 10.61938 
1 1 1   16   12    5 o  102.221   5.1952   95.054   9.5892 23.66957 10.39043 
1 1 1   16   12    6 o   80.344   5.0817   66.681   7.9182 6.622597 10.16349 
1 1 1   16   12    7 o  172.316   3.1872  298.721   10.982 3.515564 6.374370 
1 1 1   16   12    8 o   40.009   8.4972   17.056   7.3119 2.427990 16.99446 
1 1 1   16   12    9 o   50.465   8.0403   27.642   7.8936 1.579758 16.08057 
1 1 1   16   12   10 f   94.303   4.4176   91.361   8.1533 7.215485 8.835229 
1 1 1   16   12   11 o  108.588   4.3712  119.653   9.2552 -0.5371246 8.742363 
1 1 1   16   12   12 o  143.215   6.2180  221.690   12.987 -13.27553 12.43608 
1 1 1   16   12   13 o   42.848   8.3122   20.344   7.5716 -11.91124 16.62438 
1 1 1   16   12   14 o  129.591   3.6933  167.725   9.4514 12.21631 7.386502 
1 1 1   16   12   15 o   91.019   6.4648   89.633   11.071 16.77494 12.92967 
1 1 1   16   12   16 o  112.324   9.0985  128.255   20.440      ?      ? 
1 1 1   16   12   17 o   41.738   9.8517   19.022   10.326 14.58041 19.70333 
1 1 1   16   12   18 o   51.612   9.1067   33.214   11.439 34.33830 18.21331 
1 1 1   16   12   19 o   36.857   9.2702   12.149   8.5641 -14.76390 18.54042 
1 1 1   16   12   20 o   85.512   6.0805   72.835   9.7952 -5.246513 12.16093 
1 1 1   16   13    0 o   27.760   11.698   6.2765   10.968 0.000000 0.000000 
1 1 1   16   13    1 f  129.886   3.8223  170.383   9.9271 -3.119156 7.644669 
1 1 1   16   13    2 o   73.529   6.2931   56.322   9.1023 13.14976 12.58619 
1 1 1   16   13    3 o   54.554   7.0330   31.727   7.3883 6.484978 14.06603 
1 1 1   16   13    4 o  117.881   4.2819  138.281   9.5202 -5.757240 8.563787 
1 1 1   16   13    5 o  136.645   4.0801  192.652   10.522 9.162888 8.160209 
1 1 1   16   13    6 o   61.523   7.4970   41.220   8.1541 6.942284 14.99393 
1 1 1   16   13    7 o   74.618   6.7373   59.186   9.7417 12.70506 13.47452 
1 1 1   16   13    8 o   95.530   4.9035   92.115   9.3180 11.21721 9.806925 
1 1 1   16   13    9 o  111.219   4.6687  124.551   10.166 -5.904640 9.337299 
1 1 1   16   13   10 o   78.316   5.2851   61.105   8.0868 -10.24645 10.57025 
1 1 1   16   13   11 o   70.841   5.8603   53.131   7.9021 6.249771 11.72070 
1 1 1   16   13   12 o   22.725   7.3639  -6.1472   7.6008 0.9292965 14.72782 
1 1 1   16   13   13 o   97.059   5.9520   93.562   11.389 -10.71033 11.90402 
1 1 1   16   13   14 o   88.964   6.1924   77.947   9.9678 -54.70027 12.38480 
1 1 1   16   13   15 o   82.827   5.2872   70.806   8.7503 2.963966 10.57437 
1 1 1   16   13   16 o   85.336   5.6218   74.384   9.3481 7.585892 11.24351 
1 1 1   16   13   17 o   41.780   9.6517   20.211   9.2624 5.441032 19.30331 
1 1 1   16   13   18 o   87.982   6.0522   79.025   10.642 -2.833626 12.10442 
1 1 1   16   14    0 o   83.290   6.3811   72.619   10.381 0.000000 0.000000 
1 1 1   16   14    1 o   42.188   7.9214   19.280   6.8287 -6.638763 15.84287 
1 1 1   16   14    2 o   76.854   4.7000   60.168   7.2120 -0.7931061 9.400023 
1 1 1   16   14    3 o   38.174   8.0534   15.720   6.7248 6.835052 16.10687 
1 1 1   16   14    4 o   43.556   8.4485   20.448   7.6329 -9.854988 16.89709 
1 1 1   16   14    5 o   32.941   8.4187   9.9094   7.0836 4.759594 16.83744 
1 1 1   16   14    6 o   34.290   8.9020   10.679   7.6859 3.904247 17.80399 
1 1 1   16   14    7 f   54.650   8.2643   33.701   8.7625 -4.788307 16.52853 
1 1 1   16   14    8 o   72.865   6.9379   57.629   9.3199 29.78613 13.87571 
1 1 1   16   14    9 o   29.984   8.9784   0.8501   9.2816 -4.696865 17.95675 
1 1 1   16   14   10 o   94.906   6.4640   92.336   11.543 -2.934525 12.92798 
1 1 1   16   14   11 o  101.195   5.2294  112.484   10.534 -10.41328 10.45875 
1 1 1   16   14   12 o   49.690   9.0121   28.061   8.7593 1.588196 18.02415 
1 1 1   16   14   13 o   42.601   9.0775   20.844   8.3423 2.462528 18.15495 
1 1 1   16   14   14 o   77.394   6.5482   66.449   9.4923 13.33470 13.09645 
1 1 1   16   14   16 o   57.166   12.825   35.856   16.391 2.420460 25.64906 
1 1 1   16   15    0 o  100.578   7.3668   92.247   13.923 0.000000 0.000000 
1 1 1   16   15    1 o   70.711   8.0137   51.577   10.737 -0.4119873 16.02743 
1 1 1   16   15    2 o   42.845   9.8578   18.448   10.144 11.33018 19.71560 
1 1 1   16   15    3 o  104.844   7.9890   83.834   12.884 137.3021 15.97807 
1 1 1   16   15    4 o   38.962   13.706   14.265   13.290      ?      ? 
1 1 1   16   15    5 o   21.672   7.0486  -9.7429   7.4207 -7.636908 14.09714 
1 1 1   16   15    6 o   50.049   7.9407   31.110   7.7762 -8.057396 15.88147 
1 1 1   16   15    7 o   34.368   9.2532   10.491   8.7518 1.769104 18.50644 
1 1 1   16   15    8 o   34.465   8.8272   11.771   7.8017 -1.878021 17.65445 
1 1 1   16   15    9 o   30.939   8.3595   7.6724   7.5797 7.633961 16.71903 
1 1 1   16   15   10 o   86.456   5.8214   78.790   10.061 -3.358673 11.64276 
1 1 1   16   15   11 o   26.992   8.3604   0.4016   8.5262 2.296288 16.72081 
1 1 1   16   15   12 o   33.136   9.1239   8.0254   8.5881 -15.57998 18.24790 
1 1 1   16   15   13 o   55.748   11.131   34.246   13.199 11.69240 22.26132 
1 1 1   16   16    0 o   60.424   14.431   44.073   12.980 0.000000 0.000000 
1 1 1   16   16    1 o   33.238   8.9593   10.090   8.2360 0.7005043 17.91854 
1 1 1   16   16    2 o   59.055   7.9528   37.687   8.8668 11.68827 15.90561 
1 1 1   16   16    3 o   30.846   8.3741   5.7780   8.4104 -13.50618 16.74827 
1 1 1   16   16    4 o   77.244   5.2559   62.459   8.0703 -9.504036 10.51185 
1 1 1   16   16    5 o   37.892   8.9458   15.834   8.1345 7.501186 17.89168 
1 1 1   16   16    6 o   28.061   8.3489   6.2510   8.2981 -10.05494 16.69781 
1 1 1   16   16    7 o   21.757   7.3966  -8.8893   9.0411 -2.978567 14.79317 
1 1 1   16   16    8 o   41.458   9.9021   17.117   9.6127 -0.9211617 19.80421 
1 1 1   16   16    9 o   73.627   9.1194   59.290   12.928 12.53940 18.23883 
1 1 1   17    0    1 o   88.710   5.4630   79.199   9.0214 0.000000 0.000000 
1 1 1   17    0    2 o  195.528   5.1116  381.675   18.516 0.000000 0.000000 
1 1 1   17    0    3 o  338.413   7.6019  1145.04   48.024 0.000000 0.000000 
1 1 1   17    0    4 o   42.827   11.614   24.511   10.258 0.000000 0.000000 
1 1 1   17    0    5 o  270.743   6.2872  734.207   31.969 0.000000 0.000000 
1 1 1   17    0    6 o  503.121   10.991  2549.31  103.909 0.000000 0.000000 
1 1 1   17    0    7 o  577.858   11.824  3387.53  119.003 0.000000 0.000000 
1 1 1   17    0    8 o  353.637   7.3962  1266.90   45.911 0.000000 0.000000 
1 1 1   17    0    9 o   54.241   9.8174   37.350   8.5061 0.000000 0.000000 
1 1 1   17    0   10 o  355.180   7.4690  1272.74   46.316 0.000000 0.000000 
1 1 1   17    0   11 o  452.316   9.3764  2055.86   73.290 0.000000 0.000000 
1 1 1   17    0   12 o  199.291   5.1362  406.004   18.357 0.000000 0.000000 
1 1 1   17    0   13 o  286.104   6.8002  789.481   35.353 0.000000 0.000000 
1 1 1   17    0   14 o  356.656   7.5807  1272.66   46.650 0.000000 0.000000 
1 1 1   17    0   15 o  150.033   7.3473  227.191   21.934 0.000000 0.000000 
1 1 1   17    0   16 o  456.548   11.725  2122.97  106.691 0.000000 0.000000 
1 1 1   17    0   17 o  252.531   5.8016  647.740   26.038 0.000000 0.000000 
1 1 1   17    0   18 o  123.377   5.4862  151.430   12.210 0.000000 0.000000 
1 1 1   17    0   19 o  384.656   8.2963  1455.75   53.125 0.000000 0.000000 
1 1 1   17    0   20 o   88.120   9.4323   83.952   11.949 0.000000 0.000000 
1 1 1   17    0   21 o   47.539   12.800   32.502   11.444 0.000000 0.000000 
1 1 1   17    0   22 o   43.454   12.556   25.538   9.8066 0.000000 0.000000 
1 1 1   17    0   23 o   26.257   11.235   3.9996   9.6502 0.000000 0.000000 
1 1 1   17    0   24 o  114.639   6.1004  127.271   11.518 0.000000 0.000000 
1 1 1   17    0   26 o   21.069   10.158  -4.8333   11.504 0.000000 0.000000 
1 1 1   17    0   27 o   30.480   12.598   14.068   12.516 0.000000 0.000000 
1 1 1   17    0   28 o   19.513   8.7745   5.7339   9.3140 0.000000 0.000000 
1 1 1   17    1    0 o  181.495   5.0271  328.843   16.977 0.000000 0.000000 
1 1 1   17    1    1 f   76.322   3.8847   57.952   5.8770 -3.556557 7.769314 
1 1 1   17    1    2 o  185.766   3.3904  344.415   11.450 -1.272766 6.780779 
1 1 1   17    1    3 o  288.798   4.4910  840.298   23.666 4.199463 8.981957 
1 1 1   17    1    4 o  297.443   4.6059  887.418   24.856 1.032501 9.211762 
1 1 1   17    1    5 o   66.330   5.8277   51.996   6.3629 31.22116 11.65547 
1 1 1   17    1    6 o  109.958   3.5074  114.153   7.2343 -17.33989 7.014793 
1 1 1   17    1    7 o  312.906   4.3918  983.988   27.365 12.38962 8.783530 
1 1 1   17    1    8 o  244.397   3.6549  597.678   17.690 -1.191528 7.309808 
1 1 1   17    1    9 f  233.342   3.3260  545.006   15.521 -2.756073 6.652095 
1 1 1   17    1   10 o  167.640   2.9805  281.274   9.9928 -0.6269989 5.960948 
1 1 1   17    1   11 o  280.423   4.1342  778.490   22.662 -14.81424 8.268488 
1 1 1   17    1   12 o  290.938   4.2612  846.684   24.464 3.444977 8.522308 
1 1 1   17    1   13 o  124.861   4.3831  158.361   10.799 -18.43886 8.766189 
1 1 1   17    1   14 o  411.393   5.2644  1698.33   43.273 -10.45889 10.52871 
1 1 1   17    1   15 o  254.310   5.9313  648.534   30.168      ?      ? 
1 1 1   17    1   16 o  254.141   4.1756  648.189   21.219 4.629684 8.351275 
1 1 1   17    1   17 o  133.333   3.7635  178.849   9.9488 -2.344254 7.527042 
1 1 1   17    1   18 o  128.366   4.0392  165.481   10.332 15.06841 8.078397 
1 1 1   17    1   19 o  164.333   4.3130  268.089   13.767 8.826416 8.625984 
1 1 1   17    1   20 o  134.989   4.4905  168.293   11.545 -37.47363 8.980956 
1 1 1   17    1   21 o  133.219   3.6224  176.859   9.5565 10.12520 7.244722 
1 1 1   17    1   22 o   89.392   4.6208   83.204   8.0363 -14.55827 9.241553 
1 1 1   17    1   23 o   31.662   8.4491   8.2716   7.2667 -0.3834782 16.89819 
1 1 1   17    1   24 o   81.112   4.9637   63.776   7.8255 19.58448 9.927349 
1 1 1   17    1   26 o  126.670   6.4311  171.866   16.292      ?      ? 
1 1 1   17    1   27 f   45.514   10.543   21.362   8.5139 5.262291 21.08674 
1 1 1   17    2    0 o   53.994   10.215   41.348   9.4174 0.000000 0.000000 
1 1 1   17    2    1 o  360.701   4.9778  1303.32   35.521 -1.302368 9.955665 
1 1 1   17    2    2 f  338.716   4.3640  1149.10   29.559 3.398926 8.727998 
1 1 1   17    2    3 o  156.206   3.0532  244.070   9.4422 -0.5944977 6.106404 
1 1 1   17    2    4 o  422.899   6.5537  1799.10   52.436 3.354584 13.10735 
1 1 1   17    2    5 o  505.897   6.8532  2565.82   68.482 -5.073639 13.70642 
1 1 1   17    2    6 o  364.204   5.3826  1330.11   39.207 -0.9801025 10.76520 
1 1 1   17    2    7 o  106.371   3.4111  112.989   7.1288 1.412102 6.822217 
1 1 1   17    2    8 o  497.419   6.4544  2484.82   62.172 -0.6282959 12.90872 
1 1 1   17    2    9 o  201.134   3.3960  404.350   13.470 1.912994 6.791981 
1 1 1   17    2   10 o   54.735   7.5161   26.362   7.7008 27.89629 15.03224 
1 1 1   17    2   11 o  172.270   3.9140  306.705   12.765 -18.89433 7.827981 
1 1 1   17    2   12 o  107.243   4.5302  113.582   9.5427 -8.109001 9.060363 
1 1 1   17    2   13 o  137.766   4.2093  188.875   11.527 8.641891 8.418525 
1 1 1   17    2   14 o  255.012   5.4210  646.121   21.180 3.753586 10.84204 
1 1 1   17    2   15 o  408.513   8.5305  1697.06   61.125 -6.378693 17.06095 
1 1 1   17    2   16 o  213.392   4.0912  457.500   16.623 -0.7232056 8.182461 
1 1 1   17    2   17 o  156.329   3.7701  249.621   11.082 -8.589096 7.540264 
1 1 1   17    2   18 o  236.358   3.6320  562.416   16.727 -2.389252 7.264048 
1 1 1   17    2   19 o  143.871   4.3917  209.093   11.656 -1.362885 8.783442 
1 1 1   17    2   20 o   99.359   8.5713  100.150   17.033      ?      ? 
1 1 1   17    2   21 o  136.787   4.3115  182.615   10.672 10.32344 8.622935 
1 1 1   17    2   22 o   33.278   8.2401   10.400   6.7273 3.402187 16.48023 
1 1 1   17    2   23 o  224.803   4.0954  508.266   17.410 4.808426 8.190750 
1 1 1   17    2   24 o   88.853   4.5648   81.852   7.9380 -8.432480 9.129536 
1 1 1   17    2   25 f  220.318   4.9669  399.888   19.449 -93.23520 9.933868 
1 1 1   17    2   26 o  129.008   4.1399  166.698   10.407 13.33521 8.279819 
1 1 1   17    2   27 o   30.304   8.0088   8.4395   6.2790 1.827868 16.01758 
1 1 1   17    2   28 o   55.108   7.1347   31.630   7.6762 -7.699795 14.26931 
1 1 1   17    3    0 o  100.706   7.0653  104.633   13.811 0.000000 0.000000 
1 1 1   17    3    1 o  494.518   7.1730  2456.00   70.929 -5.628693 14.34604 
1 1 1   17    3    2 o  206.426   3.1941  422.863   12.659 6.122849 6.388221 
1 1 1   17    3    3 o  200.428   3.1289  400.786   12.100 2.365677 6.257882 
1 1 1   17    3    4 o  173.280   3.1378  300.184   10.721 1.171982 6.275535 
1 1 1   17    3    5 o  206.941   3.6950  425.353   13.595 3.507462 7.390064 
1 1 1   17    3    6 o  277.916   3.8592  773.278   20.736 0.2433777 7.718312 
1 1 1   17    3    7 o  101.631   3.5183  102.867   6.8911 1.966949 7.036683 
1 1 1   17    3    8 o  347.986   4.8548  1216.36   33.538 -6.463379 9.709686 
1 1 1   17    3    9 o  224.991   3.5849  507.182   15.944 -1.084167 7.169713 
1 1 1   17    3   10 o  466.408   7.6829  1004.25   42.201 -368.9658 15.36585 
1 1 1   17    3   11 o  243.117   4.0454  592.573   19.659 -4.644913 8.090752 
1 1 1   17    3   12 o  220.048   4.7095  485.867   20.687 -1.779785 9.418923 
1 1 1   17    3   13 f  155.265   3.7676  242.042   11.654 -3.266800 7.535159 
1 1 1   17    3   14 o  214.625   4.7280  456.344   20.048 16.78943 9.455961 
1 1 1   17    3   15 o  148.267   4.2045  219.821   11.411 1.186676 8.409031 
1 1 1   17    3   16 o   99.430   5.2071  101.385   9.4487 -4.825851 10.41416 
1 1 1   17    3   17 o  149.855   4.1936  226.955   11.911 -2.849319 8.387178 
1 1 1   17    3   18 o   47.783   10.802   19.528   9.9538 16.03696 21.60395 
1 1 1   17    3   20 o  106.372   4.7523  115.575   9.2540 -2.977165 9.504536 
1 1 1   17    3   21 o   86.811   5.4942   80.853   8.3048 -10.84314 10.98846 
1 1 1   17    3   22 o   60.742   7.2340   34.334   6.9338 10.34060 14.46806 
1 1 1   17    3   23 o  151.256   5.0780  228.450   10.389 2.413620 10.15591 
1 1 1   17    3   24 o   61.873   8.2147   42.842   6.8470 -6.340073 16.42945 
1 1 1   17    3   25 o  176.206   5.6359  346.783   17.415 -96.73751 11.27187 
1 1 1   17    3   26 o   61.089   9.0220   39.232   11.023      ?      ? 
1 1 1   17    3   27 o  106.200   8.8447  100.724   7.2500 14.74409 17.68945 
1 1 1   17    4    0 o  271.318   5.2440  738.480   28.402 0.000000 0.000000 
1 1 1   17    4    1 o  461.471   5.8253  2136.32   53.760 -2.684418 11.65053 
1 1 1   17    4    2 o   90.674   4.0509   81.912   7.3030 -4.182236 8.101760 
1 1 1   17    4    3 o  413.431   5.2751  1713.82   43.615 -3.103912 10.55012 
1 1 1   17    4    4 o  239.634   3.9161  573.900   18.742 -9.255447 7.832265 
1 1 1   17    4    5 f  139.592   4.3918  191.563   12.107 30.74095 8.783548 
1 1 1   17    4    6 o  234.892   3.4694  552.539   15.756 -0.2897186 6.938884 
1 1 1   17    4    7 o  288.917   3.9849  836.928   22.329 -1.381866 7.969875 
1 1 1   17    4    8 o  112.107   3.4910  121.948   7.5973 13.66608 6.981905 
1 1 1   17    4    9 o  354.149   5.3324  1255.41   37.713 -12.49634 10.66478 
1 1 1   17    4   10 o   37.800   9.2824   12.175   8.7297 9.559120 18.56483 
1 1 1   17    4   11 o  211.650   4.2871  455.073   17.897 -24.71661 8.574201 
1 1 1   17    4   12 o  245.938   4.3426  604.520   19.944 2.148361 8.685270 
1 1 1   17    4   13 o  202.873   4.6619  412.326   18.915      ?      ? 
1 1 1   17    4   14 o  194.936   3.4357  375.126   12.721 9.020294 6.871320 
1 1 1   17    4   15 o  112.576   4.4394  122.093   8.8779 9.736549 8.878730 
1 1 1   17    4   16 o  142.233   3.7680  204.121   10.592 -5.228439 7.536052 
1 1 1   17    4   17 o   82.452   5.6340   68.739   9.2886 2.425629 11.26791 
1 1 1   17    4   18 o  180.681   4.0796  298.573   12.852 32.65376 8.159129 
1 1 1   17    4   19 o  132.032   4.6698  175.037   12.331      ?      ? 
1 1 1   17    4   20 o   69.638   6.9169   53.620   7.4354 -9.703613 13.83384 
1 1 1   17    4   21 o  111.993   4.2960  127.218   7.5950 -1.104446 8.592086 
1 1 1   17    4   22 o  124.646   4.2287  144.334   8.2592 15.94473 8.457475 
1 1 1   17    4   23 o   99.134   5.0404   89.936   6.2925 12.21023 10.08088 
1 1 1   17    4   24 o   59.319   10.653   37.969   12.180      ?      ? 
1 1 1   17    4   25 o  124.141   8.8988  161.501   13.382 2.656952 17.79763 
1 1 1   17    4   26 o   67.279   12.464   37.600   9.2259 19.45168 24.92866 
1 1 1   17    5    0 o  189.319   6.4420  361.568   24.269 0.000000 0.000000 
1 1 1   17    5    1 o   63.098   5.4488   39.897   6.8645 5.129726 10.89756 
1 1 1   17    5    2 o  156.829   3.9672  234.792   11.985 -26.30786 7.934336 
1 1 1   17    5    3 o  179.969   3.3888  320.242   11.928 -10.18710 6.777572 
1 1 1   17    5    4 o  399.491   5.0945  1599.97   40.703 -2.397766 10.18905 
1 1 1   17    5    5 o  246.047   4.3573  581.358   19.358 23.02234 8.714528 
1 1 1   17    5    6 o  392.703   6.1621  1547.30   45.571 -0.1734924 12.32413 
1 1 1   17    5    7 o  241.730   4.9840  574.769   23.798 -28.06030 9.967977 
1 1 1   17    5    8 o  211.962   3.8769  449.777   16.429 5.396805 7.753860 
1 1 1   17    5    9 o  173.610   4.5507  300.284   15.750 15.66530 9.101349 
1 1 1   17    5   10 o  204.117   3.6045  410.428   14.366 14.90382 7.209049 
1 1 1   17    5   11 o  221.628   4.0460  487.171   15.850 4.838928 8.092043 
1 1 1   17    5   12 o  268.523   3.9177  723.993   20.248 -1.718658 7.835341 
1 1 1   17    5   13 o  146.535   4.1068  213.348   11.137 3.504089 8.213621 
1 1 1   17    5   14 o  127.719   4.0498  164.556   9.2460 -1.589638 8.099518 
1 1 1   17    5   15 o   89.905   5.7933   75.448   9.9580 23.19968 11.58666 
1 1 1   17    5   16 o   74.239   5.7721   55.363   8.4877 3.472961 11.54430 
1 1 1   17    5   17 o  239.713   3.8372  579.753   18.255 -8.413757 7.674466 
1 1 1   17    5   18 f  128.781   4.7455  171.735   11.769 -15.89718 9.491066 
1 1 1   17    5   19 o   57.666   7.2516   36.024   7.6017 -7.322731 14.50329 
1 1 1   17    5   20 o  136.903   3.7741  184.977   10.134 14.74942 7.548186 
1 1 1   17    5   21 o   97.600   4.0474   86.938   6.9731 19.63786 8.094702 
1 1 1   17    5   22 o  102.822   4.7634   95.552   6.5852 14.75180 9.526711 
1 1 1   17    5   23 o   40.640   10.278   14.053   10.041 16.94588 20.55568 
1 1 1   17    5   24 o  228.442   5.9334  525.117   27.109      ?      ? 
1 1 1   17    5   25 o   51.913   10.381   22.949   8.6522 21.79594 20.76217 
1 1 1   17    5   26 o   74.926   6.5585   58.033   9.8280      ?      ? 
1 1 1   17    5   27 o  183.685   6.1941  340.482   22.755      ?      ? 
1 1 1   17    6    0 o  334.731   6.2498  1122.83   41.714 0.000000 0.000000 
1 1 1   17    6    1 o  456.288   6.2524  2085.20   56.289 5.687622 12.50483 
1 1 1   17    6    2 o  332.473   4.3869  1107.36   29.169 1.410645 8.773732 
1 1 1   17    6    3 o  229.669   3.9581  527.824   18.165 4.283157 7.916228 
1 1 1   17    6    4 o  351.012   9.1251  1237.19   64.060      ?      ? 
1 1 1   17    6    5 o  305.514   5.3733  872.513   30.090 -50.19318 10.74658 
1 1 1   17    6    6 o  149.695   3.6009  224.307   10.694 -0.7035217 7.201793 
1 1 1   17    6    8 o  226.185   4.5429  514.186   20.173 2.903122 9.085741 
1 1 1   17    6    9 o   95.082   5.9044   90.087   11.082 -21.55260 11.80871 
1 1 1   17    6   10 o   49.015   8.3573   24.733   7.9872 6.027145 16.71460 
1 1 1   17    6   11 o  221.768   4.4438  498.250   19.204 -10.60690 8.887518 
1 1 1   17    6   12 o   98.114   5.2965   93.522   10.071 12.94928 10.59303 
1 1 1   17    6   13 o  256.851   5.8730  662.675   30.170      ?      ? 
1 1 1   17    6   14 o  152.277   3.4351  236.179   9.9433 -7.986633 6.870164 
1 1 1   17    6   15 o   36.644   8.7676   11.823   7.2514 9.301657 17.53521 
1 1 1   17    6   16 o  232.692   3.6349  546.211   16.263 -3.937378 7.269750 
1 1 1   17    6   17 o  162.786   4.7119  267.419   15.309 -11.86174 9.423766 
1 1 1   17    6   18 o  132.192   4.3022  155.082   9.8859 31.80895 8.604356 
1 1 1   17    6   19 o  120.167   3.8010  142.804   8.6567 7.043236 7.602096 
1 1 1   17    6   20 o  112.035   4.6634  111.878   9.2516 28.67882 9.326867 
1 1 1   17    6   21 o   65.211   6.0477   39.997   7.3353 15.04991 12.09539 
1 1 1   17    6   22 o   22.817   7.4131  -2.1650   5.5119 8.307096 14.82626 
1 1 1   17    6   24 o   49.862   10.278   22.509   9.8544 31.01839 20.55609 
1 1 1   17    6   25 f   32.986   9.6648   6.5340   7.7606 10.81829 19.32962 
1 1 1   17    6   26 o   20.988   7.4653  -7.9953   9.4610 8.341545 14.93053 
1 1 1   17    7    0 o  150.080   5.7824  221.217   16.725 0.000000 0.000000 
1 1 1   17    7    1 f  122.019   5.1784  149.387   12.637 -1.755241 10.35682 
1 1 1   17    7    2 o  346.399   4.9381  1204.39   33.913 1.680603 9.876172 
1 1 1   17    7    3 f  426.464   5.9048  1830.74   50.018 8.103363 11.80970 
1 1 1   17    7    4 o  130.032   7.3316  169.681   19.067      ?      ? 
1 1 1   17    7    5 o  327.720   5.6967  1082.11   36.756 6.431610 11.39346 
1 1 1   17    7    6 o  155.335   5.3135  238.037   13.372 -4.262787 10.62694 
1 1 1   17    7    7 o  263.038   4.2834  693.514   22.526 -7.077209 8.566866 
1 1 1   17    7    8 f  183.863   5.6374  339.816   15.531 -0.5807953 11.27481 
1 1 1   17    7    9 o  346.466   5.9517  1196.07   39.913 11.85800 11.90340 
1 1 1   17    7   10 o  281.717   4.6927  811.103   25.683 -23.75531 9.385374 
1 1 1   17    7   11 o  125.849   3.5747  159.052   8.9835 -3.109406 7.149480 
1 1 1   17    7   12 o  272.414   3.8118  745.000   20.767 -3.768188 7.623618 
1 1 1   17    7   13 o   67.843   7.6253   47.793   10.023 -9.479980 15.25066 
1 1 1   17    7   14 f   36.834   8.6629   13.199   7.4286 2.381069 17.32576 
1 1 1   17    7   15 o   73.413   5.5135   55.767   7.8868 -9.885002 11.02695 
1 1 1   17    7   16 o  232.545   4.3382  536.973   18.595 7.477570 8.676315 
1 1 1   17    7   17 f   67.781   7.6659   42.299   9.4299 43.10441 15.33180 
1 1 1   17    7   18 f  123.835   4.3996  153.288   10.069 3.532539 8.799151 
1 1 1   17    7   19 o   42.729   9.0163   18.465   7.6108 6.253929 18.03252 
1 1 1   17    7   20 o   76.388   5.2858   59.685   7.5322 -0.3692627 10.57166 
1 1 1   17    7   21 o   78.642   5.6637   59.401   7.3575 8.537712 11.32734 
1 1 1   17    7   22 o   40.771   9.6258   8.1361   7.4765 30.11192 19.25169 
1 1 1   17    7   23 o   77.783   12.852   76.806   19.994      ?      ? 
1 1 1   17    7   24 o   54.443   8.3478   33.057   9.0709 -17.63876 16.69560 
1 1 1   17    7   25 o   35.274   9.7207   17.432   9.7103 0.9603920 19.44140 
1 1 1   17    7   26 o   41.434   10.107   18.965   10.172 5.121964 20.21384 
1 1 1   17    8    0 o   64.699   13.946   53.820   16.022 0.000000 0.000000 
1 1 1   17    8    1 o  271.818   4.1675  740.709   22.460 0.4151001 8.334985 
1 1 1   17    8    2 o  202.055   3.9890  408.448   16.103 10.76080 7.977985 
1 1 1   17    8    3 o  263.092   4.0870  687.011   21.097 13.26648 8.173965 
1 1 1   17    8    4 o  151.937   3.9492  231.428   11.994 6.952621 7.898469 
1 1 1   17    8    5 o  123.739   3.9498  153.491   9.7097 0.1360703 7.899666 
1 1 1   17    8    6 o  257.504   7.7024  666.190   39.668      ?      ? 
1 1 1   17    8    7 o  146.237   3.7988  213.510   10.931 -3.274506 7.597631 
1 1 1   17    8    8 o  276.231   4.1560  765.003   22.736 2.378723 8.311935 
1 1 1   17    8    9 o  174.862   3.2867  306.447   11.491 4.996918 6.573400 
1 1 1   17    8   10 o  205.425   3.6708  423.877   14.910 -1.189392 7.341519 
1 1 1   17    8   11 o  242.003   4.3165  583.470   19.652 -5.942963 8.632945 
1 1 1   17    8   12 o  140.964   4.2255  200.746   11.761 3.727524 8.451018 
1 1 1   17    8   13 o  121.140   4.6183  149.198   11.039 22.46474 9.236535 
1 1 1   17    8   14 o  145.483   4.0388  207.338   11.499 -17.76093 8.077509 
1 1 1   17    8   15 o  190.571   3.5324  365.050   13.389 -0.4002075 7.064878 
1 1 1   17    8   16 o   65.236   7.0082   45.059   8.4160 4.975018 14.01645 
1 1 1   17    8   17 o   65.041   6.2351   41.489   7.8909 -12.51269 12.47016 
1 1 1   17    8   18 o   92.905   4.4812   85.691   7.9985 6.691895 8.962440 
1 1 1   17    8   19 o   66.855   7.4043   43.495   7.9930 7.770622 14.80852 
1 1 1   17    8   20 f  101.422   4.2573  101.674   8.0289 7.474030 8.514674 
1 1 1   17    8   21 o   20.935   7.2533 -23.6646   9.2844 6.098444 14.50668 
1 1 1   17    8   22 o   77.819   6.9123   55.104   9.2091 31.63920 13.82455 
1 1 1   17    8   23 o   85.367   4.3212   73.413   6.2991 2.053070 8.642464 
1 1 1   17    8   24 o   51.463   14.841   34.513   16.118      ?      ? 
1 1 1   17    8   25 o   64.815   14.403   46.710   18.180      ?      ? 
1 1 1   17    9    0 o  254.652   5.3379  651.938   27.131 0.000000 0.000000 
1 1 1   17    9    1 o  239.240   3.9381  567.258   18.440 -13.08405 7.876267 
1 1 1   17    9    2 o  204.989   3.7047  418.325   14.937 -7.783875 7.409364 
1 1 1   17    9    3 o  178.083   3.5783  318.175   12.560 -0.6295013 7.156592 
1 1 1   17    9    4 o  163.068   3.5880  266.498   11.524 0.6094360 7.176029 
1 1 1   17    9    5 o  180.223   3.2817  325.070   11.817 7.303787 6.563453 
1 1 1   17    9    6 o   55.238   6.9614   31.400   7.5218 4.820187 13.92288 
1 1 1   17    9    7 o  293.203   4.2901  866.341   25.050 9.990265 8.580145 
1 1 1   17    9    8 o   29.756   8.2713   5.1622   7.2546 2.920038 16.54267 
1 1 1   17    9    9 o  340.188   4.8732  1165.35   32.778 -1.161377 9.746325 
1 1 1   17    9   10 o   78.750   5.3834   63.629   8.3054 7.610352 10.76678 
1 1 1   17    9   11 o  163.916   3.2358  269.648   10.607 0.2281952 6.471560 
1 1 1   17    9   12 f   82.198   5.3302   68.545   8.6017 -1.735107 10.66031 
1 1 1   17    9   13 o  120.571   4.1573  146.514   9.9196 22.99313 8.314616 
1 1 1   17    9   14 o  151.114   3.6385  231.102   10.821 -3.653732 7.277064 
1 1 1   17    9   15 o  146.956   4.0034  213.648   10.922 -7.499695 8.006735 
1 1 1   17    9   16 o   57.301   6.0448   33.678   6.9035 -6.446060 12.08951 
1 1 1   17    9   17 o  168.890   3.3518  289.198   11.239 -7.989838 6.703622 
1 1 1   17    9   18 o   99.793   3.7804  100.872   7.5448 -0.9293900 7.560710 
1 1 1   17    9   19 o   85.842   4.2462   75.289   7.2846 -4.434692 8.492432 
1 1 1   17    9   20 o  233.780   6.8340  551.310   31.953      ?      ? 
1 1 1   17    9   21 o   78.040   6.4389   66.184   9.9586 2.581963 12.87773 
1 1 1   17    9   22 o   75.806   6.1110   61.653   8.9894 -8.731201 12.22206 
1 1 1   17    9   23 o   71.280   5.9095   52.358   7.6853 15.69490 11.81905 
1 1 1   17    9   24 o  131.282   5.4355  185.928   13.283 -23.91999 10.87101 
1 1 1   17   10    0 o  204.661   6.1348  406.181   22.249 0.000000 0.000000 
1 1 1   17   10    1 f  105.845   4.4691  114.994   9.2276 -12.82518 8.938263 
1 1 1   17   10    2 o  181.320   3.5920  324.878   12.776 13.44060 7.183943 
1 1 1   17   10    3 o  230.115   3.4862  531.297   16.044 -1.636612 6.972467 
1 1 1   17   10    4 o  131.712   5.4541  174.978   14.351 -8.572731 10.90827 
1 1 1   17   10    5 o   95.599   5.1310   94.358   9.5593 13.89671 10.26204 
1 1 1   17   10    6 o  161.001   3.3782  260.508   10.802 1.344635 6.756500 
1 1 1   17   10    7 o   90.742   4.1266   82.648   7.4815 -4.956146 8.253228 
1 1 1   17   10    8 o  176.364   3.1990  312.154   11.283 2.956863 6.398023 
1 1 1   17   10    9 o   48.987   7.6465   24.915   7.5329 17.71509 15.29292 
1 1 1   17   10   10 o  184.055   4.4041  330.531   15.702 -21.56535 8.808281 
1 1 1   17   10   11 o   93.724   4.8800   88.540   9.1038 -3.037804 9.760036 
1 1 1   17   10   12 o  156.593   3.6198  249.085   11.235 12.29208 7.239586 
1 1 1   17   10   13 o  115.459   4.3225  135.062   9.9675 -5.767601 8.645049 
1 1 1   17   10   14 o   92.888   4.7263   86.259   8.5921 6.750351 9.452511 
1 1 1   17   10   15 o  139.597   3.6297  196.502   9.9576 1.054688 7.259490 
1 1 1   17   10   16 o   76.906   4.7922   60.576   7.2984 -13.27876 9.584355 
1 1 1   17   10   17 f  121.106   3.5740  147.662   8.6232 -8.327759 7.147929 
1 1 1   17   10   18 o   53.323   8.3091   35.959   11.164 -45.61927 16.61819 
1 1 1   17   10   19 o   35.630   10.335   5.6201   11.824 -2.655830 20.67042 
1 1 1   17   10   20 o   83.221   4.6077   70.418   7.6169 -5.720512 9.215388 
1 1 1   17   10   21 o   74.620   5.7104   58.970   8.2567 3.584946 11.42073 
1 1 1   17   10   22 o   41.502   9.7284   37.666   9.9540 11.50454 19.45676 
1 1 1   17   10   23 o   56.197   8.5886  102.972   10.599 -44.10135 17.17717 
1 1 1   17   11    0 o   61.718   11.241   36.273   12.637 0.000000 0.000000 
1 1 1   17   11    1 o  100.995   4.0389  102.839   8.1358 7.087814 8.077870 
1 1 1   17   11    2 o   91.583   4.2829   84.434   7.8440 1.566383 8.565791 
1 1 1   17   11    3 o  154.045   3.6535  238.749   11.087 -0.9166412 7.306913 
1 1 1   17   11    4 o   95.778   4.2147   92.480   8.0676 -3.300896 8.429432 
1 1 1   17   11    5 o   28.489   8.2070   3.0949   7.4340 4.214811 16.41396 
1 1 1   17   11    6 f  119.991   7.5754  145.409   18.180      ?      ? 
1 1 1   17   11    7 o   49.778   7.9128   26.166   7.9694 17.49789 15.82551 
1 1 1   17   11    8 o   98.814   3.9637   98.543   7.8273 1.982025 7.927410 
1 1 1   17   11    9 o   69.671   5.6248   49.069   7.7442 -3.319786 11.24958 
1 1 1   17   11   10 o  137.400   3.3837  189.920   9.2940 4.460358 6.767306 
1 1 1   17   11   11 o   74.471   5.3037   56.504   7.8460 -0.4687424 10.60744 
1 1 1   17   11   12 o   74.411   5.6972   56.770   8.4582 -5.430229 11.39437 
1 1 1   17   11   13 o   34.573   8.7560   10.016   8.2967 -12.22715 17.51195 
1 1 1   17   11   14 o  155.410   3.6300  244.718   11.235 3.283920 7.260056 
1 1 1   17   11   15 o  106.901   3.9807  115.137   8.4624 15.84609 7.961423 
1 1 1   17   11   16 o   94.467   5.7178   86.906   10.107 15.83803 11.43554 
1 1 1   17   11   17 o  130.361   5.2476  172.195   13.301 2.213470 10.49517 
1 1 1   17   11   18 o   77.295   6.5471   60.197   9.6243 -14.02592 13.09414 
1 1 1   17   11   19 o   69.281   7.0194   49.651   9.3628 -7.544838 14.03882 
1 1 1   17   11   20 o   32.101   8.5841   8.9011   8.0253 8.923349 17.16829 
1 1 1   17   11   21 o   89.878   12.283   83.671   22.079      ?      ? 
1 1 1   17   12    0 o   75.350   8.9008   59.637   11.683 0.000000 0.000000 
1 1 1   17   12    1 o  177.770   3.2644  318.011   11.606 -2.101517 6.528863 
1 1 1   17   12    2 f  115.631   3.6902  134.899   8.5257 5.985275 7.380388 
1 1 1   17   12    3 o  106.254   4.2748  111.385   8.9049 -12.37628 8.549575 
1 1 1   17   12    4 o   86.383   4.4038   75.491   7.6059 2.405235 8.807647 
1 1 1   17   12    5 o   92.706   4.9471   89.810   8.8073 -12.62635 9.894258 
1 1 1   17   12    6 o   58.283   8.1764   37.143   8.7060 -7.208885 16.35290 
1 1 1   17   12    7 f  150.486   3.4746  227.710   10.416 4.510818 6.949159 
1 1 1   17   12    8 o   52.423   11.825   29.910   12.103      ?      ? 
1 1 1   17   12    9 o   86.488   5.3246   76.667   8.9558 2.070107 10.64922 
1 1 1   17   12   10 f  129.322   4.3325  170.770   11.120 -7.929741 8.665072 
1 1 1   17   12   11 o   76.443   9.6243   60.795   14.714      ?      ? 
1 1 1   17   12   12 o  185.310   3.7632  348.062   13.947 -1.338516 7.526372 
1 1 1   17   12   13 o   70.426   6.5556   48.810   8.8546 -15.36314 13.11114 
1 1 1   17   12   14 o   98.977   4.7109   96.133   9.1591 18.38377 9.421801 
1 1 1   17   12   15 o   87.677   8.2810   71.987   12.451 66.72108 16.56197 
1 1 1   17   12   16 o  132.481   4.8461  182.634   12.782 12.79870 9.692133 
1 1 1   17   12   17 o   50.568   9.1103   29.685   9.1884 0.9707947 18.22055 
1 1 1   17   12   18 o   54.443   10.294   34.989   11.288 5.497574 20.58801 
1 1 1   17   12   19 o   55.113   10.766   32.572   12.460 20.37294 21.53295 
1 1 1   17   13    0 o  131.160   4.8877  174.267   12.667 0.000000 0.000000 
1 1 1   17   13    1 o   60.333   5.9436   37.358   7.1048 -10.79295 11.88727 
1 1 1   17   13    2 o   36.551   8.4787   13.491   7.0978 -3.903873 16.95748 
1 1 1   17   13    3 o   82.885   4.7094   69.219   7.7719 -7.949440 9.418777 
1 1 1   17   13    4 o   42.624   8.3181   19.715   7.3048 -0.4985924 16.63624 
1 1 1   17   13    5 o   62.208   9.4803   45.054   9.2434 10.99011 18.96052 
1 1 1   17   13    6 o   52.995   9.9907   32.472   10.098 6.931923 19.98134 
1 1 1   17   13    7 f   36.281   8.7727   12.960   7.8054 7.486748 17.54542 
1 1 1   17   13    8 o   44.281   11.650   15.453   10.385 15.82806 23.30080 
1 1 1   17   13    9 o   67.555   6.2459   47.378   8.4223 -1.570152 12.49175 
1 1 1   17   13   10 o  115.859   3.9797  137.029   9.2118 7.602570 7.959427 
1 1 1   17   13   12 o  143.798   4.8292  198.894   13.120 -19.17052 9.658373 
1 1 1   17   13   13 o   62.863   7.0979   47.028   8.5072 -10.70122 14.19573 
1 1 1   17   13   14 o   56.793   7.9358   35.237   8.6450 8.769363 15.87158 
1 1 1   17   13   15 o  106.502   4.8880  112.507   10.195 -26.70638 9.775958 
1 1 1   17   13   16 o   66.190   6.8751   47.324   8.7776 15.52401 13.75011 
1 1 1   17   13   17 o   29.046   8.6564   1.2822   8.7839 4.463097 17.31283 
1 1 1   17   14    0 o   20.183   9.4767  -1.9651   9.8623 0.000000 0.000000 
1 1 1   17   14    1 o   28.851   8.0172   5.5861   6.8792 4.187567 16.03436 
1 1 1   17   14    2 o   66.458   6.1943   43.352   7.9807 21.56905 12.38855 
1 1 1   17   14    3 o   50.889   7.6397   28.456   7.4100 1.086956 15.27946 
1 1 1   17   14    4 o   58.576   6.0090   35.946   7.0279 3.806667 12.01794 
1 1 1   17   14    5 o   26.402   7.9316   1.9132   7.2287 2.651241 15.86317 
1 1 1   17   14    6 o   42.547   9.1924   17.461   8.2264 14.72092 18.38477 
1 1 1   17   14    7 o   41.945   10.482   16.516   10.924 0.5103645 20.96457 
1 1 1   17   14    8 o   81.900   8.7759   68.008   14.375      ?      ? 
1 1 1   17   14    9 o   28.679   8.9168  -0.9369   9.6794 -4.123487 17.83363 
1 1 1   17   14   10 o  127.326   4.9737  168.391   12.522 0.9327698 9.947302 
1 1 1   17   14   11 o  110.159   4.7439  126.122   10.363 -14.90041 9.487779 
1 1 1   17   14   12 o   63.596   6.8496   41.808   8.3603 -16.22727 13.69920 
1 1 1   17   14   13 o  108.638   4.4618  120.175   9.5342 -6.212120 8.923508 
1 1 1   17   14   14 o   33.879   9.1732   22.809   9.1160 8.573675 18.34632 
1 1 1   17   14   15 o   74.258   7.3317   56.038   10.794 7.831078 14.66337 
1 1 1   17   15    0 o   62.170   13.132   58.260   14.076 0.000000 0.000000 
1 1 1   17   15    1 o   77.259   5.3962   65.206   8.3121 -8.489494 10.79234 
1 1 1   17   15    2 o   29.171   8.2698   3.6277   8.6001 -16.13290 16.53963 
1 1 1   17   15    3 o   68.030   6.1138   48.545   8.1800 16.49990 12.22761 
1 1 1   17   15    4 o   91.723   4.3987   86.105   8.0587 6.548386 8.797305 
1 1 1   17   15    5 o   34.733   8.5520   12.228   7.3440 -4.166946 17.10409 
1 1 1   17   15    6 o   26.421   8.1429   0.1082   8.0117 -1.696325 16.28586 
1 1 1   17   15    7 o   72.399   5.8659   53.664   8.3790 -15.83847 11.73174 
1 1 1   17   15    8 o   36.750   8.5254   10.421   8.1068 -23.61902 17.05082 
1 1 1   17   15    9 o   61.799   8.8884   43.798   10.599 1.866463 17.77672 
1 1 1   17   15   10 o   47.146   8.7199   43.216   8.4658 10.97297 17.43973 
1 1 1   17   15   11 f   45.447   9.8688   20.541   9.3369 -10.75576 19.73757 
1 1 1   17   15   12 o   45.361   10.422   20.928   10.136 -8.818367 20.84484 
1 1 1   17   16    0 o   24.829   11.937  -0.1735   14.124 0.000000 0.000000 
1 1 1   17   16    1 o   90.285   5.6236   88.488   9.9744 1.102135 11.24718 
1 1 1   17   16    2 o   43.151   9.2196   27.242   8.6902 -6.589378 18.43911 
1 1 1   17   16    4 o   21.635   7.4121  -5.2852   9.4398 3.805431 14.82412 
1 1 1   17   16    5 o   19.706   6.8381 -24.2946   9.1595 -1.196747 13.67619 
1 1 1   17   16    6 o   61.293   7.5173   39.145   8.9671 -9.558117 15.03469 
1 1 1   17   16    7 o  102.229   8.5502  124.246   14.243 31.80217 17.10034 
1 1 1   18    0    0 o  393.134   10.068  1552.31   78.823 0.000000 0.000000 
1 1 1   18    0    1 o  143.246   4.8749  202.636   12.903 0.000000 0.000000 
1 1 1   18    0    2 o   59.854   7.8189   39.692   8.1351 0.000000 0.000000 
1 1 1   18    0    3 o  198.925   5.3619  390.657   19.667 0.000000 0.000000 
1 1 1   18    0    4 o  519.758   13.059  2717.65  135.558 0.000000 0.000000 
1 1 1   18    0    5 o  376.172   8.0058  1395.00   50.493 0.000000 0.000000 
1 1 1   18    0    6 o  291.010   6.3090  861.305   32.335 0.000000 0.000000 
1 1 1   18    0    7 o   99.246   5.9235  100.919   11.131 0.000000 0.000000 
1 1 1   18    0    8 o   26.873   11.378   8.0099   10.565 0.000000 0.000000 
1 1 1   18    0   10 o  156.814   5.0057  246.012   14.086 0.000000 0.000000 
1 1 1   18    0   11 o  326.027   7.4648  1068.97   46.007 0.000000 0.000000 
1 1 1   18    0   12 o  176.478   5.0838  312.980   16.082 0.000000 0.000000 
1 1 1   18    0   13 o  144.018   5.2280  207.982   13.593 0.000000 0.000000 
1 1 1   18    0   15 o  172.140   5.0611  303.636   15.703 0.000000 0.000000 
1 1 1   18    0   16 o   42.895   12.868   23.138   10.450 0.000000 0.000000 
1 1 1   18    0   17 o  482.100   10.209  2319.97   82.738 0.000000 0.000000 
1 1 1   18    0   18 o  302.969   6.6354  931.689   35.333 0.000000 0.000000 
1 1 1   18    0   19 o   53.987   14.678   39.188   14.986 0.000000 0.000000 
1 1 1   18    0   20 o   47.604   9.2677   36.000   10.675 0.000000 0.000000 
1 1 1   18    0   21 o   29.233   11.530   3.5755   9.8987 0.000000 0.000000 
1 1 1   18    0   22 o   19.951   9.5086  -3.0657   9.4875 0.000000 0.000000 
1 1 1   18    0   23 o   58.087   11.310   41.567   10.268 0.000000 0.000000 
1 1 1   18    0   24 o  165.836   5.8002  268.045   15.684 0.000000 0.000000 
1 1 1   18    0   26 o   39.277   13.830   24.736   13.083 0.000000 0.000000 
1 1 1   18    0   27 o   62.209   10.066   43.499   10.400 0.000000 0.000000 
1 1 1   18    0   28 o  100.107   9.5162  109.434   17.426 0.000000 0.000000 
1 1 1   18    1    0 o   77.297   7.1583   62.741   8.5690 0.000000 0.000000 
1 1 1   18    1    1 o  377.409   4.8221  1427.25   36.395 -2.541199 9.644192 
1 1 1   18    1    2 o  404.592   6.2828  1649.85   48.236 5.964508 12.56566 
1 1 1   18    1    3 o  426.291   6.2366  1823.16   53.154 6.426697 12.47323 
1 1 1   18    1    4 o  127.960   4.1596  164.074   10.083 55.52465 8.319119 
1 1 1   18    1    5 o  312.564   4.8329  988.812   27.710 8.066956 9.665846 
1 1 1   18    1    6 f  175.547   4.5753  300.709   11.745 -6.516541 9.150522 
1 1 1   18    1    7 o  174.520   4.5677  294.789   11.612 -8.461243 9.135455 
1 1 1   18    1    8 o   65.286   6.7433   47.381   7.5633 51.45710 13.48657 
1 1 1   18    1   10 o   26.651   8.0805  -8.2400   8.2104 16.45454 16.16100 
1 1 1   18    1   11 o  188.720   5.3942  356.832   20.360      ?      ? 
1 1 1   18    1   12 o  290.826   4.2577  841.832   24.329 10.73883 8.515472 
1 1 1   18    1   13 o  177.616   3.8122  311.328   12.883 8.674759 7.624423 
1 1 1   18    1   14 o  352.087   5.9468  1241.74   40.843 5.861084 11.89355 
1 1 1   18    1   15 o  186.479   3.2690  348.584   12.188 -0.5456848 6.538041 
1 1 1   18    1   16 o  397.595   6.3187  1578.14   46.611 -11.64566 12.63732 
1 1 1   18    1   17 o  280.171   4.7274  793.081   25.196 -3.384827 9.454799 
1 1 1   18    1   18 o  177.715   3.2439  316.944   11.528 0.5944214 6.487799 
1 1 1   18    1   19 o  195.362   4.3508  389.102   16.778 26.25772 8.701521 
1 1 1   18    1   20 o  169.107   3.9244  290.000   12.418 2.804214 7.848867 
1 1 1   18    1   21 o   83.981   4.4271   71.777   7.3899 4.103172 8.854180 
1 1 1   18    1   22 f  149.304   3.1257  224.541   9.3334 1.502213 6.251468 
1 1 1   18    1   23 o   49.236   7.2449   26.250   6.9001 2.076458 14.48974 
1 1 1   18    1   24 o   76.077   5.1196   60.367   7.7569 6.517090 10.23918 
1 1 1   18    1   25 o   46.962   10.472   4.0750   11.799 44.94193 20.94354 
1 1 1   18    1   26 o   42.972   8.9359   20.721   7.9355 -3.722820 17.87180 
1 1 1   18    1   27 o   31.391   8.5014   9.1788   7.3928 1.083870 17.00290 
1 1 1   18    1   28 o   91.816   8.3061   87.375   15.253      ?      ? 
1 1 1   18    2    0 o   47.723   10.738   29.720   8.5601 0.000000 0.000000 
1 1 1   18    2    1 o  267.297   4.4279  714.764   22.272 -0.9790649 8.855838 
1 1 1   18    2    2 o  305.418   4.0348  934.266   24.646 0.9915771 8.069626 
1 1 1   18    2    3 o  315.699   4.4500  1000.09   27.882 4.025574 8.900077 
1 1 1   18    2    4 o  158.268   2.9764  250.015   9.4009 6.308762 5.952816 
1 1 1   18    2    5 o  165.012   3.2248  266.975   10.387 14.77815 6.449501 
1 1 1   18    2    6 o  284.131   4.1194  808.889   23.194 0.6004333 8.238714 
1 1 1   18    2    7 o  196.691   3.3555  384.834   13.019 -7.281403 6.711094 
1 1 1   18    2    8 o  285.641   4.4611  817.432   25.485 -2.675140 8.922184 
1 1 1   18    2    9 o  469.281   9.7004  2212.83   91.044      ?      ? 
1 1 1   18    2   10 o  318.013   6.8935  1014.95   38.208 -0.6076965 13.78708 
1 1 1   18    2   11 o   41.943   14.115   16.691   14.017      ?      ? 
1 1 1   18    2   13 o   64.743   6.7519   41.457   8.3439 3.801064 13.50379 
1 1 1   18    2   14 o   39.350   8.8883   14.102   8.2828 14.66508 17.77661 
1 1 1   18    2   15 o  253.487   3.7782  646.159   18.703 -2.677719 7.556446 
1 1 1   18    2   16 o  214.611   3.5013  462.559   14.594 -1.066513 7.002559 
1 1 1   18    2   17 o  280.219   4.5897  784.750   23.168 4.291687 9.179353 
1 1 1   18    2   18 o  226.267   5.5496  530.909   18.740 -10.40170 11.09922 
1 1 1   18    2   19 o  132.206   5.2862  175.674   13.977      ?      ? 
1 1 1   18    2   20 o  118.807   3.9977  138.545   9.0872 10.65027 7.995321 
1 1 1   18    2   21 o   28.707   8.0597   1.0643   7.2673 15.14683 16.11948 
1 1 1   18    2   22 o   82.943   6.9133   59.865   8.6044 19.11015 13.82658 
1 1 1   18    2   23 o   38.355   9.7372   15.113   8.4902 -3.581150 19.47443 
1 1 1   18    2   24 o   69.370   9.6362   23.990   10.398 69.75684 19.27240 
1 1 1   18    2   25 o   73.754   6.1385   58.274   8.9346 -9.866394 12.27702 
1 1 1   18    2   26 o   31.831   8.9818   7.6566   8.5617 0.5072651 17.96351 
1 1 1   18    2   27 o   32.885   8.3630   19.414   8.1822 18.25151 16.72597 
1 1 1   18    3    0 o  181.355   4.9983  338.119   15.974 0.000000 0.000000 
1 1 1   18    3    1 o  374.175   5.1852  1401.85   38.331 3.224976 10.37047 
1 1 1   18    3    2 o  127.521   3.1829  163.326   7.9171 -1.997177 6.365894 
1 1 1   18    3    3 o  228.011   3.8073  520.654   17.362 -0.8977356 7.614601 
1 1 1   18    3    4 o  201.369   3.2482  410.024   12.761 -9.912659 6.496354 
1 1 1   18    3    5 o  181.041   3.1604  329.799   11.072 -3.873383 6.320725 
1 1 1   18    3    6 o   62.570   5.8110   39.594   7.1332 -2.800678 11.62209 
1 1 1   18    3    7 o  254.819   4.2467  646.322   19.377 3.418320 8.493476 
1 1 1   18    3    8 o  190.749   6.4063  364.597   24.440      ?      ? 
1 1 1   18    3    9 o  235.607   4.5002  558.852   20.813 -5.555832 9.000380 
1 1 1   18    3   10 o  188.643   4.5940  338.310   16.818 41.06288 9.188016 
1 1 1   18    3   11 o   91.941   5.2944   79.396   9.0994 16.01302 10.58882 
1 1 1   18    3   12 o  264.741   4.4122  699.563   20.804 2.648529 8.824337 
1 1 1   18    3   13 o  146.927   6.5281  216.604   19.183      ?      ? 
1 1 1   18    3   14 f  205.640   4.0117  420.126   14.530 4.023605 8.023472 
1 1 1   18    3   15 o  143.367   3.5781  206.911   9.7754 -1.662949 7.156256 
1 1 1   18    3   16 o  223.159   4.0280  505.417   15.609 -5.100861 8.056006 
1 1 1   18    3   17 o  149.639   4.0150  235.945   10.302 -14.91667 8.029922 
1 1 1   18    3   18 o  102.382   5.1780  103.216   9.7959 6.396553 10.35607 
1 1 1   18    3   19 o  114.654   5.0268  134.329   11.313 -6.619308 10.05356 
1 1 1   18    3   20 o  165.771   4.2247  280.375   13.683 -8.463730 8.449408 
1 1 1   18    3   21 o  166.714   3.9317  284.789   11.366 -5.504486 7.863363 
1 1 1   18    3   22 o  249.323   4.4758  619.401   19.134 7.849991 8.951636 
1 1 1   18    3   23 o  121.334   4.7068  142.372   9.4030 10.24265 9.413516 
1 1 1   18    3   24 o   94.534   6.2338   89.676   8.7081 0.8545990 12.46768 
1 1 1   18    3   25 o   87.913   9.4740   64.447   7.2243 20.58905 18.94800 
1 1 1   18    3   26 o   69.987   8.2650   50.073   6.5231 1.178535 16.53003 
1 1 1   18    4    0 o  241.383   5.9981  590.074   27.573 0.000000 0.000000 
1 1 1   18    4    1 o  517.758   6.5033  2692.00   67.340 3.077148 13.00657 
1 1 1   18    4    2 o  225.540   3.3108  508.984   14.930 4.920059 6.621695 
1 1 1   18    4    3 o  213.699   3.5249  456.724   14.868 -1.433075 7.049817 
1 1 1   18    4    4 o  113.317   4.2503  128.627   9.5773 16.19132 8.500519 
1 1 1   18    4    5 o  144.266   3.6645  206.848   9.5581 2.412231 7.329070 
1 1 1   18    4    6 o  153.287   3.6752  235.212   11.266 2.886185 7.350354 
1 1 1   18    4    7 o  230.993   4.8397  534.726   22.350 -2.792419 9.679311 
1 1 1   18    4    8 o   72.038   7.6954   49.103   9.8063 59.81147 15.39071 
1 1 1   18    4    9 o  328.909   8.6823  1087.18   57.114      ?      ? 
1 1 1   18    4   10 o   81.118   6.1689   61.013   9.4594 18.89926 12.33771 
1 1 1   18    4   11 o  240.123   4.1805  589.194   18.292 -11.53279 8.361052 
1 1 1   18    4   12 o  128.928   5.3863  166.606   13.889      ?      ? 
1 1 1   18    4   13 o  287.789   4.6618  839.696   24.402 -7.019409 9.323528 
1 1 1   18    4   14 o   83.842   5.0748   70.774   8.3873 -0.1451645 10.14958 
1 1 1   18    4   15 o   93.383   4.5364   91.675   7.9659 -14.84760 9.072823 
1 1 1   18    4   16 f  241.305   3.6624  590.711   17.244 -11.56810 7.324831 
1 1 1   18    4   17 o   70.788   5.8881   51.945   7.8902 -5.795547 11.77628 
1 1 1   18    4   18 o  173.443   4.7094  303.276   16.333 -2.097672 9.418811 
1 1 1   18    4   19 f   47.512   11.041   19.428   9.7060 15.31529 22.08185 
1 1 1   18    4   20 o  298.727   4.8636  915.650   26.393 -9.029907 9.727172 
1 1 1   18    4   21 o  126.520   4.3500  152.406   8.9909 12.49010 8.699982 
1 1 1   18    4   22 o  152.222   4.3006  226.207   10.332 8.409317 8.601130 
1 1 1   18    4   23 o  163.954   5.3211  268.569   11.055 3.778732 10.64212 
1 1 1   18    4   24 o   86.620   10.871   68.642   7.8794 9.368546 21.74106 
1 1 1   18    4   25 o   66.602   8.0585   38.816   9.1458 28.31246 16.11706 
1 1 1   18    4   26 o   82.293   8.3149   71.262   13.685      ?      ? 
1 1 1   18    5    0 o  362.204   6.6725  1314.70   48.185 0.000000 0.000000 
1 1 1   18    5    1 o  121.081   4.1490  146.834   10.008 -14.31916 8.298083 
1 1 1   18    5    2 o  252.372   3.6270  636.813   18.291 8.109650 7.254025 
1 1 1   18    5    3 o  409.536   5.2499  1681.04   42.990 -5.955963 10.49979 
1 1 1   18    5    5 o  344.433   9.1040  1191.82   62.715      ?      ? 
1 1 1   18    5    6 o   47.375   8.4970   23.667   8.4380 18.15460 16.99399 
1 1 1   18    5    7 o  313.083   5.4196  984.759   33.363 1.586426 10.83913 
1 1 1   18    5    8 o  319.516   5.5219  1025.43   34.524 -0.7967529 11.04378 
1 1 1   18    5    9 o   63.789   6.2276   38.759   7.5934 11.04668 12.45512 
1 1 1   18    5   10 o  166.908   5.2711  262.990   12.049 13.38936 10.54226 
1 1 1   18    5   11 o  175.358   5.1179  308.142   17.949      ?      ? 
1 1 1   18    5   12 o  145.456   4.0125  211.335   10.207 1.138474 8.024975 
1 1 1   18    5   13 o  106.319   4.1566  117.044   8.2804 -10.30584 8.313251 
1 1 1   18    5   14 o   42.428   8.5018   18.922   7.3378 -1.480492 17.00365 
1 1 1   18    5   15 o  230.275   3.5653  538.071   15.955 -10.77927 7.130651 
1 1 1   18    5   16 o  181.590   3.4157  334.464   11.928 -7.239273 6.831461 
1 1 1   18    5   17 o  121.255   4.6903  125.062   10.428 52.64393 9.380535 
1 1 1   18    5   18 o   25.314   7.8423  -9.0116   8.1252 14.69289 15.68464 
1 1 1   18    5   19 o  121.909   3.6837  151.801   8.2982 -4.561813 7.367364 
1 1 1   18    5   20 o  129.641   3.8277  168.078   9.6312 5.155296 7.655420 
1 1 1   18    5   21 o  117.548   3.8236  133.383   8.2242 12.82803 7.647110 
1 1 1   18    5   22 o   35.153   9.4955   6.3133   6.7378 20.60152 18.99108 
1 1 1   18    5   23 o  121.897   7.0729   43.874   7.9024 127.1987 14.14589 
1 1 1   18    5   24 o   65.923   8.8165   43.383   9.3985 13.62409 17.63299 
1 1 1   18    5   25 o   35.711   9.8987   9.5555   8.7398 11.36009 19.79734 
1 1 1   18    6    0 o  244.445   5.1522  599.682   25.130 0.000000 0.000000 
1 1 1   18    6    1 o  243.249   3.9189  593.395   18.892 1.849655 7.837709 
1 1 1   18    6    2 o   53.743   8.3806   36.778   9.9084 38.75707 16.76112 
1 1 1   18    6    3 o  230.889   4.2582  536.534   18.686 3.249161 8.516301 
1 1 1   18    6    4 o   53.505   7.5408   32.089   10.179 52.40739 15.08164 
1 1 1   18    6    5 o  371.953   7.9546  1389.27   59.175      ?      ? 
1 1 1   18    6    6 o  298.862   5.2815  883.210   30.424 -15.96991 10.56297 
1 1 1   18    6    7 o   99.351   4.1383   98.887   8.2171 2.108604 8.276589 
1 1 1   18    6    8 o  215.277   5.5922  438.290   17.759 18.24518 11.18440 
1 1 1   18    6    9 o  228.443   7.2088  524.042   32.936      ?      ? 
1 1 1   18    6   10 f  130.331   3.8429  169.762   9.9166 -2.893036 7.685873 
1 1 1   18    6   11 o  183.071   3.5440  337.141   12.813 -3.700043 7.088056 
1 1 1   18    6   12 o   63.495   6.1790   40.147   7.5059 2.918770 12.35801 
1 1 1   18    6   13 o  165.923   3.3696  272.575   10.597 6.502991 6.739260 
1 1 1   18    6   14 o  349.832   5.4365  1245.46   34.586 -7.543091 10.87310 
1 1 1   18    6   15 f   56.295   7.4066   33.944   7.5621 -6.467876 14.81314 
1 1 1   18    6   16 o  117.091   4.6082  138.875   10.731 -10.03121 9.216408 
1 1 1   18    6   17 f   27.835   8.4646  -2.1913   8.7885 8.429394 16.92923 
1 1 1   18    6   18 o  132.926   3.7899  177.352   9.8962 3.310944 7.579777 
1 1 1   18    6   19 o  142.118   3.5658  202.424   9.6094 2.653381 7.131660 
1 1 1   18    6   20 o   54.405   7.5914   32.846   7.5214 -8.188122 15.18276 
1 1 1   18    6   21 o   63.075   7.1187   34.295   7.6131 20.83462 14.23742 
1 1 1   18    6   22 o   40.090   10.313   12.290   8.7422 14.99389 20.62531 
1 1 1   18    6   23 o   64.414   7.8878   22.209   6.3387 50.38506 15.77555 
1 1 1   18    6   24 o   45.738   11.135   20.065   9.1532 11.16224 22.26931 
1 1 1   18    6   25 o   52.577   10.994   30.020   9.3213 6.587662 21.98742 
1 1 1   18    6   26 o  157.545   5.9614  216.047   14.357 35.78703 11.92278 
1 1 1   18    7    0 o   77.983   9.4589   68.090   12.842 0.000000 0.000000 
1 1 1   18    7    1 o  300.941   4.1324  907.785   24.871 1.941711 8.264749 
1 1 1   18    7    2 o  372.959   4.8850  1395.77   36.437 -3.037933 9.770072 
1 1 1   18    7    3 o  423.106   6.5967  1828.20   54.018 -27.01718 13.19335 
1 1 1   18    7    4 o  181.309   4.2376  329.752   15.131 -0.2457428 8.475234 
1 1 1   18    7    5 o  402.005   6.3464  1624.55   48.089 1.221497 12.69284 
1 1 1   18    7    6 o   96.804   9.3256   94.397   18.055      ?      ? 
1 1 1   18    7    7 f  436.581   7.2337  1925.15   62.059 -4.838562 14.46747 
1 1 1   18    7    8 o  232.407   3.7809  543.254   17.495 -8.629227 7.561853 
1 1 1   18    7    9 o  109.460   4.8676  120.084   10.071 0.8945999 9.735215 
1 1 1   18    7   10 o  217.429   4.1493  478.564   17.065 -5.570526 8.298670 
1 1 1   18    7   11 o  128.492   3.9732  165.888   10.199 -1.444199 7.946315 
1 1 1   18    7   12 o   78.449   5.7276   62.162   8.8906 -15.34795 11.45525 
1 1 1   18    7   13 o  163.006   3.6813  262.756   11.904 -26.24106 7.362596 
1 1 1   18    7   14 o   53.192   7.6917   29.967   7.8317 -0.2243614 15.38336 
1 1 1   18    7   15 o  218.786   4.3369  463.478   17.150 18.62550 8.673709 
1 1 1   18    7   16 o   67.101   6.6826   46.327   8.9345 -1.383240 13.36518 
1 1 1   18    7   17 o   52.956   7.8523   30.529   7.8382 -6.911381 15.70463 
1 1 1   18    7   18 o   56.624   6.8875   30.144   7.2273 19.22329 13.77509 
1 1 1   18    7   19 o   40.479   8.3617   18.624   7.6648 -14.07726 16.72341 
1 1 1   18    7   20 o  127.245   4.2544  164.253   9.3378 -0.2786789 8.508849 
1 1 1   18    7   21 o   18.398   6.5035 -32.4445   9.4379 1.322048 13.00700 
1 1 1   18    7   22 o  154.829   8.6184  246.164   26.688      ?      ? 
1 1 1   18    7   23 o   80.999   4.8239   65.533   6.8336 4.462959 9.647819 
1 1 1   18    7   24 o   33.177   9.6107   7.4037   10.039 -2.436777 19.22133 
1 1 1   18    7   25 o  303.033   6.9782  894.130   35.910 -24.29272 13.95636 
1 1 1   18    8    0 o  148.680   7.4837  225.850   21.972 0.000000 0.000000 
1 1 1   18    8    1 f  199.733   3.7271  402.079   14.784 11.89641 7.454107 
1 1 1   18    8    2 o  277.654   7.7257  774.557   42.901      ?      ? 
1 1 1   18    8    3 o  126.665   4.9526  162.499   12.431 11.74776 9.905175 
1 1 1   18    8    4 o   84.418   5.7334   71.829   9.6604 -5.093491 11.46682 
1 1 1   18    8    5 o   89.577   7.8025   73.796   11.876 66.98549 15.60492 
1 1 1   18    8    6 o  133.933   3.7730  179.678   10.057 -2.122879 7.546067 
1 1 1   18    8    7 o  153.868   3.5307  237.206   10.810 -1.839935 7.061495 
1 1 1   18    8    8 o  108.096   4.8245  116.175   9.8402 -3.665726 9.648993 
1 1 1   18    8    9 o  336.305   5.4502  1148.59   34.938 9.259399 10.90034 
1 1 1   18    8   10 o  271.482   4.0957  741.745   22.080 2.219116 8.191420 
1 1 1   18    8   11 o   93.272   4.9851   87.865   9.2688 -1.818497 9.970177 
1 1 1   18    8   12 o  113.942   3.9566  130.587   8.9673 -0.1661682E-01 7.913201 
1 1 1   18    8   13 o  100.246   5.0878  100.389   10.118 17.92862 10.17551 
1 1 1   18    8   14 o   34.413   8.7232   7.0368   8.1204 17.95150 17.44631 
1 1 1   18    8   15 o   34.165   8.4657   10.588   7.2251 6.827089 16.93134 
1 1 1   18    8   16 o   55.402   6.8718   32.189   7.4331 1.748043 13.74359 
1 1 1   18    8   17 o   72.016   4.9261   52.901   7.0663 -2.176300 9.852265 
1 1 1   18    8   18 o   73.541   6.2296   47.287   7.5173 19.03941 12.45924 
1 1 1   18    8   19 o  130.420   3.6772  172.899   8.8300 -1.630768 7.354383 
1 1 1   18    8   20 o   41.340   9.1417   18.674   8.8004 -11.25782 18.28331 
1 1 1   18    8   21 o   84.958   7.5773   90.589   10.231 -55.06333 15.15468 
1 1 1   18    8   22 o   44.398   8.3218   20.380   7.6376 20.07994 16.64356 
1 1 1   18    8   23 o   65.650   6.0923   43.440   7.4524 7.172344 12.18457 
1 1 1   18    8   24 o   46.282   9.6622   22.701   8.6519      ?      ? 
1 1 1   18    9    0 o   92.694   10.751  104.244   14.636 0.000000 0.000000 
1 1 1   18    9    1 o  141.625   3.7883  200.959   10.606 -1.613174 7.576592 
1 1 1   18    9    2 o  170.405   3.3054  291.166   11.263 1.578323 6.610810 
1 1 1   18    9    3 o  164.944   3.6045  271.628   11.681 4.319199 7.208924 
1 1 1   18    9    4 o   30.486   8.3849   5.3823   7.5579 -6.198151 16.76976 
1 1 1   18    9    5 o   93.187   4.6602   86.601   8.6141 -5.857529 9.320402 
1 1 1   18    9    6 o  146.279   3.3162  214.646   9.7017 -0.2486877 6.632353 
1 1 1   18    9    7 o   97.952   4.1362   96.318   8.0933 -6.674141 8.272431 
1 1 1   18    9    8 o  163.887   3.4290  269.646   11.164 0.3126678 6.857972 
1 1 1   18    9    9 o  160.607   3.2718  258.655   10.505 4.188141 6.543668 
1 1 1   18    9   10 o   54.035   8.1707   30.616   8.4830 -5.995846 16.34134 
1 1 1   18    9   11 o   71.998   8.1197   52.585   11.640 -75.65853 16.23934 
1 1 1   18    9   12 o   97.565   4.5102   96.285   8.7591 -2.054993 9.020342 
1 1 1   18    9   13 o  147.569   3.6595  218.667   10.615 2.806274 7.318959 
1 1 1   18    9   14 o  123.374   3.6917  154.009   9.0535 3.673431 7.383311 
1 1 1   18    9   15 o   70.989   5.0558   51.274   7.1747 2.752769 10.11162 
1 1 1   18    9   16 o   62.879   6.4706   43.013   7.5734 -14.99759 12.94116 
1 1 1   18    9   17 o   62.060   5.8482   39.743   7.1923 10.87928 11.69639 
1 1 1   18    9   18 o  126.103   3.3647  161.133   8.4810 0.1428375 6.729388 
1 1 1   18    9   19 f   54.054   8.2954   35.080   9.0704 -30.27239 16.59081 
1 1 1   18    9   20 o   54.032   7.0212   24.720   11.610 67.81884 14.04239 
1 1 1   18    9   21 o   41.795   9.3236   19.853   8.5097 0.5502510 18.64712 
1 1 1   18    9   22 o   73.003   7.3839   53.734   10.190 14.68215 14.76789 
1 1 1   18    9   23 o  108.513   5.8868  118.714   12.776      ?      ? 
1 1 1   18   10    0 o  125.235   6.2523  168.145   14.651 0.000000 0.000000 
1 1 1   18   10    1 o  204.191   4.2494  416.720   15.966 3.094681 8.498821 
1 1 1   18   10    2 o  191.149   3.6287  366.824   13.680 0.7511749 7.257312 
1 1 1   18   10    3 o  118.624   4.4773  144.178   10.436 18.20395 8.954591 
1 1 1   18   10    4 o   78.640   4.8704   62.347   7.6586 -1.644150 9.740837 
1 1 1   18   10    5 o  281.949   3.8930  798.352   21.942 5.739532 7.785989 
1 1 1   18   10    6 o   84.925   5.0049   72.777   8.4956 -4.172752 10.00979 
1 1 1   18   10    7 o  126.675   3.6815  160.758   9.2981 -5.571892 7.363031 
1 1 1   18   10    8 o  119.654   4.4282  144.834   10.544 -10.78771 8.856383 
1 1 1   18   10    9 f   35.964   7.8556   10.975   7.3354 -21.28302 15.71129 
1 1 1   18   10   10 o   69.231   5.8250   49.008   8.0209 1.517952 11.65001 
1 1 1   18   10   11 o  109.099   3.8509  119.873   8.3953 3.803329 7.701766 
1 1 1   18   10   12 o   32.538   9.0353   7.3572   8.5240 1.824554 18.07068 
1 1 1   18   10   13 o   94.868   4.5714   88.741   8.5487 -18.63754 9.142714 
1 1 1   18   10   14 o  106.465   5.5310  114.602   11.023 3.049911 11.06191 
1 1 1   18   10   15 o  132.305   3.9458  176.640   10.052 1.705490 7.891652 
1 1 1   18   10   16 o   77.946   4.6928   62.145   7.3135 -0.7863998 9.385656 
1 1 1   18   10   17 o   27.886   8.3328   1.6781   7.9135 -4.484274 16.66560 
1 1 1   18   10   18 o   85.393   10.481   74.646   17.900      ?      ? 
1 1 1   18   10   19 o  109.304   4.6220  121.178   10.008 -21.28114 9.243991 
1 1 1   18   10   20 o   35.342   8.7209   13.063   7.5988 2.443420 17.44188 
1 1 1   18   10   21 o   31.947   8.8099   20.483   8.1847 -9.991106 17.61985 
1 1 1   18   10   22 o   69.474   9.1355   46.933   12.113 46.14756 18.27099 
1 1 1   18   11    0 o   77.960   7.5332   64.424   11.130 0.000000 0.000000 
1 1 1   18   11    1 o   83.566   5.9120   70.829   9.1210 0.8637161 11.82395 
1 1 1   18   11    3 o   90.429   6.3296   83.037   11.382 -12.57408 12.65924 
1 1 1   18   11    4 o  227.801   7.0852  524.175   32.281      ?      ? 
1 1 1   18   11    5 o   77.381   6.4502   61.385   9.6804 -1.962585 12.90034 
1 1 1   18   11    6 o  155.688   3.2748  243.908   10.196 -1.717819 6.549597 
1 1 1   18   11    7 o   81.383   4.5421   67.025   7.3915 -2.252235 9.084182 
1 1 1   18   11    8 o   95.979   4.1214   92.711   7.8795 -3.632759 8.242808 
1 1 1   18   11    9 o  112.804   4.8285  111.268   9.9670 -39.80594 9.657043 
1 1 1   18   11   10 o   76.238   5.2675   60.494   7.8102 8.587181 10.53491 
1 1 1   18   11   11 o   27.683   8.0553   3.0933   7.2027 -1.575243 16.11066 
1 1 1   18   11   12 o   83.872   6.6233   70.608   10.167 5.618484 13.24656 
1 1 1   18   11   13 o  100.793   4.2697  103.478   8.5862 6.831406 8.539466 
1 1 1   18   11   14 o  111.684   4.9094  128.332   10.494 2.229065 9.818768 
1 1 1   18   11   15 o   80.476   7.7210   73.891   11.153 24.30104 15.44200 
1 1 1   18   11   16 o  110.080   7.8452  122.536   17.272      ?      ? 
1 1 1   18   11   17 o  169.528   5.0105  294.143   16.988      ?      ? 
1 1 1   18   11   18 o   37.448   8.7230   12.537   8.3966 -20.41518 17.44607 
1 1 1   18   11   19 o   53.453   8.6918   32.627   9.1068 -8.655174 17.38361 
1 1 1   18   11   20 o   30.790   8.9949   0.7780   10.099 9.779760 17.98975 
1 1 1   18   12    0 o   29.628   12.087   12.112   11.168 0.000000 0.000000 
1 1 1   18   12    1 o  130.159   3.8517  170.828   10.022 -4.728073 7.703381 
1 1 1   18   12    2 o   92.759   4.6552   87.314   8.6256 5.017540 9.310337 
1 1 1   18   12    3 o   63.645   7.3093   44.097   8.7028 13.11122 14.61864 
1 1 1   18   12    4 o  107.051   5.0554  118.481   10.321 6.614838 10.11080 
1 1 1   18   12    5 o   95.527   4.6504   92.815   8.8675 6.418938 9.300795 
1 1 1   18   12    6 o   81.005   6.3116   68.427   9.7028 -4.565262 12.62328 
1 1 1   18   12    7 o   75.031   7.3829   58.735   10.982 12.18993 14.76573 
1 1 1   18   12    8 o   91.044   4.6083   82.615   8.3063 15.92333 9.216605 
1 1 1   18   12    9 f   33.675   8.6977   9.8928   7.6181 6.151962 17.39540 
1 1 1   18   12   10 o  138.728   4.7579  187.793   11.428 10.76920 9.515895 
1 1 1   18   12   11 f   87.939   5.2105   76.938   8.8218 9.514198 10.42094 
1 1 1   18   12   12 o   55.317   7.2380   32.122   7.7144 19.85379 14.47601 
1 1 1   18   12   13 o   48.952   15.812   25.078   17.608      ?      ? 
1 1 1   18   12   14 o   83.465   7.8522   68.635   12.636 14.20775 15.70442 
1 1 1   18   12   15 o   68.294   7.0355   47.850   9.3986 12.03101 14.07092 
1 1 1   18   12   16 f   84.269   6.8142   76.198   11.407 9.432961 13.62844 
1 1 1   18   12   17 o   31.089   9.0734   5.6030   8.9917 -3.717627 18.14675 
1 1 1   18   12   18 o   29.381   8.5915   0.7463   9.1933 12.26031 17.18301 
1 1 1   18   12   19 o   26.939   8.7819   0.0256   10.949 1.737972 17.56382 
1 1 1   18   13    0 o   34.083   12.609   18.256   11.086 0.000000 0.000000 
1 1 1   18   13    1 o   79.260   5.1204   64.212   8.1150 -2.253250 10.24070 
1 1 1   18   13    2 o   42.192   8.5699   19.480   7.6283 2.758530 17.13973 
1 1 1   18   13    3 o   45.509   8.0505   22.528   7.4189 11.99723 16.10093 
1 1 1   18   13    4 o   91.220   5.0110   85.294   9.0905 3.260185 10.02202 
1 1 1   18   13    5 o  115.852   4.2274  136.556   9.7721 9.269188 8.454711 
1 1 1   18   13    6 o   83.813   5.0473   69.899   8.3373 -16.76096 10.09454 
1 1 1   18   13    7 o   40.569   9.3047   17.788   8.6127 0.4798431 18.60943 
1 1 1   18   13    8 o   22.229   7.5329 -13.9377   8.9046 -3.579716 15.06586 
1 1 1   18   13    9 o   27.449   8.7980  -8.7164   10.158 10.99495 17.59606 
1 1 1   18   13   10 o   69.713   8.1422   47.212   11.447 -71.66389 16.28437 
1 1 1   18   13   11 o   39.567   9.6701   5.4660   12.644 -28.36035 19.34028 
1 1 1   18   13   12 o   69.912   5.7348   52.036   8.0069 5.307114 11.46958 
1 1 1   18   13   13 o   66.945   5.8953   47.175   7.8695 5.888130 11.79051 
1 1 1   18   13   14 o  140.283   4.0208  191.184   10.887 26.59122 8.041696 
1 1 1   18   13   15 o   38.521   8.8716   15.673   8.2335 16.03491 17.74322 
1 1 1   18   13   16 o   77.128   7.6306   62.340   11.104 26.74522 15.26118 
1 1 1   18   14    0 o   17.317   8.6241 -13.3111   10.733 0.000000 0.000000 
1 1 1   18   14    1 o   21.526   7.1534 -11.2812   7.9373 3.126513 14.30682 
1 1 1   18   14    2 f  109.513   7.2489  122.398   15.877      ?      ? 
1 1 1   18   14    3 o   23.886   7.6498  -5.6408   7.8685 -0.2998829 15.29970 
1 1 1   18   14    4 o   56.669   8.4683   34.386   9.2180 -6.461643 16.93660 
1 1 1   18   14    5 o   52.386   9.2478   28.345   9.4415 8.133450 18.49556 
1 1 1   18   14    6 o  226.897   5.8344  518.640   26.476      ?      ? 
1 1 1   18   14    7 o   25.681   8.0123  -5.2355   8.9123 -9.636217 16.02468 
1 1 1   18   14    8 o   40.350   8.8232   19.006   7.9533 -6.766342 17.64632 
1 1 1   18   14    9 o   34.667   9.1629   11.230   8.4725 -0.5276260 18.32580 
1 1 1   18   14   10 o   65.415   6.4262   45.479   8.3286 2.044449 12.85248 
1 1 1   18   14   11 o   84.438   6.6508   77.168   11.067 -9.675560 13.30150 
1 1 1   18   14   12 o   34.389   9.3198   10.964   9.2067 8.263302 18.63961 
1 1 1   18   14   13 o   21.962   7.2478 -14.2062   8.5347 7.750843 14.49555 
1 1 1   18   14   14 o   42.038   10.276   17.156   11.682 15.77243 20.55167 
1 1 1   18   15    0 o   23.903   10.730   2.8615   11.220 0.000000 0.000000 
1 1 1   18   15    1 o   32.522   9.2529   7.4385   9.5364 -5.641602 18.50573 
1 1 1   18   15    2 o   45.197   9.1389   23.248   8.6407 7.458500 18.27773 
1 1 1   18   15    3 o  118.745   3.8716  144.142   9.1932 -3.093552 7.743242 
1 1 1   18   15    4 o   58.476   6.8461   37.108   7.7276 11.69388 13.69219 
1 1 1   18   15    5 o   25.954   7.9247   0.6208   7.5171 1.184240 15.84949 
1 1 1   18   15    6 o   64.924   6.4315   44.943   8.3497 -1.731453 12.86302 
1 1 1   18   15    7 o   57.730   7.9172   37.075   8.7618 -4.361698 15.83435 
1 1 1   18   15    8 o   57.320   9.0558   48.220   10.084 1.815651 18.11155 
1 1 1   18   15    9 o   23.665   8.0023 -15.9787   10.146 5.379028 16.00463 
1 1 1   18   15   10 o   75.561   9.2290   61.474   13.176 -31.90286 18.45806 
1 1 1   18   16    0 o   49.485   13.712   35.615   13.825 0.000000 0.000000 
1 1 1   18   16    1 o  179.766   7.6796  327.732   27.611      ?      ? 
1 1 1   18   16    2 f  121.658   6.3777  149.429   15.518      ?      ? 
1 1 1   18   16    3 o  160.895   5.3420  194.187   14.777 -100.4385 10.68391 
1 1 1   18   16    4 o  100.957   6.3329  105.368   12.750 -1.852577 12.66588 
1 1 1   18   16    5 o   48.476   9.3199   34.271   9.2716 0.3659554 18.63971 
1 1 1   19    0    1 o  264.319   5.1293  700.609   27.051 0.000000 0.000000 
1 1 1   19    0    2 o   14.570   7.5542 -27.0148   10.197 0.000000 0.000000 
1 1 1   19    0    3 o   55.178   9.2163   35.933   8.8666 0.000000 0.000000 
1 1 1   19    0    4 o  272.557   6.4255  745.101   32.873 0.000000 0.000000 
1 1 1   19    0    5 o  144.262   4.9074  202.998   12.150 0.000000 0.000000 
1 1 1   19    0    6 o   13.565   9.7188 -14.2648   11.011 0.000000 0.000000 
1 1 1   19    0    7 o  420.814   8.7879  1776.42   73.890 0.000000 0.000000 
1 1 1   19    0    8 o   16.359   11.536 -13.6794   13.907 0.000000 0.000000 
1 1 1   19    0    9 o   29.801   12.494  -0.8014   14.427 0.000000 0.000000 
1 1 1   19    0   10 o  169.951   5.5545  290.474   18.198 0.000000 0.000000 
1 1 1   19    0   11 o  242.807   6.1009  600.365   28.684 0.000000 0.000000 
1 1 1   19    0   12 o   89.739   10.104   88.563   16.181 0.000000 0.000000 
1 1 1   19    0   13 o  247.700   5.9041  615.377   25.659 0.000000 0.000000 
1 1 1   19    0   14 o  146.212   5.3637  221.793   14.071 0.000000 0.000000 
1 1 1   19    0   15 o   14.082   7.4486 -36.1892   10.775 0.000000 0.000000 
1 1 1   19    0   16 o  250.075   5.8197  636.394   25.742 0.000000 0.000000 
1 1 1   19    0   17 o  121.378   7.5782  152.792   17.768 0.000000 0.000000 
1 1 1   19    0   18 o  313.353   6.8898  992.695   37.593 0.000000 0.000000 
1 1 1   19    0   19 o   21.924   13.685   3.8882   11.901 0.000000 0.000000 
1 1 1   19    0   20 o  135.517   5.1319  187.297   12.700 0.000000 0.000000 
1 1 1   19    0   21 o  134.827   5.1640  185.194   12.686 0.000000 0.000000 
1 1 1   19    0   22 o  200.349   5.2051  409.684   18.679 0.000000 0.000000 
1 1 1   19    0   23 o   17.671   9.0508 -28.5828   14.217 0.000000 0.000000 
1 1 1   19    0   25 o   25.339   11.290   5.9898   11.076 0.000000 0.000000 
1 1 1   19    0   26 o   45.583   11.975   31.091   11.845 0.000000 0.000000 
1 1 1   19    0   27 o   91.746   7.5188   87.974   13.358 0.000000 0.000000 
1 1 1   19    1    0 o  375.216   7.9091  1425.84   51.699 0.000000 0.000000 
1 1 1   19    1    1 f  384.369   5.3177  1484.09   40.538 5.261108 10.63542 
1 1 1   19    1    2 o  388.595   5.3667  1515.71   41.323 2.559540 10.73337 
1 1 1   19    1    3 o  293.001   4.0350  860.790   22.935 1.363464 8.070003 
1 1 1   19    1    4 o   19.970   6.6017  -9.0582   6.3980 -3.657545 13.20335 
1 1 1   19    1    5 o  192.024   3.3480  369.026   12.735 -0.4008179 6.696028 
1 1 1   19    1    6 o  432.638   5.9434  1874.39   50.773 -5.006805 11.88688 
1 1 1   19    1    7 o  144.729   3.9704  207.650   10.767 -4.084702 7.940780 
1 1 1   19    1    8 o   66.023   9.7051   52.196   10.683 20.85569 19.41015 
1 1 1   19    1    9 o  238.255   6.0177  550.477   23.622 -13.95822 12.03544 
1 1 1   19    1   10 o  200.380   4.1255  409.747   15.651 12.00581 8.250989 
1 1 1   19    1   11 o  382.710   5.3442  1473.19   40.600 -4.211365 10.68847 
1 1 1   19    1   12 o  106.644   4.5798  114.109   9.7663 1.078201 9.159515 
1 1 1   19    1   13 o  359.567   4.7118  1297.69   33.877 5.155060 9.423698 
1 1 1   19    1   14 o  103.058   4.3252  106.063   8.8787 6.444725 8.650303 
1 1 1   19    1   15 o  219.978   3.6748  483.746   15.995 5.701294 7.349539 
1 1 1   19    1   16 o  201.344   3.5587  406.281   14.228 3.345474 7.117322 
1 1 1   19    1   17 o   23.372   7.5125  -6.3590   7.6753 0.2020798 15.02498 
1 1 1   19    1   18 o  254.613   4.2201  649.259   21.423 -14.49199 8.440131 
1 1 1   19    1   19 o  176.934   3.2716  314.930   11.568 -1.951416 6.543156 
1 1 1   19    1   20 o  144.362   3.2844  209.927   9.4633 0.7076874 6.568826 
1 1 1   19    1   21 o  216.408   3.3782  472.050   14.618 -3.379745 6.756439 
1 1 1   19    1   22 o   98.775   3.9564   98.808   7.8123 -3.376564 7.912740 
1 1 1   19    1   23 o  138.854   3.8634  193.844   10.419 6.451981 7.726711 
1 1 1   19    1   24 o  103.741   10.241  109.611   21.249      ?      ? 
1 1 1   19    1   25 o   26.329   7.9954   0.5548   7.5715 3.096146 15.99071 
1 1 1   19    1   26 o   59.931   6.4271   38.186   7.6920 4.410065 12.85414 
1 1 1   19    1   27 o  252.418   5.3009  607.002   25.721 54.39497 10.60175 
1 1 1   19    2    0 o  154.121   4.9977  243.042   13.420 0.000000 0.000000 
1 1 1   19    2    1 o  182.009   3.0772  331.421   11.198 6.249283 6.154423 
1 1 1   19    2    2 o  224.379   3.3120  504.024   14.863 1.679535 6.623974 
1 1 1   19    2    3 o  270.870   3.7080  734.481   20.082 3.472015 7.415905 
1 1 1   19    2    4 f  373.141   4.8022  1395.10   35.829 4.570007 9.604334 
1 1 1   19    2    5 o  294.729   4.5935  868.788   27.042 10.26767 9.187052 
1 1 1   19    2    6 o  293.690   4.3147  857.130   24.879 11.83984 8.629479 
1 1 1   19    2    7 o  393.605   6.7409  1381.61   46.201 -87.97644 13.48187 
1 1 1   19    2    8 o  227.656   4.4080  519.852   19.746 0.8863983 8.816015 
1 1 1   19    2    9 o  368.906   9.6429  1369.24   71.146      ?      ? 
1 1 1   19    2   11 o  326.962   7.1821  1066.39   39.841 5.469818 14.36418 
1 1 1   19    2   12 o  237.262   5.7754  564.423   27.406      ?      ? 
1 1 1   19    2   13 o  250.808   3.9543  632.966   19.737 -8.353561 7.908667 
1 1 1   19    2   14 o   22.556   7.3515  -8.9812   7.8126 -2.704288 14.70301 
1 1 1   19    2   15 o  120.244   4.0013  144.507   9.5606 4.889526 8.002666 
1 1 1   19    2   16 o  189.910   3.5535  362.349   13.401 -0.3377991 7.107064 
1 1 1   19    2   17 o   34.411   8.7957   9.3723   7.9035 9.495853 17.59135 
1 1 1   19    2   18 o  113.132   7.5665  129.305   17.120      ?      ? 
1 1 1   19    2   19 o   84.137   5.2178   72.094   8.7474 2.134811 10.43566 
1 1 1   19    2   20 o   83.803   4.8623   71.377   8.1477 0.4143982 9.724638 
1 1 1   19    2   21 o  125.743   3.6037  159.449   8.9004 0.6805115 7.207324 
1 1 1   19    2   22 o  162.904   3.5575  268.170   11.492 0.7367859 7.114996 
1 1 1   19    2   23 o   32.878   8.6444   10.208   7.5270 2.639593 17.28881 
1 1 1   19    2   24 o   79.015   12.427   63.170   15.612 4.438316 24.85488 
1 1 1   19    2   25 f   28.224   9.5894  -9.3320   11.066 7.782284 19.17889 
1 1 1   19    2   26 o   65.461   8.1563   39.711   8.1891 14.86040 16.31260 
1 1 1   19    2   27 o  380.872   10.095  1488.53   76.899      ?      ? 
1 1 1   19    3    0 o   64.852   12.447   51.055   13.970 0.000000 0.000000 
1 1 1   19    3    1 o  369.170   4.7650  1365.69   35.177 3.407562 9.530023 
1 1 1   19    3    2 o  296.025   3.9740  877.650   23.528 -1.640381 7.948005 
1 1 1   19    3    3 o  112.377   3.7146  127.223   8.2469 -4.834038 7.429129 
1 1 1   19    3    4 o  391.239   5.9624  1535.11   42.144 -0.1391602 11.92476 
1 1 1   19    3    5 o  222.133   4.3695  496.456   19.106 -5.645920 8.739099 
1 1 1   19    3    6 o  299.958   5.7389  902.689   34.420 -4.542755 11.47779 
1 1 1   19    3    8 o  466.829   11.920  2199.63  111.296      ?      ? 
1 1 1   19    3    9 o  137.474   4.1628  188.179   11.363 -23.33466 8.325657 
1 1 1   19    3   10 o   56.502   7.9608   52.441   9.1124 -49.89777 15.92164 
1 1 1   19    3   12 o   81.737   5.1818   62.235   8.1536 24.63735 10.36353 
1 1 1   19    3   13 o  215.499   3.5192  469.991   14.698 -8.453400 7.038321 
1 1 1   19    3   14 o  145.324   3.4978  214.675   9.7007 -6.793243 6.995553 
1 1 1   19    3   15 o   96.598   4.7252   95.691   8.9162 -10.28302 9.450500 
1 1 1   19    3   16 o  287.130   4.5987  831.730   22.786 -2.077728 9.197348 
1 1 1   19    3   17 o  170.340   3.9836  298.937   11.663 -8.658875 7.967189 
1 1 1   19    3   18 o  129.240   4.5400  173.345   10.488 -8.900124 9.080096 
1 1 1   19    3   19 o  187.560   5.2347  372.743   13.587 -13.49077 10.46946 
1 1 1   19    3   20 o   56.339   7.9607   33.194   7.2533 -0.7538719 15.92145 
1 1 1   19    3   21 o  111.817   5.3932  126.763   10.224 0.7651520 10.78643 
1 1 1   19    3   22 o  177.281   5.5756  312.163   13.626 5.234039 11.15116 
1 1 1   19    3   23 o  129.794   7.4820  196.530   11.876 -24.35410 14.96390 
1 1 1   19    3   24 o   64.397   11.600   55.154   9.5620 -16.45850 23.20030 
1 1 1   19    3   25 o   67.852   8.7151   51.524   8.0669 -5.784996 17.43025 
1 1 1   19    3   26 o   21.126   7.1685  -3.2611   6.1807 6.568136 14.33702 
1 1 1   19    3   27 o   21.450   7.3706  -6.8329   6.6012 7.480871 14.74122 
1 1 1   19    4    0 f  183.032   4.5867  336.560   16.743 0.000000 0.000000 
1 1 1   19    4    1 o  255.504   3.6618  653.664   18.712 -0.4547577 7.323530 
1 1 1   19    4    2 o  330.620   5.6326  1103.25   36.900 -17.61108 11.26512 
1 1 1   19    4    4 o  200.560   4.0430  411.532   14.703 -10.51334 8.086087 
1 1 1   19    4    5 f  145.862   4.2999  210.877   12.344 8.611328 8.599777 
1 1 1   19    4    6 o  224.176   4.4532  504.500   19.604 1.673935 8.906308 
1 1 1   19    4    7 o  284.696   4.5253  800.591   25.507 28.88208 9.050689 
1 1 1   19    4    8 o  493.371   6.7469  2456.54   66.213 -14.66528 13.49376 
1 1 1   19    4    9 o  333.023   6.9405  1138.02   37.874 -12.09833 13.88091 
1 1 1   19    4   10 o   21.303   7.3880 -23.6482   8.8373 9.734299 14.77595 
1 1 1   19    4   11 o   43.063   8.8426   18.468   7.7844 6.099758 17.68520 
1 1 1   19    4   12 o  144.896   3.4834  213.210   9.6756 -6.866608 6.966803 
1 1 1   19    4   13 o  122.567   3.7437  152.807   8.7283 -5.640862 7.487485 
1 1 1   19    4   14 o  131.449   3.5878  173.221   9.0315 0.4035187 7.175643 
1 1 1   19    4   15 o  164.244   3.3848  271.563   10.665 -1.710541 6.769639 
1 1 1   19    4   16 o   29.889   8.4792   4.7332   7.7141 -2.467945 16.95845 
1 1 1   19    4   17 o  160.950   4.8419  260.637   15.524 4.004837 9.683875 
1 1 1   19    4   18 f   89.699   4.6826   81.763   8.0800 -1.266197 9.365145 
1 1 1   19    4   19 f  117.939   4.5419  154.861   8.8174 -22.82690 9.083766 
1 1 1   19    4   20 o   38.579   9.8134   12.528   8.6485 10.45364 19.62680 
1 1 1   19    4   21 o  187.890   4.5451  360.644   16.141 -3.165985 9.090190 
1 1 1   19    4   22 o   50.993   11.001   29.232   8.4995 -5.344475 22.00115 
1 1 1   19    4   23 o  327.519   8.5398  913.498   42.361 82.62692 17.07960 
1 1 1   19    4   24 o   24.841   8.3256  -8.0285   7.6256 12.83276 16.65114 
1 1 1   19    4   25 f   30.400   9.0163   0.1965   6.4985 22.18498 18.03267 
1 1 1   19    5    0 o  480.638   8.6384  2322.19   82.827 0.000000 0.000000 
1 1 1   19    5    1 o  221.764   3.4709  492.048   15.386 -6.809784 6.941829 
1 1 1   19    5    2 o   88.574   5.1532   77.859   9.0773 -9.688690 10.30642 
1 1 1   19    5    3 o  144.462   4.1415  209.154   11.966 0.5549011 8.282961 
1 1 1   19    5    4 o  225.423   4.0260  508.915   18.143 -4.640060 8.052025 
1 1 1   19    5    5 o  329.206   5.7461  1007.95   34.408 -56.52444 11.49218 
1 1 1   19    5    6 o  164.758   4.2415  282.850   13.188 22.55267 8.483075 
1 1 1   19    5    7 o  125.395   4.5905  159.993   10.691 -5.048820 9.181098 
1 1 1   19    5    8 o  236.786   5.5650  559.938   19.160 1.444321 11.13004 
1 1 1   19    5    9 o  143.365   6.5177  206.226   18.688      ?      ? 
1 1 1   19    5   10 o  215.131   3.5115  466.054   14.606 -4.098755 7.023071 
1 1 1   19    5   11 o  114.159   3.9295  130.965   8.5585 -0.6055984 7.858920 
1 1 1   19    5   12 o  154.778   3.4369  241.350   10.160 -2.374725 6.873764 
1 1 1   19    5   13 o  187.881   3.3775  356.413   12.199 -4.633423 6.754964 
1 1 1   19    5   14 o  140.228   3.5173  196.279   9.4209 2.745758 7.034531 
1 1 1   19    5   15 o   72.630   6.4036   54.536   8.0322 -3.254845 12.80724 
1 1 1   19    5   16 f   78.964   9.2929   63.287   14.676      ?      ? 
1 1 1   19    5   17 o  143.044   3.9613  206.073   11.317 6.136627 7.922625 
1 1 1   19    5   18 o   44.262   8.3780   20.741   7.2688 2.317101 16.75591 
1 1 1   19    5   19 o   45.523   9.0147   21.932   8.6447 12.26593 18.02949 
1 1 1   19    5   20 o   78.783   6.2771   61.595   8.8266 5.958488 12.55421 
1 1 1   19    5   21 o   72.023   6.5747   51.439   8.1594 5.712181 13.14942 
1 1 1   19    5   24 o   71.365   7.4922   46.237   6.6923 12.18612 14.98437 
1 1 1   19    5   25 o   37.613   10.004   14.029   8.9363 13.78458 20.00720 
1 1 1   19    6    0 o   52.272   10.830   35.324   12.471 0.000000 0.000000 
1 1 1   19    6    1 o  140.625   3.9579  198.674   10.998 -2.380096 7.915775 
1 1 1   19    6    2 o  132.316   4.6511  171.792   11.524 7.876389 9.302244 
1 1 1   19    6    3 o  181.133   3.6961  328.631   13.252 0.4383392 7.392174 
1 1 1   19    6    4 o  210.778   4.3525  446.979   18.115 -4.303421 8.705009 
1 1 1   19    6    5 o  144.559   4.0920  210.984   11.281 -3.418060 8.183993 
1 1 1   19    6    6 o  195.349   4.0051  386.063   14.951 -6.203506 8.010193 
1 1 1   19    6    7 o  239.372   5.0258  574.486   24.041 7.912918 10.05163 
1 1 1   19    6    8 o   61.447   7.0978   40.408   8.0187 -32.52704 14.19562 
1 1 1   19    6    9 o  155.341   3.3298  241.180   10.328 -12.03615 6.659651 
1 1 1   19    6   10 o   47.677   8.1423   24.734   8.1368 -18.85232 16.28459 
1 1 1   19    6   11 o   52.518   7.6749   29.717   7.6436 -9.189857 15.34983 
1 1 1   19    6   12 f  106.913   4.0829  116.676   8.3455 -6.121918 8.165883 
1 1 1   19    6   13 o  186.454   3.5802  351.919   13.204 -11.73428 7.160427 
1 1 1   19    6   14 o  129.292   3.7172  170.127   9.0478 -5.026726 7.434483 
1 1 1   19    6   15 o  130.770   4.7464  147.774   11.374 48.34744 9.492900 
1 1 1   19    6   16 o  221.262   3.6032  497.593   15.369 -7.810287 7.206475 
1 1 1   19    6   17 o   93.428   4.7622   90.890   8.5048 -10.14422 9.524423 
1 1 1   19    6   18 o  125.156   4.2828  164.178   9.8336 -12.33306 8.565611 
1 1 1   19    6   19 o  135.516   4.1371  184.903   10.480 2.173996 8.274270 
1 1 1   19    6   20 o   41.048   10.510   14.817   9.3104 10.46634 21.02081 
1 1 1   19    6   21 o   82.268   6.5681   73.397   9.9863 -8.691154 13.13613 
1 1 1   19    6   22 o   29.529   13.071  -3.8431   15.292      ?      ? 
1 1 1   19    6   23 o   89.596   5.4072   81.259   7.8340 2.100281 10.81435 
1 1 1   19    6   24 o   27.195   9.2060  -1.5558   5.6791 17.91257 18.41199 
1 1 1   19    6   25 o  119.153   13.081  147.883   31.172      ?      ? 
1 1 1   19    7    0 o   42.877   14.834   27.342   14.577 0.000000 0.000000 
1 1 1   19    7    1 o  256.454   4.3421  658.950   22.255 -8.332306 8.684142 
1 1 1   19    7    2 o  247.150   4.0046  612.024   19.625 -1.163177 8.009131 
1 1 1   19    7    3 o  189.393   5.7752  359.645   21.876      ?      ? 
1 1 1   19    7    4 o  212.149   4.4990  444.263   18.652 -15.21672 8.997978 
1 1 1   19    7    5 o  157.706   3.9748  249.824   12.505 -4.022858 7.949599 
1 1 1   19    7    6 o  105.195   5.2373  111.336   11.014 3.683327 10.47456 
1 1 1   19    7    7 o  102.207   4.2330  104.863   8.6332 -9.340050 8.465921 
1 1 1   19    7    8 o  253.058   3.9757  643.217   19.894 0.5205688 7.951303 
1 1 1   19    7    9 o  116.734   4.1634  137.574   9.5672 3.494827 8.326753 
1 1 1   19    7   10 o  129.516   3.5598  168.389   9.2171 -4.794426 7.119510 
1 1 1   19    7   11 o  193.159   3.5505  373.870   13.497 2.499878 7.101019 
1 1 1   19    7   12 o  165.251   3.2584  274.035   10.769 -0.8224792 6.516823 
1 1 1   19    7   13 o   23.050   7.3714  -7.9105   7.5804 7.307552 14.74280 
1 1 1   19    7   14 f  135.843   6.7509  186.214   18.341      ?      ? 
1 1 1   19    7   15 o   65.326   6.3016   43.960   7.9727 -2.000801 12.60329 
1 1 1   19    7   16 o  162.661   3.7463  266.969   12.136 0.1321259 7.492573 
1 1 1   19    7   17 o   57.968   7.2991   35.408   7.9001 -1.403454 14.59814 
1 1 1   19    7   18 o   67.035   7.3720   44.439   8.4388 7.258938 14.74396 
1 1 1   19    7   19 o  193.364   3.5914  380.530   13.634 -5.989868 7.182839 
1 1 1   19    7   20 o   23.479   7.6957 -10.0388   8.8982 -5.144405 15.39137 
1 1 1   19    7   22 o   88.067   5.4577   78.563   9.4161 9.017479 10.91532 
1 1 1   19    7   23 o   49.866   7.6459   21.680   6.1410 20.21109 15.29187 
1 1 1   19    7   24 o   12.551   6.2874 -19.4735   6.8410      ?      ? 
1 1 1   19    8    0 o   39.707   12.467   22.701   11.653 0.000000 0.000000 
1 1 1   19    8    1 o   44.954   8.6226   21.458   8.8008 21.90368 17.24529 
1 1 1   19    8    2 o  238.372   3.5981  569.668   17.147 4.073166 7.196273 
1 1 1   19    8    3 o  139.386   4.2748  194.589   11.898 10.16078 8.549540 
1 1 1   19    8    4 o  164.269   3.6381  270.008   11.785 2.644608 7.276207 
1 1 1   19    8    5 o  326.629   4.7143  1072.71   30.458 -1.033875 9.428657 
1 1 1   19    8    6 o   76.028   5.2622   58.388   7.9630 8.948341 10.52447 
1 1 1   19    8    7 o   91.784   4.6824   84.983   8.5533 -2.780457 9.364745 
1 1 1   19    8    8 o  134.247   3.4712  180.943   9.3196 -0.5977020 6.942484 
1 1 1   19    8    9 o  255.120   3.6714  653.932   18.732 1.633316 7.342787 
1 1 1   19    8   10 o  243.236   3.8870  594.872   18.714 0.9005890 7.774029 
1 1 1   19    8   11 o  183.337   3.3247  337.597   12.188 1.244507 6.649424 
1 1 1   19    8   12 o  101.059   5.6872  106.061   10.893 39.81478 11.37437 
1 1 1   19    8   13 o   82.396   6.1706   71.456   9.3037 -7.275116 12.34125 
1 1 1   19    8   14 o   75.555   5.3931   57.937   8.1409 -3.572815 10.78629 
1 1 1   19    8   15 o  120.099   3.8668  145.775   9.1888 0.1851959 7.733547 
1 1 1   19    8   16 o  100.636   4.2803  103.603   8.4090 -4.994827 8.560534 
1 1 1   19    8   17 o  128.853   4.3978  167.740   9.5379 0.3948059 8.795683 
1 1 1   19    8   18 o   89.460   4.6414   80.097   7.6015 3.814407 9.282809 
1 1 1   19    8   19 o  108.093   4.9540  107.025   9.5506 24.13252 9.908079 
1 1 1   19    8   20 o  245.927   7.5092  614.087   36.934      ?      ? 
1 1 1   19    8   21 o   55.693   7.9974   33.567   8.7458 15.80518 15.99479 
1 1 1   19    8   22 o   70.146   7.1419   54.658   8.0442 -6.457878 14.28375 
1 1 1   19    8   23 o   45.439   10.110   21.102   8.9387 9.492134 20.22062 
1 1 1   19    9    0 o  138.397   5.1182  193.540   14.071 0.000000 0.000000 
1 1 1   19    9    1 o   91.111   5.1579   85.519   9.0651 -9.007805 10.31580 
1 1 1   19    9    2 o   60.218   7.5098   38.854   8.5190 -11.85484 15.01952 
1 1 1   19    9    3 o  148.636   3.3959  221.753   10.094 -2.354004 6.791852 
1 1 1   19    9    4 o   97.984   4.5836   95.965   8.8287 3.764557 9.167224 
1 1 1   19    9    5 o   44.787   8.1617   21.085   7.5568 14.39476 16.32336 
1 1 1   19    9    6 o   85.222   4.8593   73.638   8.2287 6.029343 9.718522 
1 1 1   19    9    7 o   63.194   6.0301   40.556   7.5732 8.489552 12.06012 
1 1 1   19    9    8 o   45.629   10.350   18.631   12.510 -24.22083 20.69937 
1 1 1   19    9    9 o  145.544   5.1126  202.663   14.429 48.48287 10.22515 
1 1 1   19    9   10 o  294.410   4.0821  872.554   24.036 -0.5639343 8.164149 
1 1 1   19    9   11 o   93.786   5.7361   89.378   9.8628 -0.1359406 11.47223 
1 1 1   19    9   12 o  162.530   4.1419  268.924   12.691 4.539917 8.283771 
1 1 1   19    9   13 o  155.825   3.8295  245.345   11.900 -0.5531464 7.658921 
1 1 1   19    9   14 o   40.144   8.6364   17.555   7.7883 -9.305996 17.27275 
1 1 1   19    9   15 o  100.589   4.2487  102.390   8.3573 1.186523 8.497453 
1 1 1   19    9   16 o   63.904   5.5839   41.938   7.1169 1.055096 11.16779 
1 1 1   19    9   17 o  110.140   4.0654  123.060   8.8760 -4.029152 8.130760 
1 1 1   19    9   18 o   30.002   9.0670  -0.0158   9.6570 -4.319975 18.13399 
1 1 1   19    9   19 o   22.501   7.4793  -7.5529   8.1713 3.260073 14.95864 
1 1 1   19    9   20 o   76.126   5.5891   61.743   7.5163 -4.779808 11.17815 
1 1 1   19    9   21 o   80.754   5.2935   62.854   7.1495 9.623985 10.58696 
1 1 1   19    9   22 o   34.823   9.6681   8.2131   8.3236 8.430168 19.33619 
1 1 1   19   10    0 o  222.042   6.1796  503.991   25.619 0.000000 0.000000 
1 1 1   19   10    1 o   37.659   8.8285   13.997   7.7418 0.2105751 17.65703 
1 1 1   19   10    2 o  105.024   4.3251  111.364   9.0345 -2.327042 8.650213 
1 1 1   19   10    3 o   79.288   5.5828   63.654   8.7042 0.2778625E-01 11.16555 
1 1 1   19   10    4 o   17.153   5.9953 -24.8627   7.5939 -3.141567 11.99052 
1 1 1   19   10    5 o   66.483   7.2210   48.026   8.8439 -24.25516 14.44202 
1 1 1   19   10    6 o  164.464   3.7382  269.938   12.251 14.00877 7.476352 
1 1 1   19   10    7 o   84.514   4.8714   72.206   8.2290 0.4017334 9.742817 
1 1 1   19   10    8 o  139.531   3.5517  194.453   9.8215 8.544678 7.103498 
1 1 1   19   10    9 o   61.028   6.3204   39.147   7.3293 -16.87126 12.64087 
1 1 1   19   10   10 o  213.513   3.6543  457.050   15.383 -6.970673 7.308673 
1 1 1   19   10   11 o   33.351   8.5888   8.0128   7.8087 -13.35819 17.17755 
1 1 1   19   10   12 o   45.055   8.5813   19.199   8.0345 22.53625 17.16250 
1 1 1   19   10   13 o   79.985   6.2502   64.636   9.8586 -10.12411 12.50047 
1 1 1   19   10   14 o   40.709   9.4423   16.104   8.5654 -11.08866 18.88465 
1 1 1   19   10   15 o   91.083   5.4296   84.459   9.7698 6.959572 10.85924 
1 1 1   19   10   16 o  109.802   5.0438  113.173   10.025 19.58550 10.08761 
1 1 1   19   10   18 o   62.089   6.1094   40.687   7.5037 -7.467236 12.21880 
1 1 1   19   10   19 f   48.262   8.6782   25.749   8.1087 5.606579 17.35632 
1 1 1   19   10   20 o   86.491   4.9296   75.974   8.2934 19.10596 9.859232 
1 1 1   19   10   21 o   91.051   6.3214   84.382   11.492 7.204597 12.64274 
1 1 1   19   11    0 o   31.294   11.784   14.340   10.193 0.000000 0.000000 
1 1 1   19   11    1 o  144.985   3.3429  211.182   9.6800 -5.612000 6.685739 
1 1 1   19   11    2 f   30.765   8.5366   5.9629   7.8840 4.827946 17.07318 
1 1 1   19   11    3 o  142.781   3.7251  203.931   10.375 -4.860413 7.450149 
1 1 1   19   11    4 o   70.895   5.3855   50.839   7.5636 -13.64847 10.77093 
1 1 1   19   11    5 o  112.398   4.3908  127.443   9.8475 3.801712 8.781580 
1 1 1   19   11    6 o   75.519   5.2693   57.534   7.8832 -4.367271 10.53853 
1 1 1   19   11    7 o   90.457   5.3680   84.586   8.9583 3.995613 10.73592 
1 1 1   19   11    8 o  132.175   4.1988  173.738   10.535 -6.947906 8.397644 
1 1 1   19   11    9 o   50.620   8.2576   28.117   8.2032 6.762138 16.51517 
1 1 1   19   11   10 o   71.908   5.8416   53.498   8.3140 4.449844 11.68328 
1 1 1   19   11   11 o   57.693   9.2165   40.013   9.4214 -15.23703 18.43290 
1 1 1   19   11   12 o   90.877   4.5153   84.259   8.1466 -0.6349182 9.030540 
1 1 1   19   11   13 o   32.629   8.8130   8.6682   8.2762 6.437479 17.62590 
1 1 1   19   11   14 o   19.717   6.9117 -31.7877   9.5337 7.432161 13.82337 
1 1 1   19   11   15 o  158.728   7.6083  255.064   24.153      ?      ? 
1 1 1   19   11   16 o   64.586   8.3960   46.953   10.429 4.483799 16.79196 
1 1 1   19   11   17 o   81.906   7.0322   71.794   10.268 -2.365623 14.06444 
1 1 1   19   11   18 o   64.522   7.4106   45.919   9.2236 -6.303841 14.82120 
1 1 1   19   11   19 o   18.363   6.4381 -27.0436   8.6564 -2.545300 12.87617 
1 1 1   19   12    0 o   89.495   6.3765   83.647   11.202 0.000000 0.000000 
1 1 1   19   12    1 o   31.227   8.3247   7.8928   7.0910 0.2780209 16.64943 
1 1 1   19   12    2 o  123.041   3.5627  152.816   8.7582 7.061722 7.125377 
1 1 1   19   12    3 o   75.942   5.0588   58.986   7.6336 -9.878098 10.11757 
1 1 1   19   12    4 o  169.105   3.7533  288.433   12.681 6.565582 7.506533 
1 1 1   19   12    5 o   86.291   5.4679   76.599   9.3827 7.780746 10.93582 
1 1 1   19   12    6 f   88.392   5.8626   77.440   10.172 19.26221 11.72517 
1 1 1   19   12    7 o   79.130   6.5474   62.831   9.6262 5.996147 13.09477 
1 1 1   19   12    8 o   87.545   9.6223   76.591   11.093 4.941055 19.24463 
1 1 1   19   12    9 o   74.054   7.3032   57.864   10.794 4.666855 14.60631 
1 1 1   19   12   10 o   41.099   9.0389   18.753   8.2238 3.012280 18.07779 
1 1 1   19   12   11 o  114.510   4.6719  133.552   10.399 -0.7876129 9.343814 
1 1 1   19   12   12 o  203.085   6.7656  415.818   27.480      ?      ? 
1 1 1   19   12   14 o   88.746   4.7023   80.186   8.3014 6.352654 9.404536 
1 1 1   19   12   15 o   73.716   5.7007   56.887   8.2170 -1.099419 11.40134 
1 1 1   19   12   16 o   73.932   5.8015   57.375   8.5724 2.259644 11.60302 
1 1 1   19   12   17 o   24.443   8.0091  -8.2613   9.0587 -3.097885 16.01818 
1 1 1   19   12   18 o   67.232   9.6136   63.506   11.376 27.61580 19.22713 
1 1 1   19   13    0 f   46.720   12.009   30.488   10.383 0.000000 0.000000 
1 1 1   19   13    1 o   88.750   4.3299   80.234   7.6819 2.976166 8.659790 
1 1 1   19   13    2 o   74.102   4.8699   56.350   7.1649 11.12008 9.739894 
1 1 1   19   13    3 o   82.194   4.9397   69.622   7.9611 2.988235 9.879392 
1 1 1   19   13    4 o  103.668   4.3039  108.414   8.7816 -5.576004 8.607869 
1 1 1   19   13    5 o   33.685   8.4364   11.282   7.1312 0.6389923 16.87271 
1 1 1   19   13    6 o   68.587   6.1405   50.297   8.1963 -5.208664 12.28106 
1 1 1   19   13    8 o  130.659   8.3204  173.044   21.743      ?      ? 
1 1 1   19   13    9 o   84.940   8.9617   84.682   13.730 -84.94296 17.92348 
1 1 1   19   13   10 o   22.267   7.5261 -10.1727   9.2175 1.542410 15.05210 
1 1 1   19   13   11 o   43.531   8.9674   21.706   8.5542 10.58527 17.93483 
1 1 1   19   13   12 o   55.778   7.4324   34.621   8.0226 -9.738388 14.86481 
1 1 1   19   13   13 f   94.694   5.0113   90.215   9.2253 12.34567 10.02261 
1 1 1   19   13   14 o   26.461   8.0371   6.2974   7.7523 -3.356815 16.07416 
1 1 1   19   13   15 o   95.751   5.1169   92.360   9.5927 2.308769 10.23379 
1 1 1   19   14    0 o   58.862   14.410   46.287   15.332 0.000000 0.000000 
1 1 1   19   14    1 o   24.590   11.584 -15.9761   14.930      ?      ? 
1 1 1   19   14    2 o   33.020   9.4742   4.6936   10.095 -6.280640 18.94844 
1 1 1   19   14    3 o   28.103   8.4782   0.9669   8.3305 4.255953 16.95644 
1 1 1   19   14    5 o   54.364   7.4192   34.725   7.8011 13.62997 14.83833 
1 1 1   19   14    6 o   35.576   8.5837   13.098   7.3640 -3.955471 17.16739 
1 1 1   19   14    7 o   51.420   7.7402   29.552   7.7142 3.119820 15.48040 
1 1 1   19   14    8 o   38.751   8.8406   16.301   7.9659 -9.527458 17.68121 
1 1 1   19   14    9 o   62.280   9.7069   41.621   13.299 47.82468 19.41371 
1 1 1   19   14   10 o   37.378   9.3432   12.723   8.8386 -14.88170 18.68641 
1 1 1   19   14   12 o   72.543   7.0197   52.515   10.036 11.04676 14.03938 
1 1 1   19   14   13 o   36.401   9.8826   18.905   10.211 -4.331879 19.76517 
1 1 1   19   15    0 o   26.300   11.692   5.2994   13.727 0.000000 0.000000 
1 1 1   19   15    1 o   62.582   7.8843   45.534   9.2512 -17.98409 15.76862 
1 1 1   19   15    2 o   35.267   9.4289   12.150   9.1368 -2.280128 18.85783 
1 1 1   19   15    3 o   30.498   8.5851   6.2305   8.0275 -6.953125 17.17012 
1 1 1   19   15    4 o   67.976   6.0981   48.829   8.2611 -0.8305054 12.19627 
1 1 1   19   15    5 o   51.890   7.8668   31.851   8.1137 -17.50571 15.73360 
1 1 1   19   15    8 o   91.011   9.5840   80.483   16.330 -35.70141 19.16801 
1 1 1   19   15    9 f   85.098   6.0493   80.159   10.283 -2.741440 12.09864 
1 1 1   20    0    0 o  878.832   31.253  7842.31  547.807 0.000000 0.000000 
1 1 1   20    0    1 o   18.435   8.7689 -16.5275   9.9109 0.000000 0.000000 
1 1 1   20    0    2 o   40.319   10.602   21.844   9.7566 0.000000 0.000000 
1 1 1   20    0    4 o  252.524   7.1284  640.963   35.817 0.000000 0.000000 
1 1 1   20    0    5 o  152.339   6.3845  234.861   19.303 0.000000 0.000000 
1 1 1   20    0    6 o  528.107   11.527  2855.30  116.948 0.000000 0.000000 
1 1 1   20    0    7 o  244.559   6.1543  610.346   29.143 0.000000 0.000000 
1 1 1   20    0    8 o   51.665   13.405   30.754   15.413 0.000000 0.000000 
1 1 1   20    0    9 o  309.304   8.3815  961.334   51.765 0.000000 0.000000 
1 1 1   20    0   10 o  184.732   6.6753  343.256   24.592 0.000000 0.000000 
1 1 1   20    0   11 o  291.432   8.1112  853.498   47.196 0.000000 0.000000 
1 1 1   20    0   12 o  281.816   6.3290  806.542   31.542 0.000000 0.000000 
1 1 1   20    0   13 o  204.340   5.3960  422.304   19.574 0.000000 0.000000 
1 1 1   20    0   14 o   24.020   11.076   0.2745   12.139 0.000000 0.000000 
1 1 1   20    0   15 o  204.963   5.7213  426.898   22.326 0.000000 0.000000 
1 1 1   20    0   16 o  205.983   5.6755  432.408   22.371 0.000000 0.000000 
1 1 1   20    0   17 o  235.656   5.7033  569.796   24.262 0.000000 0.000000 
1 1 1   20    0   18 o  165.726   5.2518  274.259   15.472 0.000000 0.000000 
1 1 1   20    0   19 o  156.931   5.1459  255.795   14.536 0.000000 0.000000 
1 1 1   20    0   20 o   41.416   11.930   25.922   10.096 0.000000 0.000000 
1 1 1   20    0   21 o   15.439   7.8388 -16.7489   9.8548 0.000000 0.000000 
1 1 1   20    0   22 o   35.439   13.422   19.384   13.257 0.000000 0.000000 
1 1 1   20    0   23 o  118.834   6.9124  154.044   15.163 0.000000 0.000000 
1 1 1   20    0   24 o   16.882   8.4990 -17.7094   11.904 0.000000 0.000000 
1 1 1   20    0   25 o   68.567   8.6436   52.770   10.604 0.000000 0.000000 
1 1 1   20    0   26 o   54.017   11.315   56.565   10.678 0.000000 0.000000 
1 1 1   20    1    0 o  160.133   5.2237  247.198   14.316 0.000000 0.000000 
1 1 1   20    1    1 o  202.237   4.0266  414.907   15.493 8.862381 8.053230 
1 1 1   20    1    2 o  343.788   5.1987  1184.72   35.741 3.652069 10.39735 
1 1 1   20    1    3 o  121.407   4.1550  131.434   9.1232 -30.58053 8.309998 
1 1 1   20    1    4 o  507.369   9.0782  2591.21   91.992 -16.05991 18.15638 
1 1 1   20    1    5 o  258.815   3.8145  666.101   18.990 -6.618118 7.628910 
1 1 1   20    1    6 o  180.329   3.9822  328.175   13.562 4.122009 7.964499 
1 1 1   20    1    7 o  246.845   7.2656  611.436   35.870      ?      ? 
1 1 1   20    1    8 o   66.955   7.1728   46.649   9.1526 -15.81280 14.34561 
1 1 1   20    1    9 o  364.454   6.1532  1334.10   43.807 2.121521 12.30644 
1 1 1   20    1   10 o  221.390   3.9663  491.473   17.561 0.7487793 7.932520 
1 1 1   20    1   11 o  149.250   6.9354  223.609   20.702      ?      ? 
1 1 1   20    1   12 o  187.817   4.0764  357.699   14.610 6.903381 8.152758 
1 1 1   20    1   13 o  184.798   4.0366  327.089   13.631 -20.22623 8.073233 
1 1 1   20    1   14 o  187.364   3.8111  352.193   14.263 13.43556 7.622291 
1 1 1   20    1   15 o  191.115   3.5861  367.236   13.510 1.120667 7.172207 
1 1 1   20    1   16 o  172.773   3.2908  299.679   11.370 1.820786 6.581660 
1 1 1   20    1   17 o  175.653   4.2280  308.338   14.551 5.598495 8.455971 
1 1 1   20    1   18 o  129.081   4.3242  170.848   10.561 -6.276146 8.648356 
1 1 1   20    1   19 o  152.263   4.0644  233.263   12.016 -2.443619 8.128800 
1 1 1   20    1   20 o   61.927   6.0485   39.399   7.4655 6.500206 12.09692 
1 1 1   20    1   21 o   47.371   8.7906   24.586   8.2442 0.9708252 17.58119 
1 1 1   20    1   22 o   20.730   7.0308 -17.6662   8.7095 3.627817 14.06159 
1 1 1   20    1   23 o   45.216   14.197   21.248   14.278      ?      ? 
1 1 1   20    1   24 o   37.783   8.8970   16.366   8.1467 -8.241749 17.79397 
1 1 1   20    1   25 o   42.098   8.4447   20.380   7.6077 9.115459 16.88934 
1 1 1   20    2    0 o  725.730   15.137  5203.00  183.020 0.000000 0.000000 
1 1 1   20    2    1 o  192.594   3.9204  370.621   15.075 7.228851 7.840862 
1 1 1   20    2    2 o  360.249   6.6405  1302.71   47.828 -7.469452 13.28094 
1 1 1   20    2    3 o  445.557   8.0655  1913.02   69.524 -72.22644 16.13096 
1 1 1   20    2    4 o   73.067   7.7800   52.562   10.489 -74.94351 15.55992 
1 1 1   20    2    5 o   71.216   6.7257   49.895   9.4685 -10.56147 13.45130 
1 1 1   20    2    6 f  230.522   4.5621  528.299   20.368 7.563675 9.124160 
1 1 1   20    2    7 o  281.699   5.5350  782.980   30.824 31.04785 11.06995 
1 1 1   20    2    8 o  330.013   4.7245  1090.98   30.818 -2.998749 9.448997 
1 1 1   20    2    9 o  147.624   4.1092  217.874   11.311 1.117889 8.218311 
1 1 1   20    2   10 o  199.690   4.3721  394.977   17.145 -12.58189 8.744229 
1 1 1   20    2   12 o  213.904   3.6790  455.193   15.464 -9.065231 7.358076 
1 1 1   20    2   13 o  253.719   3.6705  645.956   18.622 -3.085892 7.340961 
1 1 1   20    2   14 o  161.471   3.5387  262.473   11.348 -4.557648 7.077394 
1 1 1   20    2   15 o  286.835   4.2733  829.345   24.338 -4.175720 8.546653 
1 1 1   20    2   16 o  142.494   4.4927  205.845   12.389 3.488083 8.985435 
1 1 1   20    2   17 o  203.072   4.8711  414.201   19.784      ?      ? 
1 1 1   20    2   18 o   79.725   5.0106   66.261   7.7241 -10.90431 10.02119 
1 1 1   20    2   19 o   96.989   4.3670   95.467   8.4535 -3.321144 8.733954 
1 1 1   20    2   20 o   42.082   8.7529   19.068   8.0143 8.839458 17.50577 
1 1 1   20    2   21 o   26.571   8.3703  -3.5156   8.9519 2.168821 16.74062 
1 1 1   20    2   22 o  120.990   4.6816  149.916   11.253 -3.018410 9.363210 
1 1 1   20    2   23 o  224.496   8.5967  510.548   38.598      ?      ? 
1 1 1   20    2   24 o   68.841   6.0294   49.505   8.2883 2.547104 12.05873 
1 1 1   20    2   25 o   66.410   6.2192   46.915   8.2424 3.408066 12.43833 
1 1 1   20    2   26 o   19.729   6.7663 -17.6010   8.0089 2.972027 13.53269 
1 1 1   20    3    0 o  239.389   5.9123  574.681   28.269 0.000000 0.000000 
1 1 1   20    3    1 o  302.539   4.1303  916.018   24.965 7.089203 8.260558 
1 1 1   20    3    2 o  264.542   4.0441  701.209   21.213 0.1841736 8.088121 
1 1 1   20    3    3 o  386.073   4.9999  1494.83   38.601 -4.300354 9.999789 
1 1 1   20    3    4 o  283.423   4.5631  804.420   25.841 7.702728 9.126284 
1 1 1   20    3    5 o  197.139   4.8396  386.877   19.008 -21.38654 9.679111 
1 1 1   20    3    6 o  360.818   5.4490  1306.97   39.320 1.652039 10.89797 
1 1 1   20    3    7 o  167.856   4.0149  275.606   12.494 10.41449 8.029760 
1 1 1   20    3    8 o  192.553   5.3654  398.858   16.966 -25.24844 10.73072 
1 1 1   20    3    9 o   36.914   10.602   3.9793   9.1848 19.50349 21.20323 
1 1 1   20    3   10 o  172.967   3.9507  299.954   13.666 -2.816193 7.901488 
1 1 1   20    3   11 o  215.557   3.6736  467.670   15.691 -6.022171 7.347255 
1 1 1   20    3   12 o  170.723   3.3783  294.160   11.138 -4.350708 6.756555 
1 1 1   20    3   13 o  131.367   3.6867  172.696   9.2385 1.145691 7.373322 
1 1 1   20    3   14 o  218.158   3.5265  482.105   14.944 -8.553940 7.053056 
1 1 1   20    3   15 o  294.434   4.1816  876.856   23.931 -7.799103 8.363256 
1 1 1   20    3   16 o   57.448   8.5859   39.505   8.1211 -16.48970 17.17186 
1 1 1   20    3   17 o  122.891   4.5488  152.403   9.6638 -0.3366165 9.097574 
1 1 1   20    3   18 o  112.180   4.8367  127.223   9.8733 0.1046448 9.673427 
1 1 1   20    3   19 o  129.755   4.4735  176.001   9.4352 -8.062019 8.946980 
1 1 1   20    3   20 o   47.399   9.0285   27.002   8.5721 -14.85337 18.05706 
1 1 1   20    3   21 o   76.519   7.4990   60.788   7.8132 -0.9271774 14.99808 
1 1 1   20    3   22 o   58.198   10.343   49.699   9.8735 -27.86075 20.68544 
1 1 1   20    3   23 o   21.551   10.547 -28.1870   15.258      ?      ? 
1 1 1   20    3   24 o   44.533   10.089   22.456   8.8642 -0.9361572 20.17737 
1 1 1   20    3   25 f   37.000   9.6291   9.1580   7.3203 19.84021 19.25813 
1 1 1   20    3   26 o  204.412   6.9508  422.975   28.416      ?      ? 
1 1 1   20    4    0 o  159.086   4.9493  254.906   15.664 0.000000 0.000000 
1 1 1   20    4    1 o  301.819   5.3448  912.759   31.532 2.235962 10.68950 
1 1 1   20    4    2 o  146.736   4.0412  215.063   11.836 12.63620 8.082438 
1 1 1   20    4    3 o  519.264   7.0979  2720.64   73.209 -11.57916 14.19576 
1 1 1   20    4    4 o   86.861   8.0999   81.452   12.265 -99.89502 16.19976 
1 1 1   20    4    5 o  278.592   4.2075  774.220   23.061 7.333557 8.414954 
1 1 1   20    4    6 o  162.304   4.1663  263.783   13.524      ?      ? 
1 1 1   20    4    7 o  152.443   6.3929  269.690   16.260 -50.46918 12.78581 
1 1 1   20    4    8 o   27.124   8.6673  -6.2313   9.5635 1.797413 17.33469 
1 1 1   20    4    9 o  268.182   3.9338  722.809   20.464 -2.845337 7.867513 
1 1 1   20    4   10 o  202.067   3.5989  409.904   14.401 -1.577499 7.197714 
1 1 1   20    4   11 o  132.087   3.7725  176.059   9.8350 -4.839539 7.545032 
1 1 1   20    4   12 o   97.231   4.4424   96.232   8.2152 -4.257782 8.884716 
1 1 1   20    4   13 o   34.159   8.7566   9.5297   7.4513 6.093782 17.51310 
1 1 1   20    4   14 o  111.499   3.9800  126.175   8.4718 -3.885216 7.960057 
1 1 1   20    4   15 o   80.347   5.2566   64.855   8.1667 1.894936 10.51330 
1 1 1   20    4   16 o   92.115   6.8884   85.783   12.517 3.761566 13.77684 
1 1 1   20    4   17 o  122.323   3.7255  148.718   8.7521 5.872543 7.450934 
1 1 1   20    4   18 o  122.589   3.8018  152.454   8.8937 -2.259895 7.603540 
1 1 1   20    4   19 f   25.759   7.8332  -1.2965   7.7546 -5.434673 15.66640 
1 1 1   20    4   20 o  115.915   7.0702  147.491   9.2144 -11.65165 14.14041 
1 1 1   20    4   21 o   76.149   10.735   82.941   8.7331 -32.24744 21.46926 
1 1 1   20    4   22 o  148.822   7.5606  237.741   21.206 -52.89746 15.12114 
1 1 1   20    4   23 o   28.350   8.4543   4.5652   8.0590 -3.943483 16.90859 
1 1 1   20    4   24 o  160.853   4.4039  247.497   10.853 14.86473 8.807751 
1 1 1   20    5    0 o   46.074   11.658   12.563   14.205 0.000000 0.000000 
1 1 1   20    5    1 o   27.402   8.5244  -3.2698   8.9345 2.057669 17.04880 
1 1 1   20    5    2 o  307.084   4.5250  943.329   27.391 4.654449 9.050087 
1 1 1   20    5    3 o   91.512   5.7035   79.472   10.069 19.09875 11.40710 
1 1 1   20    5    4 o  181.386   3.8767  327.935   14.016 12.66017 7.753353 
1 1 1   20    5    5 o  202.968   3.6699  413.401   14.670 -1.420135 7.339809 
1 1 1   20    5    6 o  222.531   4.3983  505.004   18.498 -11.97873 8.796575 
1 1 1   20    5    7 o  139.297   5.0887  203.137   13.040 -68.19717 10.17733 
1 1 1   20    5    8 o  201.351   3.6387  407.915   14.561 -7.106842 7.277431 
1 1 1   20    5    9 o   27.645   8.1827   1.4203   7.6090 -1.885714 16.36531 
1 1 1   20    5   10 o   53.967   7.5797   30.763   7.6757 -5.173145 15.15948 
1 1 1   20    5   11 o   28.297   8.3611   0.9986   8.1676 -4.768839 16.72210 
1 1 1   20    5   12 o   67.895   5.9974   45.478   7.8050 5.568314 11.99482 
1 1 1   20    5   13 o   89.028   4.6889   81.674   7.9131 -7.131546 9.377796 
1 1 1   20    5   14 o  195.873   3.6164  387.771   14.040 -8.789520 7.232868 
1 1 1   20    5   15 o  112.008   7.4801  126.746   16.757      ?      ? 
1 1 1   20    5   16 o   23.210   7.4886  -5.8226   7.3696 3.969212 14.97723 
1 1 1   20    5   17 o  130.841   3.7361  172.579   9.5141 0.2463074 7.472157 
1 1 1   20    5   18 o   70.137   5.9364   51.592   7.9156 -6.361649 11.87279 
1 1 1   20    5   19 o  192.553   3.4657  376.921   12.682 -4.560593 6.931363 
1 1 1   20    5   20 f   50.722   8.1511   36.057   7.8004 -28.80458 16.30227 
1 1 1   20    5   21 o   28.289   9.3835 -19.8072   13.599 -9.214327 18.76703 
1 1 1   20    5   22 o   92.273   7.8398   87.370   14.468      ?      ? 
1 1 1   20    5   23 o   60.891   9.0722   37.941   7.6295 3.290562 18.14436 
1 1 1   20    5   24 o   56.892   8.2607   27.454   6.5251 17.14881 16.52147 
1 1 1   20    6    0 o  135.193   7.9328  187.264   20.708 0.000000 0.000000 
1 1 1   20    6    1 o  122.123   4.7182  148.907   11.469 16.86674 9.436450 
1 1 1   20    6    2 o  185.022   4.0785  342.874   15.082 8.838531 8.156937 
1 1 1   20    6    3 o  135.258   7.4487  183.758   20.150      ?      ? 
1 1 1   20    6    4 o  118.021   4.9917  138.953   11.599 -4.053513 9.983441 
1 1 1   20    6    5 o  117.773   4.3684  141.808   10.056 -13.15324 8.736845 
1 1 1   20    6    6 o   63.271   6.3497   40.404   8.0264 -3.435120 12.69934 
1 1 1   20    6    7 o  216.669   3.4201  470.617   14.818 -3.707870 6.840133 
1 1 1   20    6    8 o  130.479   3.6633  170.846   9.5027 -0.1579285E-01 7.326521 
1 1 1   20    6    9 o  151.100   4.2408  229.630   12.635 -0.9384918 8.481504 
1 1 1   20    6   10 o  103.643   4.7061  112.218   8.8872 -10.44738 9.412184 
1 1 1   20    6   11 o   92.839   5.4269   91.939   9.3985 -17.87732 10.85378 
1 1 1   20    6   12 o   87.024   5.5888   78.711   9.1557 -8.440399 11.17752 
1 1 1   20    6   13 o   92.952   5.5786   86.800   9.8529 1.957741 11.15712 
1 1 1   20    6   14 o  268.406   6.2330  725.881   33.459      ?      ? 
1 1 1   20    6   15 o   87.087   6.6428   72.632   8.7392 7.661613 13.28562 
1 1 1   20    6   16 o   42.174   10.014   18.187   9.9758 1.060955 20.02738 
1 1 1   20    6   17 o   91.523   4.9485   87.736   8.0971 -7.035789 9.897027 
1 1 1   20    6   18 o  132.003   5.2774  178.938   10.048 -2.796097 10.55488 
1 1 1   20    6   19 o   75.206   6.1130   57.087   7.7664 2.287941 12.22602 
1 1 1   20    6   20 o   93.687   5.5851   88.611   9.8122 7.845840 11.17024 
1 1 1   20    6   21 o  123.466   9.8169  155.385   24.241      ?      ? 
1 1 1   20    6   22 o   30.093   8.7779   4.1232   8.0777 7.470501 17.55575 
1 1 1   20    6   23 o   46.575   11.184   19.416   8.0014 13.53458 22.36755 
1 1 1   20    6   24 o   26.860   8.4956   0.5459   6.5258 9.564217 16.99123 
1 1 1   20    7    0 o  136.976   5.2421  189.875   14.256 0.000000 0.000000 
1 1 1   20    7    1 o  174.645   3.6994  307.151   12.819 6.100479 7.398854 
1 1 1   20    7    2 f  170.088   3.4523  290.033   11.743 2.631241 6.904659 
1 1 1   20    7    3 o  188.997   3.7215  358.918   13.886 -1.987732 7.442986 
1 1 1   20    7    4 o  213.076   3.7480  457.084   15.829 -5.703079 7.495949 
1 1 1   20    7    5 o  114.110   3.8798  130.715   8.8539 1.812019 7.759595 
1 1 1   20    7    6 o  124.637   3.8699  156.053   9.5788 -0.5571365 7.739799 
1 1 1   20    7    7 o  103.303   4.3392  107.141   8.9357 -1.336006 8.678332 
1 1 1   20    7    8 o  164.383   3.4919  270.184   11.409 -5.282181 6.983729 
1 1 1   20    7    9 o   87.456   4.7857   77.132   8.3550 0.4606705 9.571385 
1 1 1   20    7   10 o   50.662   8.8607   26.343   8.6748 -7.381516 17.72141 
1 1 1   20    7   11 o   91.675   4.6031   84.575   8.4217 -3.099289 9.206100 
1 1 1   20    7   12 o  170.723   4.3134  281.349   13.973 20.98743 8.626712 
1 1 1   20    7   13 o   26.677   8.3955 -14.8275   9.8294 -16.44319 16.79097 
1 1 1   20    7   14 o   62.839   7.8622   38.347   9.3101 18.62282 15.72443 
1 1 1   20    7   15 o  157.017   5.1431  239.008   14.445 -15.47348 10.28611 
1 1 1   20    7   16 o   57.875   7.3866   36.238   7.9242 -6.689430 14.77316 
1 1 1   20    7   17 o   78.134   6.4727   61.576   8.1291 1.922531 12.94531 
1 1 1   20    7   18 o   95.614   4.4362   92.012   7.8856 2.602684 8.872319 
1 1 1   20    7   19 o   87.600   5.4039   78.797   9.2616 5.448196 10.80772 
1 1 1   20    7   21 o  119.653   4.2679  142.542   9.9579 12.77351 8.535749 
1 1 1   20    7   22 o   25.388   8.4138  -4.9193   7.3545 11.88836 16.82759 
1 1 1   20    7   23 o   74.652   8.4581  105.458   12.481 7.835503 16.91623 
1 1 1   20    8    0 o  111.886   7.6656  135.089   14.674 0.000000 0.000000 
1 1 1   20    8    1 o   42.285   9.1128   18.568   8.4360 -4.524654 18.22568 
1 1 1   20    8    2 o   67.530   6.5650   47.123   8.6408 -8.458111 13.12998 
1 1 1   20    8    3 o   82.855   5.0561   69.551   8.3013 -12.99817 10.11228 
1 1 1   20    8    4 o   87.084   5.1910   75.899   8.9066 3.323402 10.38198 
1 1 1   20    8    5 o   36.232   8.9674   12.057   8.0444 1.984612 17.93487 
1 1 1   20    8    6 o   71.179   5.5462   51.568   7.8230 -10.68224 11.09234 
1 1 1   20    8    7 o   84.804   4.9325   72.145   8.3295 4.343636 9.864977 
1 1 1   20    8    8 o   72.457   5.4156   53.078   7.8382 1.874046 10.83123 
1 1 1   20    8    9 o   84.378   6.8236   69.715   10.456 -44.25105 13.64727 
1 1 1   20    8   10 o  149.756   4.3891  208.096   12.059 -28.33742 8.778120 
1 1 1   20    8   11 o  220.857   3.8063  490.348   16.649 -2.215286 7.612612 
1 1 1   20    8   12 o  157.749   3.6819  251.123   11.505 1.272278 7.363796 
1 1 1   20    8   13 o   43.979   9.1774   20.484   8.6168 6.429039 18.35478 
1 1 1   20    8   14 o  109.298   4.2026  123.146   8.9106 -9.519920 8.405150 
1 1 1   20    8   15 o  129.887   3.7510  171.378   9.5606 -3.836800 7.502075 
1 1 1   20    8   16 o   69.482   6.1897   49.898   8.5984 -2.206169 12.37937 
1 1 1   20    8   17 o  103.649   4.4611  112.515   8.9628 -15.36240 8.922236 
1 1 1   20    8   18 o   58.360   9.4160   37.510   10.503 3.435604 18.83206 
1 1 1   20    8   19 o   80.564   10.781   66.781   17.371      ?      ? 
1 1 1   20    8   20 o   60.696   7.3972   43.266   7.7808 -16.50726 14.79436 
1 1 1   20    8   21 o   33.899   9.3785   6.2649   7.9957 17.30702 18.75695 
1 1 1   20    8   22 o   22.234   7.6524   5.9130   8.9927 7.922903 15.30479 
1 1 1   20    8   23 o   49.983   8.7699   44.129   8.5961 -10.77274 17.53983 
1 1 1   20    9    0 f   17.685   9.1371 -46.3126   17.079 0.000000 0.000000 
1 1 1   20    9    1 o  165.183   3.6062  274.837   11.799 -3.785828 7.212450 
1 1 1   20    9    2 o   97.870   4.7648   94.005   9.1630 13.06866 9.529545 
1 1 1   20    9    3 o   65.437   6.1134   43.306   7.9971 1.924950 12.22688 
1 1 1   20    9    4 o  141.698   3.4717  201.713   9.8349 -4.154419 6.943429 
1 1 1   20    9    5 o   80.055   5.1025   64.814   8.1639 -1.866768 10.20497 
1 1 1   20    9    6 o  127.625   4.0673  163.855   10.280 -0.3178253 8.134502 
1 1 1   20    9    7 o  231.986   4.7145  515.156   20.446 31.11400 9.429000 
1 1 1   20    9    8 o   51.248   9.8635   21.430   12.745 39.81937 19.72710 
1 1 1   20    9    9 o  193.367   3.6235  379.502   13.905 -15.72395 7.246904 
1 1 1   20    9   10 o  156.160   3.3034  245.382   10.315 -4.057510 6.606775 
1 1 1   20    9   11 o   46.395   8.6497   23.518   8.1403 3.713303 17.29938 
1 1 1   20    9   12 o  156.357   3.3223  246.008   10.374 4.584000 6.644631 
1 1 1   20    9   13 o   97.082   6.0171   96.793   11.680 -0.2093887 12.03421 
1 1 1   20    9   14 o   98.266   4.9625   98.842   9.7050 -2.647972 9.924913 
1 1 1   20    9   15 o   61.653   7.4197   40.496   8.9109 8.956669 14.83941 
1 1 1   20    9   16 o   47.148   7.7429   25.261   7.2290 -11.20547 15.48576 
1 1 1   20    9   17 o  122.221   4.7924  153.961   11.445 -16.58305 9.584702 
1 1 1   20    9   18 o   73.613   6.1674   59.866   9.0712 -4.562119 12.33472 
1 1 1   20    9   19 o   57.961   8.5910   39.947   8.2648 -10.80181 17.18193 
1 1 1   20    9   20 o   60.993   7.7179   28.280   7.7096 39.21640 15.43577 
1 1 1   20    9   21 f   36.689   8.6709  -7.0268   7.3465 42.75711 17.34176 
1 1 1   20   10    0 o  160.006   4.7833  257.426   15.217 0.000000 0.000000 
1 1 1   20   10    1 o  106.484   5.4461  116.335   11.420 -13.51996 10.89217 
1 1 1   20   10    2 o  129.451   4.3469  170.325   11.087 26.25957 8.693846 
1 1 1   20   10    3 o   93.710   5.5327   89.029   10.239 19.62516 11.06534 
1 1 1   20   10    4 o   72.422   6.2485   54.220   8.7461 -4.635399 12.49705 
1 1 1   20   10    5 o   79.163   5.1175   63.937   8.0568 -8.863777 10.23502 
1 1 1   20   10    6 o   79.343   4.9470   63.881   7.8379 -5.924171 9.893977 
1 1 1   20   10    7 o   82.088   4.7747   68.458   7.8126 7.245613 9.549452 
1 1 1   20   10    8 o   93.476   4.5265   88.850   8.4089 3.541801 9.052938 
1 1 1   20   10    9 o  151.381   3.9971  232.878   11.579 3.030365 7.994178 
1 1 1   20   10   10 f   82.104   5.1846   68.872   8.3922 1.452515 10.36928 
1 1 1   20   10   11 o   95.907   5.0017   93.794   9.5931 -0.4079437 10.00335 
1 1 1   20   10   12 o   30.826   8.6414   5.5604   8.4255 -6.976278 17.28283 
1 1 1   20   10   13 o   56.014   7.4233   33.568   7.9414 -4.595413 14.84657 
1 1 1   20   10   14 o   38.616   8.7381   16.049   8.1341 13.04951 17.47625 
1 1 1   20   10   15 o   36.628   8.3779   3.7025   9.5999 30.56525 16.75585 
1 1 1   20   10   16 o  101.772   6.6665  112.227   12.633 -41.15517 13.33309 
1 1 1   20   10   17 o   33.826   9.4323   8.7559   8.6725 4.826004 18.86460 
1 1 1   20   10   18 o   46.122   8.2543   24.425   7.7107 -9.174641 16.50864 
1 1 1   20   10   19 o  116.449   3.9058  139.945   9.0672 6.505829 7.811654 
1 1 1   20   10   20 o  137.088   6.8466  190.035   18.772      ?      ? 
1 1 1   20   11    0 o   73.059   9.6222   61.306   11.841 0.000000 0.000000 
1 1 1   20   11    1 o   50.500   8.1491   27.679   8.0838 8.576782 16.29811 
1 1 1   20   11    2 o   67.115   6.1806   46.212   8.2521 -9.004879 12.36118 
1 1 1   20   11    3 o  100.220   4.5657  102.351   9.0921 12.75613 9.131399 
1 1 1   20   11    4 o   43.029   9.0692   20.102   8.4344 4.537354 18.13847 
1 1 1   20   11    5 o   40.999   8.6972   17.768   7.6996 5.995613 17.39439 
1 1 1   20   11    6 o   53.987   9.5956   38.833   9.6916 -24.07981 19.19119 
1 1 1   20   11    7 o   63.271   7.4755   42.075   9.1800 -0.7905045 14.95102 
1 1 1   20   11    8 o   53.486   7.6315   31.016   7.8547 -2.327076 15.26291 
1 1 1   20   11    9 o   51.580   9.2308   28.332   8.8961 4.697182 18.46150 
1 1 1   20   11   10 o   49.937   9.9129   27.274   10.042 5.824947 19.82576 
1 1 1   20   11   11 o   44.445   9.9065   13.420   9.2691 30.63095 19.81293 
1 1 1   20   11   12 o   60.658   6.9673   39.255   8.1569 14.80099 13.93450 
1 1 1   20   11   13 o   65.548   10.185   47.003   13.037 13.52809 20.37054 
1 1 1   20   11   14 o  136.069   4.4988  184.988   12.123 24.74178 8.997623 
1 1 1   20   11   15 o   58.384   7.0144   36.363   7.9927 7.982151 14.02886 
1 1 1   20   11   16 o  110.173   5.5044  128.423   11.877 11.32558 11.00877 
1 1 1   20   11   17 o   58.568   7.6863   38.412   8.5646 6.192326 15.37255 
1 1 1   20   11   18 o   22.979   7.7984 -21.9450   10.739 3.511395 15.59676 
1 1 1   20   12    0 o   31.214   12.276   14.476   11.709 0.000000 0.000000 
1 1 1   20   12    1 o   53.618   7.8663   31.138   8.2951 10.88657 15.73258 
1 1 1   20   12    2 o  120.012   4.0757  146.059   9.7812 -1.594955 8.151299 
1 1 1   20   12    3 o   37.783   8.7264   14.188   7.7239 -10.47256 17.45273 
1 1 1   20   12    4 o   47.921   8.2938   25.475   7.9169 6.663342 16.58751 
1 1 1   20   12    5 o   87.475   5.3651   81.759   8.9382 17.00111 10.73030 
1 1 1   20   12    6 o   46.012   9.2384   24.088   8.8111 5.909828 18.47676 
1 1 1   20   12    7 o   43.228   9.0069   19.104   8.6375 17.87527 18.01379 
1 1 1   20   12    8 o   53.806   9.1864   33.236   9.7728 -3.366673 18.37288 
1 1 1   20   12    9 o   33.515   13.659   6.9348   14.455      ?      ? 
1 1 1   20   12   10 o   72.379   9.2622   53.848   12.778 37.50590 18.52448 
1 1 1   20   12   12 o  101.857   4.6024  109.118   9.3555 -6.111153 9.204860 
1 1 1   20   12   13 o  112.038   4.1792  128.121   9.3368 12.08544 8.358396 
1 1 1   20   12   14 o   46.664   8.4257   25.129   7.9682 -8.389324 16.85132 
1 1 1   20   12   15 o   43.794   8.5189   22.240   7.7863 8.975700 17.03774 
1 1 1   20   13    0 o   14.988   7.6842 -22.8383   10.779 0.000000 0.000000 
1 1 1   20   13    1 o   25.836   7.6968  -4.1921   7.6636 -14.86859 15.39351 
1 1 1   20   13    2 o   20.233   6.8655 -15.5578   8.0948 3.463200 13.73108 
1 1 1   20   13    4 o   23.276   7.5305  -7.0199   7.8796 1.258533 15.06092 
1 1 1   20   13    5 o   67.678   8.2384   42.278   12.344 -73.50617 16.47679 
1 1 1   20   13    6 o   45.207   16.448   18.138   19.285      ?      ? 
1 1 1   20   13    7 o   84.884   9.4932   85.261   14.371 -68.41669 18.98637 
1 1 1   20   13    8 o   37.704   10.082   19.381   10.408 -2.278748 20.16460 
1 1 1   20   13    9 o   42.529   10.272   18.448   9.8536 -8.184326 20.54317 
1 1 1   20   13   10 o   35.039   9.3533   11.600   8.9730 4.045731 18.70659 
1 1 1   20   13   11 o   80.344   6.2430   69.365   9.8390 -12.69833 12.48604 
1 1 1   20   13   12 o   49.484   8.5241   27.854   8.4983 -14.95647 17.04813 
1 1 1   20   13   13 o   30.314   8.5597   21.367   8.3097 -10.65159 17.11940 
1 1 1   20   13   14 o   81.837   7.7190   74.777   10.667 -57.89499 15.43796 
1 1 1   20   14    0 o   29.712   12.570   11.255   13.871 0.000000 0.000000 
1 1 1   20   14    1 o   79.792   5.1641   65.596   8.2359 2.598877 10.32812 
1 1 1   20   14    2 o   55.036   7.7005   32.215   8.0579 11.60334 15.40099 
1 1 1   20   14    3 o   47.813   8.4386   26.539   8.1177 -10.30605 16.87729 
1 1 1   20   14    4 o   28.575   8.3101   4.5332   7.5787 -2.030521 16.62017 
1 1 1   20   14    5 o   44.512   8.4905   22.523   7.6964 -2.905823 16.98103 
1 1 1   20   14    6 o   55.181   7.2587   33.376   7.8066 5.717083 14.51738 
1 1 1   20   14    7 o   44.915   8.6267   23.636   8.0616 8.578926 17.25341 
1 1 1   20   14    8 o   40.601   9.7486   18.354   9.3851 -3.881546 19.49713 
1 1 1   20   14    9 o   27.414   8.5270   39.969   9.0847 -5.164026 17.05394 
1 1 1   20   14   10 o   21.269   7.4112 -29.7169   10.512 -5.611277 14.82238 
1 1 1   20   14   11 o   70.547   8.6044   53.206   11.696 -2.685341 17.20888 
1 1 1   20   15    1 o   20.071   6.9673  -4.9209   9.1928 -5.284351 13.93464 
1 1 1   20   15    2 o   16.750   5.9496 -32.2121   8.8556 -1.570148 11.89923 
1 1 1   20   15    3 o   21.748   7.5594 -30.4505   11.457 -1.370605 15.11879 
1 1 1   20   15    4 o   31.910   9.2924  -2.7073   11.360 14.78823 18.58473 
1 1 1   20   15    5 o   98.665   4.9337   97.086   9.6351 -9.304619 9.867353 
1 1 1   20   15    6 o  104.860   6.1873  113.478   12.970 1.624695 12.37451 
1 1 1   21    0    1 o  124.086   6.5463  157.199   14.873 0.000000 0.000000 
1 1 1   21    0    2 f   32.436   11.743   13.596   10.998 0.000000 0.000000 
1 1 1   21    0    5 o  280.059   6.7729  792.606   36.073 0.000000 0.000000 
1 1 1   21    0    6 f  477.447   9.8929  2323.09   82.831 0.000000 0.000000 
1 1 1   21    0    7 o   99.732   6.8949  104.672   13.123 0.000000 0.000000 
1 1 1   21    0    8 o  453.412   10.050  2081.64   85.896 0.000000 0.000000 
1 1 1   21    0    9 o   73.853   12.947   70.935   16.645 0.000000 0.000000 
1 1 1   21    0   10 o   16.768   8.5405 -18.8850   10.900 0.000000 0.000000 
1 1 1   21    0   11 o   27.865   11.467   9.5545   10.760 0.000000 0.000000 
1 1 1   21    0   12 o  133.631   5.9801  180.076   15.914 0.000000 0.000000 
1 1 1   21    0   13 f  273.559   6.3428  751.759   34.661 0.000000 0.000000 
1 1 1   21    0   14 o   38.893   16.590   21.887   13.061 0.000000 0.000000 
1 1 1   21    0   15 o   16.685   8.5515 -19.9092   11.103 0.000000 0.000000 
1 1 1   21    0   16 o  139.343   5.7646  187.730   15.216 0.000000 0.000000 
1 1 1   21    0   17 o   60.059   11.923   43.912   11.967 0.000000 0.000000 
1 1 1   21    0   18 o   17.183   12.092 -13.6239   15.124 0.000000 0.000000 
1 1 1   21    0   19 o  115.342   6.0615  135.677   13.340 0.000000 0.000000 
1 1 1   21    0   20 o  127.767   7.1216  165.789   17.354 0.000000 0.000000 
1 1 1   21    0   21 o   56.776   10.821   42.471   10.459 0.000000 0.000000 
1 1 1   21    0   22 o   80.645   7.8731   67.895   12.212 0.000000 0.000000 
1 1 1   21    0   23 o   37.641   11.820   26.021   11.741 0.000000 0.000000 
1 1 1   21    0   24 f  147.637   4.9410  226.317   13.744 0.000000 0.000000 
1 1 1   21    0   25 o   21.170   9.7043   4.6659   9.3947 0.000000 0.000000 
1 1 1   21    0   26 o   14.948   7.7182 -29.9410   10.921 0.000000 0.000000 
1 1 1   21    1    0 f   10.602   7.9316 -47.6651   13.707 0.000000 0.000000 
1 1 1   21    1    1 o  168.364   3.4044  283.887   11.463 -2.614807 6.808716 
1 1 1   21    1    2 o  149.889   3.8143  226.401   11.322 7.043900 7.628669 
1 1 1   21    1    3 o  275.828   6.3820  762.845   35.207      ?      ? 
1 1 1   21    1    4 o  431.798   11.105  1879.66   95.906      ?      ? 
1 1 1   21    1    5 o  354.035   5.0070  1258.10   35.114 1.078339 10.01409 
1 1 1   21    1    6 o  115.450   3.8074  135.152   8.4885 5.596260 7.614821 
1 1 1   21    1    7 o  124.913   3.9874  156.466   9.9529 6.787277 7.974707 
1 1 1   21    1    8 o  212.400   3.8568  452.292   16.384 0.6326294E-01 7.713595 
1 1 1   21    1    9 o  341.254   5.8854  1148.58   38.515 -21.79327 11.77072 
1 1 1   21    1   10 o  197.536   3.3607  390.711   13.269 -6.046814 6.721426 
1 1 1   21    1   11 o  182.801   3.6053  337.101   13.079 -9.776627 7.210666 
1 1 1   21    1   12 o  168.643   3.5879  287.149   11.961 -7.606949 7.175876 
1 1 1   21    1   13 o   53.536   7.3069   29.884   7.6331 -11.91604 14.61379 
1 1 1   21    1   14 o   33.281   8.8379   8.6313   7.9535 -0.3821983 17.67571 
1 1 1   21    1   15 o   30.408   7.7309  -5.3054   7.9894 -27.10849 15.46186 
1 1 1   21    1   16 o  161.026   4.7899  156.396   11.906 -125.5317 9.579715 
1 1 1   21    1   17 o  116.855   6.9510  154.222   11.444 19.04052 13.90198 
1 1 1   21    1   18 o  119.976   3.9324  145.564   9.2645 0.9182968 7.864784 
1 1 1   21    1   19 o   25.950   8.1371  -3.1388   8.4091 -1.085163 16.27412 
1 1 1   21    1   20 o  249.360   5.3078  636.717   26.432 -2.235306 10.61558 
1 1 1   21    1   21 o   35.348   8.7032   12.407   7.5722 -4.066010 17.40631 
1 1 1   21    1   22 o   27.868   7.7283  -5.0194   8.4976 -18.83109 15.45655 
1 1 1   21    1   23 o   30.452   7.5885  -0.5699   7.9415 -27.76692 15.17697 
1 1 1   21    1   24 o   47.786   7.7652   25.678   7.3166 -10.11022 15.53045 
1 1 1   21    1   25 o  115.138   3.7094  149.568   8.5405 2.852745 7.418844 
1 1 1   21    1   26 o   18.390   6.3007 -17.3410   7.4542 6.243160 12.60134 
1 1 1   21    2    0 o  131.779   8.6148  176.290   22.507 0.000000 0.000000 
1 1 1   21    2    1 o  411.440   6.8030  1689.64   55.642 63.56506 13.60598 
1 1 1   21    2    2 o  349.478   5.3607  1176.58   36.417 -57.92059 10.72132 
1 1 1   21    2    3 o  375.657   5.3086  1413.07   39.350 -5.177368 10.61721 
1 1 1   21    2    4 o  307.008   4.5175  947.896   27.523 -7.803528 9.035033 
1 1 1   21    2    5 o  273.162   3.8321  747.797   20.934 -1.155792 7.664268 
1 1 1   21    2    6 o  266.544   4.0517  713.960   21.417 -4.938354 8.103406 
1 1 1   21    2    7 o  238.263   4.3376  570.358   19.347 -1.225235 8.675188 
1 1 1   21    2    8 o  255.045   4.2422  623.495   20.993 45.25989 8.484380 
1 1 1   21    2    9 o   68.467   6.2689   47.095   8.5303 -1.323341 12.53772 
1 1 1   21    2   10 o   27.624   7.8641  -3.1290   8.1417 15.43640 15.72810 
1 1 1   21    2   11 o  248.190   3.8817  619.375   19.129 3.346985 7.763400 
1 1 1   21    2   12 o  182.023   3.7848  332.466   13.774 2.930267 7.569632 
1 1 1   21    2   13 o  131.341   3.7755  172.913   9.7986 -1.934616 7.550967 
1 1 1   21    2   14 o   21.326   7.0558 -11.3323   7.6940 2.682409 14.11162 
1 1 1   21    2   15 o   85.019   4.9707   74.373   8.2602 19.27087 9.941435 
1 1 1   21    2   16 o   51.819   7.2244   27.136   7.7166 -40.07871 14.44882 
1 1 1   21    2   17 o   69.391   5.4259   48.809   7.5164 -4.688774 10.85174 
1 1 1   21    2   18 o   98.291   4.5143   97.968   8.8731 -1.621696 9.028514 
1 1 1   21    2   19 f   78.419   5.9736   63.499   9.2582 -3.723053 11.94721 
1 1 1   21    2   20 o  112.465   4.5994  128.838   10.334 0.3637009 9.198885 
1 1 1   21    2   21 o   37.060   9.7792   12.716   9.2076 3.802036 19.55837 
1 1 1   21    2   22 o   71.526   8.4511   49.024   11.148 51.20407 16.90220 
1 1 1   21    2   23 o   26.617   8.1716  -1.7646   8.5547 8.197750 16.34311 
1 1 1   21    2   24 o   61.884   6.3362   40.542   7.8410 -1.185020 12.67236 
1 1 1   21    3    0 o  314.999   7.4697  995.127   44.009 0.000000 0.000000 
1 1 1   21    3    1 o  441.164   7.3153  1960.73   63.237 -1.079132 14.63054 
1 1 1   21    3    3 o  246.084   3.9479  601.801   19.078 10.48006 7.895702 
1 1 1   21    3    4 o  123.710   4.0983  153.110   9.9742 1.390518 8.196512 
1 1 1   21    3    5 o  296.232   5.0952  788.837   25.476 56.75476 10.19049 
1 1 1   21    3    6 o  156.673   4.2478  247.757   12.144 -2.585236 8.495626 
1 1 1   21    3    7 o  222.784   4.5201  486.682   19.212 16.06992 9.040237 
1 1 1   21    3    8 o  250.793   3.8048  635.367   18.596 -9.102737 7.609655 
1 1 1   21    3    9 o   72.274   6.1729   53.727   8.7059 -8.351753 12.34583 
1 1 1   21    3   10 o  148.064   3.6257  220.196   10.594 -1.074707 7.251387 
1 1 1   21    3   11 o   21.483   7.1457 -12.2887   7.4655 7.739103 14.29134 
1 1 1   21    3   12 o  154.097   3.5925  238.901   10.905 -2.105392 7.184942 
1 1 1   21    3   13 o  163.607   3.5566  270.715   11.478 -7.565094 7.113173 
1 1 1   21    3   14 o   87.434   4.9915   78.124   8.3276 -4.047249 9.982924 
1 1 1   21    3   15 o  188.999   5.5032  359.076   20.802      ?      ? 
1 1 1   21    3   16 o  106.780   5.0566  115.709   10.023 -0.6124802 10.11328 
1 1 1   21    3   17 o  180.373   3.8967  333.443   12.107 -6.491547 7.793440 
1 1 1   21    3   18 o  211.262   4.0783  449.635   15.242 0.8847351 8.156528 
1 1 1   21    3   19 o   26.169   8.1870  -0.3823   7.2984 3.422470 16.37391 
1 1 1   21    3   20 o   34.692   9.5474   10.279   9.2307 -7.643986 19.09488 
1 1 1   21    3   21 o  126.340   6.9890  159.177   10.440 4.346283 13.97793 
1 1 1   21    3   22 o   66.714   9.1547   45.311   12.215      ?      ? 
1 1 1   21    3   23 o   40.551   10.220   15.506   8.4102 8.105526 20.43922 
1 1 1   21    3   24 o   75.928   7.0165   56.493   7.1922 5.739769 14.03304 
1 1 1   21    3   25 o  188.102   5.5689  356.907   20.950      ?      ? 
1 1 1   21    4    0 o   38.927   15.233   21.588   17.216 0.000000 0.000000 
1 1 1   21    4    1 o   78.644   7.5286   68.799   10.282 -20.26094 15.05724 
1 1 1   21    4    2 o  213.380   4.2944  463.328   17.417 -10.55553 8.588742 
1 1 1   21    4    3 o  245.866   5.8561  593.932   22.407 8.235992 11.71218 
1 1 1   21    4    4 o  229.142   4.2607  524.272   17.374 2.007523 8.521399 
1 1 1   21    4    5 o  199.084   3.7277  397.213   14.613 0.2664185E-01 7.455327 
1 1 1   21    4    6 o  183.075   5.3699  335.932   19.662      ?      ? 
1 1 1   21    4    7 o  248.902   3.7932  624.054   18.330 -5.010849 7.586406 
1 1 1   21    4    8 o  137.832   3.6726  194.702   9.7886 -13.49905 7.345291 
1 1 1   21    4    9 o  127.044   3.8886  161.257   9.7722 3.900551 7.777114 
1 1 1   21    4   10 o  209.726   3.6178  441.907   15.016 -1.756516 7.235629 
1 1 1   21    4   11 f  209.816   3.4725  445.584   14.163 -8.229767 6.944943 
1 1 1   21    4   12 o  194.985   3.5983  382.872   13.848 -3.118774 7.196504 
1 1 1   21    4   13 o   68.378   6.2757   48.203   8.3452 -6.062851 12.55134 
1 1 1   21    4   14 o   35.163   9.1591  -0.4124   8.7671 28.39267 18.31821 
1 1 1   21    4   15 o   41.918   8.9273   18.579   8.6550 -14.23713 17.85461 
1 1 1   21    4   16 f   28.223   8.1324   3.2246   7.4400 -4.367855 16.26484 
1 1 1   21    4   17 o  162.217   3.5991  266.751   11.483 -4.548889 7.198292 
1 1 1   21    4   18 o   34.376   8.6683   11.166   7.2704 -0.1351814 17.33658 
1 1 1   21    4   19 o  113.380   7.0675  129.173   9.9315 1.719238 14.13494 
1 1 1   21    4   20 o  115.297   7.5211  153.179   11.993 -19.83580 15.04210 
1 1 1   21    4   21 o   60.032   8.7061   36.674   10.453      ?      ? 
1 1 1   21    4   22 o  119.748   6.0408  152.170   11.517 3.577110 12.08165 
1 1 1   21    4   23 o   94.475   5.9680   86.874   9.0436 9.344513 11.93606 
1 1 1   21    4   24 f  108.968   5.0656  127.363   8.8834 -2.850601 10.13121 
1 1 1   21    4   25 o   35.701   9.7285   8.4450   8.0396 13.94679 19.45709 
1 1 1   21    5    0 o  129.266   7.1013  178.573   16.839 0.000000 0.000000 
1 1 1   21    5    1 o   65.529   9.7452   45.239   12.382 9.497898 19.49041 
1 1 1   21    5    2 f  324.947   5.6961  1066.05   36.488 9.336151 11.39224 
1 1 1   21    5    3 o  244.438   3.6970  597.532   18.051 -10.16940 7.393903 
1 1 1   21    5    4 o  198.122   4.2304  394.692   15.783 -1.657166 8.460863 
1 1 1   21    5    5 o   29.792   9.3671  -1.4619   9.1236 6.482868 18.73411 
1 1 1   21    5    6 o  111.028   4.6178  124.970   9.2860 -2.588486 9.235614 
1 1 1   21    5    7 o  100.514   4.8715  105.954   8.9019 -11.27631 9.743002 
1 1 1   21    5    8 o  111.222   4.5589  130.309   9.1500 -13.42229 9.117853 
1 1 1   21    5    9 o  165.290   3.8819  278.427   11.648 -6.310013 7.763891 
1 1 1   21    5   10 o  117.693   4.5620  140.247   10.140 -2.408722 9.123919 
1 1 1   21    5   11 o  131.586   4.1828  172.341   9.9703 3.008087 8.365563 
1 1 1   21    5   12 o  181.135   3.6311  328.492   12.914 3.079315 7.262188 
1 1 1   21    5   13 o  123.771   4.1587  157.800   10.036 -18.19195 8.317326 
1 1 1   21    5   14 o  164.165   4.3695  285.911   13.435 -30.05862 8.738913 
1 1 1   21    5   15 o   62.578   6.5885   41.121   7.5847 -3.545139 13.17698 
1 1 1   21    5   16 o  136.086   4.8665  189.064   13.178 -9.732468 9.733073 
1 1 1   21    5   17 o  162.087   3.4471  267.931   10.537 -6.085083 6.894123 
1 1 1   21    5   18 f   87.594   5.6974   78.021   8.2213 0.3457565 11.39482 
1 1 1   21    5   19 o   32.369   8.6543   8.9005   7.7851 -4.328672 17.30865 
1 1 1   21    5   20 o   26.008   8.0845  -2.2762   8.3539 -3.515963 16.16905 
1 1 1   21    5   21 o  178.775   6.6634  241.609   17.255 69.47792 13.32679 
1 1 1   21    5   22 o   58.445   10.841   35.921   9.5554 2.471291 21.68253 
1 1 1   21    5   23 o   28.020   8.8638  -0.1403   7.3488 12.28235 17.72758 
1 1 1   21    5   24 o   86.289   5.4049   75.106   9.3277      ?      ? 
1 1 1   21    6    0 o  140.846   5.2852  200.500   14.785 0.000000 0.000000 
1 1 1   21    6    1 o  109.905   4.6279  121.428   10.075 0.4575272 9.255835 
1 1 1   21    6    2 o  170.997   3.4585  293.201   11.828 -0.4511871 6.917079 
1 1 1   21    6    3 f  133.812   4.0912  181.218   10.819 -8.314545 8.182446 
1 1 1   21    6    4 o  249.263   4.2442  623.363   21.130 5.214462 8.488318 
1 1 1   21    6    5 o  193.987   3.7606  377.736   14.589 -2.086105 7.521170 
1 1 1   21    6    6 o  130.581   3.6980  169.958   9.5917 -7.359268 7.395919 
1 1 1   21    6    7 o   78.695   5.1798   62.535   8.0704 1.551781 10.35967 
1 1 1   21    6    8 o  105.130   4.5616  110.814   9.5719 6.125458 9.123261 
1 1 1   21    6    9 o  193.186   3.5629  375.794   13.589 -3.100357 7.125759 
1 1 1   21    6   10 o   60.585   7.6196   38.215   8.9045 16.65614 15.23917 
1 1 1   21    6   11 o   87.584   5.3311   78.917   9.1702 -11.27336 10.66219 
1 1 1   21    6   12 o  173.857   3.5451  301.824   11.821 3.298325 7.090209 
1 1 1   21    6   13 o  161.287   3.7021  263.914   11.761 -7.874146 7.404119 
1 1 1   21    6   14 f  124.576   4.3254  157.445   10.730 -12.14890 8.650826 
1 1 1   21    6   15 o  108.451   4.2184  118.595   8.9420 1.706673 8.436789 
1 1 1   21    6   16 o  123.359   3.6989  154.671   8.6809 -3.038605 7.397715 
1 1 1   21    6   17 o  145.756   4.2346  222.006   11.569 -14.11931 8.469162 
1 1 1   21    6   18 o   55.496   7.5301   33.269   8.0259 -3.797722 15.06013 
1 1 1   21    6   19 o  131.139   4.0133  177.855   10.103 -6.427719 8.026621 
1 1 1   21    6   21 f  116.115   5.2876  142.097   10.882 -7.172195 10.57527 
1 1 1   21    6   22 o   30.904   9.1054   5.4896   9.0144 0.7269859E-01 18.21080 
1 1 1   21    6   23 o   22.913   7.2671   5.5952   7.4240 -5.146887 14.53420 
1 1 1   21    7    0 o   27.108   11.804   5.2821   13.011 0.000000 0.000000 
1 1 1   21    7    1 o   71.782   6.2692   52.320   8.8623 -2.178680 12.53837 
1 1 1   21    7    2 f  216.490   3.7654  470.633   16.111 -0.5994415 7.530783 
1 1 1   21    7    3 o   54.435   7.6988   31.225   8.1851 -15.27396 15.39752 
1 1 1   21    7    4 o  106.620   4.3092  113.110   9.1422 -12.69633 8.618402 
1 1 1   21    7    5 o  123.893   3.9372  153.059   9.6856 -7.321960 7.874441 
1 1 1   21    7    6 o   75.313   5.1962   57.222   7.8216 0.8189850 10.39237 
1 1 1   21    7    7 o   40.794   8.4255   17.231   7.5330 -10.76810 16.85097 
1 1 1   21    7    8 o   47.093   8.0859   23.567   7.5653 5.771317 16.17177 
1 1 1   21    7    9 o  211.341   3.3991  448.736   14.366 0.8901520 6.798241 
1 1 1   21    7   10 f   89.438   4.6280   81.067   8.2288 -8.579353 9.255929 
1 1 1   21    7   11 o   90.063   5.4226   82.507   9.7178 -6.533684 10.84529 
1 1 1   21    7   12 f   29.882   8.4667  -0.3940   8.7024 15.72745 16.93333 
1 1 1   21    7   13 o   92.446   5.0056   86.720   9.2474 0.8090210 10.01123 
1 1 1   21    7   14 o  170.538   3.6047  293.391   12.056 0.1727448 7.209465 
1 1 1   21    7   15 o   95.904   5.4295   93.458   8.6662 -0.1646881 10.85903 
1 1 1   21    7   16 o   34.651   9.4887   9.5861   8.4615 3.417267 18.97750 
1 1 1   21    7   17 o   80.816   5.2671   67.767   8.1931 -3.683662 10.53418 
1 1 1   21    7   18 o   83.874   5.0269   69.398   7.8118 9.030472 10.05374 
1 1 1   21    7   19 o   26.730   11.932  -4.9288   13.043      ?      ? 
1 1 1   21    7   20 o   50.596   9.1201   31.260   8.3922 -12.86658 18.24019 
1 1 1   21    7   21 o   59.339   6.9832   36.279   7.2957 4.689259 13.96632 
1 1 1   21    7   23 o   47.400   11.319   25.448   10.598      ?      ? 
1 1 1   21    8    0 o   34.264   12.549   17.579   11.299 0.000000 0.000000 
1 1 1   21    8    1 o   79.089   5.7878   65.264   8.8677 -16.37335 11.57566 
1 1 1   21    8    2 o  129.201   3.8508  167.355   9.8601 2.441147 7.701669 
1 1 1   21    8    3 o  125.469   3.6518  158.120   9.1603 4.873451 7.303677 
1 1 1   21    8    4 o  105.123   4.1460  111.450   8.6842 -9.970642 8.292046 
1 1 1   21    8    5 o  225.013   3.4979  508.439   15.740 -0.9161377E-01 6.995751 
1 1 1   21    8    6 f  106.086   4.3010  113.821   9.0788 -4.861176 8.602040 
1 1 1   21    8    7 o  119.779   4.3025  144.733   10.288 -6.827911 8.604975 
1 1 1   21    8    8 o  157.098   4.0233  242.275   12.487 26.13730 8.046595 
1 1 1   21    8    9 o   25.666   8.0723  -3.7941   8.2739 1.511305 16.14469 
1 1 1   21    8   10 o   72.320   5.4730   53.506   7.8781 -6.320763 10.94608 
1 1 1   21    8   11 o   47.679   8.4179   25.010   8.1500 12.44094 16.83583 
1 1 1   21    8   12 o   77.759   6.4376   65.834   9.2018 14.77007 12.87522 
1 1 1   21    8   13 o  173.781   4.0438  305.792   13.332 1.090057 8.087583 
1 1 1   21    8   14 o   71.340   8.3691   55.372   11.434 -11.09165 16.73820 
1 1 1   21    8   15 o   58.695   7.3503   36.488   8.4489 5.102779 14.70055 
1 1 1   21    8   16 o   88.264   5.7536   90.835   8.2486 -23.55270 11.50723 
1 1 1   21    8   17 o   39.434   8.2450   11.507   8.0472 28.50094 16.48992 
1 1 1   21    8   18 o   40.397   9.8471   5.6979   12.232 29.77073 19.69414 
1 1 1   21    8   19 o  104.911   5.3495  111.902   9.1791 1.148529 10.69899 
1 1 1   21    8   20 o   90.153   4.8585   88.508   7.9090 -13.66248 9.716975 
1 1 1   21    8   22 o   41.768   12.537   19.949   11.304      ?      ? 
1 1 1   21    9    0 o  109.515   5.7597  122.696   12.458 0.000000 0.000000 
1 1 1   21    9    1 o  141.254   4.0756  200.249   11.498 -6.529999 8.151210 
1 1 1   21    9    2 o   25.530   7.9354  -7.5234   8.6565 10.17019 15.87080 
1 1 1   21    9    3 o  152.938   4.1127  228.934   12.409 28.96744 8.225409 
1 1 1   21    9    4 o  201.358   4.6203  396.430   17.794 19.36462 9.240629 
1 1 1   21    9    5 o  295.115   4.4675  880.744   26.209 -8.795624 8.935098 
1 1 1   21    9    6 o   25.296   7.8147  -4.5025   7.9673 -8.396410 15.62944 
1 1 1   21    9    7 o   75.590   5.3516   58.251   8.0749 -3.611198 10.70318 
1 1 1   21    9    8 o   32.793   8.5594   8.9941   7.4633 3.397194 17.11874 
1 1 1   21    9    9 o  149.950   3.6071  226.243   10.716 -2.176392 7.214191 
1 1 1   21    9   10 o  125.355   4.3327  154.477   10.289 -10.95820 8.665380 
1 1 1   21    9   11 o  133.121   3.8028  179.481   10.049 2.879623 7.605623 
1 1 1   21    9   12 o  104.909   5.3908  114.518   10.644 -6.301010 10.78161 
1 1 1   21    9   13 o   90.714   4.3455   81.774   7.7846 12.93975 8.690936 
1 1 1   21    9   14 o   55.512   7.4733   33.304   8.0833 -11.77870 14.94660 
1 1 1   21    9   15 o   91.888   4.8793   84.218   8.6902 12.48320 9.758528 
1 1 1   21    9   16 o  234.267   7.0673  553.708   33.113      ?      ? 
1 1 1   21    9   17 o   29.652   8.4260   3.3425   8.7872 17.29917 16.85201 
1 1 1   21    9   18 o   61.407   6.7604   41.747   7.6086 -7.597595 13.52079 
1 1 1   21    9   19 o   59.441   6.8648   36.046   7.8344 9.755222 13.72961 
1 1 1   21   10    0 o   31.823   10.808   11.113   10.440 0.000000 0.000000 
1 1 1   21   10    1 o   47.581   8.0323   24.537   7.5742 7.825798 16.06462 
1 1 1   21   10    2 o   29.101   8.3841   3.6103   7.8139 3.539948 16.76819 
1 1 1   21   10    3 o  108.863   4.8061  118.063   9.8713 -5.051216 9.612251 
1 1 1   21   10    4 o   66.076   6.2392   45.141   8.1390 5.744007 12.47835 
1 1 1   21   10    5 o   50.879   8.7666   28.029   8.8245 4.030071 17.53316 
1 1 1   21   10    6 o   58.892   8.3235   37.282   9.5943 -19.55308 16.64708 
1 1 1   21   10    7 o   54.541   7.8925   33.406   8.3032 17.34196 15.78498 
1 1 1   21   10    8 o  142.558   3.7201  205.151   10.477 -0.2762604 7.440156 
1 1 1   21   10    9 f   50.476   7.3684   27.588   7.1955 -6.672501 14.73685 
1 1 1   21   10   10 f   65.083   6.6588   46.301   7.9892 -12.52842 13.31760 
1 1 1   21   10   11 o  119.811   4.9814  149.165   11.366 -7.760368 9.962811 
1 1 1   21   10   12 o   48.292   8.1002   25.146   7.6926 11.14221 16.20040 
1 1 1   21   10   13 o   74.182   5.5237   56.168   8.0997 14.84824 11.04745 
1 1 1   21   10   14 f   32.329   13.691   1.3779   15.325      ?      ? 
1 1 1   21   10   15 o   24.745   8.3230 -14.6080   11.324 0.2368450 16.64601 
1 1 1   21   10   16 o   60.950   7.0281   39.443   8.5640 1.930252 14.05619 
1 1 1   21   10   17 o   45.912   8.4559   24.289   7.8686 -4.961586 16.91190 
1 1 1   21   10   18 o   28.495   8.6342   5.9718   8.7576 1.423683 17.26844 
1 1 1   21   10   19 f  143.818   6.6256  209.028   19.058      ?      ? 
1 1 1   21   11    0 f   33.896   10.468   10.831   10.421 0.000000 0.000000 
1 1 1   21   11    1 o   55.577   7.2184   32.888   7.7079 1.656979 14.43673 
1 1 1   21   11    2 o   68.104   5.7982   47.395   7.8872 3.727997 11.59636 
1 1 1   21   11    3 o   72.500   5.4750   53.344   7.8952 4.741158 10.94999 
1 1 1   21   11    4 o   65.303   6.1244   44.271   7.8721 -4.188477 12.24889 
1 1 1   21   11    5 o   69.536   6.4063   50.281   8.8054 12.63449 12.81256 
1 1 1   21   11    6 o   59.037   7.7099   37.586   8.8084 16.00898 15.41976 
1 1 1   21   11    7 f   48.428   9.4677   26.718   9.1876 -5.706779 18.93531 
1 1 1   21   11    8 o   64.490   9.7471   56.794   12.002 -37.27410 19.49427 
1 1 1   21   11    9 o  108.110   4.0425  118.778   8.7370 -4.340958 8.085011 
1 1 1   21   11   10 o   22.149   7.2318  -6.8417   7.5205 -1.286671 14.46355 
1 1 1   21   11   11 o  155.499   5.1076  232.333   15.417 35.55580 10.21522 
1 1 1   21   11   12 f  364.779   9.6873  1354.01   70.674      ?      ? 
1 1 1   21   11   13 o   32.395   9.3460   11.095   9.5071 4.500608 18.69200 
1 1 1   21   11   14 o   73.042   5.5787   55.663   8.1383 2.607292 11.15734 
1 1 1   21   11   15 o  106.691   4.8365  111.999   9.9775 19.51957 9.672943 
1 1 1   21   11   16 o   57.723   7.6538   37.823   8.4773 4.366798 15.30765 
1 1 1   21   11   17 o   22.615   10.894 -21.0665   14.591      ?      ? 
1 1 1   21   12    0 o   80.740   6.9318   69.675   10.864 0.000000 0.000000 
1 1 1   21   12    1 o   34.711   8.5282   12.021   7.2573 -1.017448 17.05631 
1 1 1   21   12    2 o   84.210   4.6383   72.433   7.7831 9.641075 9.276661 
1 1 1   21   12    3 o   31.693   8.7280   7.4405   7.9037 -4.090237 17.45594 
1 1 1   21   12    4 o   27.689   8.2594   2.0949   7.7837 -2.696068 16.51888 
1 1 1   21   12    5 o   23.014   7.3306  -3.8702   7.1349 1.886730 14.66118 
1 1 1   21   12    6 o   75.054   6.7215   53.174   9.1264 18.92124 13.44306 
1 1 1   21   12    7 o   70.975   14.309   55.496   19.599      ?      ? 
1 1 1   21   12    8 o   31.783   9.9685  -7.8109   12.531 10.89717 19.93691 
1 1 1   21   12    9 o  127.731   8.8878  166.322   22.705      ?      ? 
1 1 1   21   12   10 o   37.500   9.3169   15.374   10.735 23.31371 18.63387 
1 1 1   21   12   11 o   28.301   8.8413  -1.9717   9.9229 1.744678 17.68267 
1 1 1   21   12   12 o   71.721   6.2987   54.139   9.0150 -5.749382 12.59738 
1 1 1   21   12   13 o   94.716   5.0227   93.574   9.4786 3.928581 10.04540 
1 1 1   21   12   14 o   38.327   8.6739   31.547   8.7142 21.13376 17.34781 
1 1 1   21   13    0 f   90.325   11.171   90.792   17.672 0.000000 0.000000 
1 1 1   21   13    1 o  119.333   7.9661  144.150   19.012      ?      ? 
1 1 1   21   13    2 o   41.707   10.900   15.213   11.980 -3.285164 21.80038 
1 1 1   21   13    3 o   22.320   7.6882 -29.2371   10.401 10.47327 15.37643 
1 1 1   21   13    5 o   33.028   8.2670   10.459   8.0589 -19.18219 16.53404 
1 1 1   21   13    6 o   34.117   8.8726   11.286   7.9783 -1.461254 17.74513 
1 1 1   21   13    7 o  106.720   4.8155  113.599   9.9489 12.21765 9.630976 
1 1 1   21   13    8 o   42.696   9.2822   20.504   8.7084 8.265759 18.56434 
1 1 1   21   13    9 o   83.040   8.6025   75.029   14.038 -7.017563 17.20507 
1 1 1   21   13   10 o   31.288   9.1371   6.0175   9.0661 -1.020157 18.27411 
1 1 1   21   13   11 f   80.878   5.8328   89.409   9.2371 6.931404 11.66562 
1 1 1   21   13   12 o   42.232   10.662   12.377   13.729 21.76712 21.32391 
1 1 1   21   13   13 o   29.710   8.6624   0.8307   9.3546 13.09627 17.32472 
1 1 1   21   14    0 o   23.965   10.736   3.2712   11.293 0.000000 0.000000 
1 1 1   21   14    1 o  122.951   4.9169  156.616   11.202 -1.740784 9.833780 
1 1 1   21   14    2 o   43.825   8.6664   22.209   7.9248 -4.349449 17.33289 
1 1 1   21   14    3 o   32.533   8.6725   9.7746   7.7784 4.300991 17.34502 
1 1 1   21   14    4 f   57.700   7.1158   35.992   8.0145 -6.964165 14.23170 
1 1 1   21   14    5 o   81.872   5.2206   69.738   8.4928 -0.8616638 10.44122 
1 1 1   21   14    6 f   75.586   5.9243   64.073   8.9221 -6.506210 11.84866 
1 1 1   21   14    7 o   44.169   9.0548   35.215   8.8851 13.69096 18.10962 
1 1 1   21   14    8 o   26.240   8.9353 -32.2356   14.405 5.700846 17.87064 
1 1 1   21   14    9 o   54.537   10.440   34.364   11.930 13.96109 20.87901 
1 1 1   21   15    0 o   29.101   12.720   10.277   13.628 0.000000 0.000000 
1 1 1   21   15    1 o   30.777   13.563   0.2533   16.217      ?      ? 
1 1 1   21   15    2 o   22.214   7.6574 -18.3171   10.935 -0.8533287E-01 15.31480 
1 1 1   22    0    0 o   33.357   14.078   11.815   16.339 0.000000 0.000000 
1 1 1   22    0    1 f   24.207   11.515 -12.4038   16.112 0.000000 0.000000 
1 1 1   22    0    2 o   22.596   10.872  -8.4748   12.499 0.000000 0.000000 
1 1 1   22    0    3 o   19.085   9.4325 -14.3339   12.341 0.000000 0.000000 
1 1 1   22    0    4 o   72.344   9.2081   56.176   10.969 0.000000 0.000000 
1 1 1   22    0    5 o  143.943   5.7652  210.397   15.899 0.000000 0.000000 
1 1 1   22    0    6 o  112.675   7.7322  130.000   16.852 0.000000 0.000000 
1 1 1   22    0    7 o   83.707   8.3512   71.801   13.024 0.000000 0.000000 
1 1 1   22    0    8 o   56.703   11.935   37.520   10.979 0.000000 0.000000 
1 1 1   22    0    9 o   72.470   9.2304   53.543   11.162 0.000000 0.000000 
1 1 1   22    0   10 o   37.330   12.042   21.581   10.788 0.000000 0.000000 
1 1 1   22    0   11 o   28.231   11.990   8.6630   10.795 0.000000 0.000000 
1 1 1   22    0   12 o   41.832   13.271   25.543   11.291 0.000000 0.000000 
1 1 1   22    0   13 o  214.987   5.5347  462.830   20.902 0.000000 0.000000 
1 1 1   22    0   14 o  296.298   6.5936  902.926   34.855 0.000000 0.000000 
1 1 1   22    0   15 o   91.599   7.6321   92.353   11.980 0.000000 0.000000 
1 1 1   22    0   16 o   14.867   10.553 -12.9257   12.164 0.000000 0.000000 
1 1 1   22    0   17 o   13.603   9.8180 -17.2642   11.994 0.000000 0.000000 
1 1 1   22    0   18 o   18.793   13.593 -34.4904   23.625 0.000000 0.000000 
1 1 1   22    0   19 o   18.454   9.0409  -7.9042   10.243 0.000000 0.000000 
1 1 1   22    0   20 o   51.013   12.604   34.583   11.379 0.000000 0.000000 
1 1 1   22    0   21 o  225.348   6.8117  518.051   30.579 0.000000 0.000000 
1 1 1   22    0   22 o   50.044   9.5726   40.683   10.971 0.000000 0.000000 
1 1 1   22    0   23 o   58.008   10.470   43.964   10.281 0.000000 0.000000 
1 1 1   22    0   24 o   23.991   10.316   5.7486   9.4167 0.000000 0.000000 
1 1 1   22    0   25 o  115.942   13.968  192.392   19.025 0.000000 0.000000 
1 1 1   22    1    0 f  361.629   9.6853  1321.82   69.786 0.000000 0.000000 
1 1 1   22    1    1 o  198.287   3.7194  394.039   14.621 0.5090332E-01 7.438796 
1 1 1   22    1    2 o   24.784   8.0830 -10.4416   9.3271 -2.031332 16.16599 
1 1 1   22    1    3 o   99.461   5.0506   99.230   9.9896 -14.47304 10.10118 
1 1 1   22    1    4 o  163.874   3.5602  270.292   11.560 5.650635 7.120353 
1 1 1   22    1    6 o  148.960   4.6576  222.051   13.857 -9.236603 9.315134 
1 1 1   22    1    7 o  177.094   3.4058  310.745   11.666 -7.512756 6.811691 
1 1 1   22    1    8 o   34.846   8.6160   8.8935   7.8224 -14.79706 17.23196 
1 1 1   22    1    9 o   64.027   5.9866   41.372   7.6629 0.6199875 11.97324 
1 1 1   22    1   10 f  193.626   3.3002  375.974   12.779 2.666458 6.600409 
1 1 1   22    1   11 o  403.922   5.2178  1644.07   42.150 -2.367920 10.43562 
1 1 1   22    1   12 o  174.499   3.2843  305.626   11.461 -1.865799 6.568661 
1 1 1   22    1   13 o   26.601   8.1843  -1.7309   8.1561 -1.159866 16.36867 
1 1 1   22    1   14 o   43.673   9.1642   19.811   8.4844 2.837116 18.32831 
1 1 1   22    1   15 o   29.885   8.2988  -3.2919   8.5201 20.53753 16.59753 
1 1 1   22    1   16 o   33.503   8.5034   10.081   7.2856 3.191050 17.00682 
1 1 1   22    1   17 o   46.879   8.7919   24.123   8.4355 -6.397156 17.58372 
1 1 1   22    1   18 o  155.693   5.7842  249.497   15.037 3.462204 11.56839 
1 1 1   22    1   19 o  129.916   4.0104  171.129   10.400 0.1373444 8.020854 
1 1 1   22    1   20 o   72.910   5.5356   54.067   7.9903 14.51108 11.07119 
1 1 1   22    1   21 o  124.457   4.5811  143.019   10.662 -29.77081 9.162131 
1 1 1   22    1   23 o   52.961   7.6405   33.257   7.5992 16.53964 15.28099 
1 1 1   22    1   24 o   68.174   5.6839   47.939   7.3532 -6.678818 11.36788 
1 1 1   22    1   25 o  114.121   4.3922  129.079   9.2746 -6.032623 8.784471 
1 1 1   22    2    0 o  125.928   7.1986  170.817   16.420 0.000000 0.000000 
1 1 1   22    2    1 o  356.574   5.1180  1276.22   36.067 1.460999 10.23597 
1 1 1   22    2    2 o  219.269   4.2538  487.756   17.794 -8.769577 8.507530 
1 1 1   22    2    3 o   68.729   6.7241   47.364   9.1331 2.175819 13.44826 
1 1 1   22    2    4 o  286.102   4.3223  819.259   24.378 3.659576 8.644588 
1 1 1   22    2    5 o  202.194   6.7122  410.284   27.143      ?      ? 
1 1 1   22    2    6 o  144.488   3.5178  209.406   10.154 -7.156555 7.035591 
1 1 1   22    2    7 o  145.268   3.3595  211.678   9.7464 -9.493439 6.718959 
1 1 1   22    2    8 o   69.752   5.4817   49.155   7.6203 -3.620041 10.96343 
1 1 1   22    2    9 o  201.281   3.3120  406.385   13.329 -1.334000 6.623977 
1 1 1   22    2   10 o   36.211   8.6234   12.562   7.3967 -0.4175186 17.24677 
1 1 1   22    2   11 o  205.906   3.6358  426.334   14.873 2.748978 7.271624 
1 1 1   22    2   12 o  129.106   4.0814  167.614   10.536 1.525558 8.162708 
1 1 1   22    2   13 o  103.467   4.4669  108.872   9.1193 -7.175217 8.933756 
1 1 1   22    2   14 o   98.395   4.8476  101.256   9.1205 16.00592 9.695128 
1 1 1   22    2   15 f   71.095   6.8399   58.093   8.3856 37.18546 13.67984 
1 1 1   22    2   16 o  108.782   4.3642  119.809   9.4691 -2.326538 8.728453 
1 1 1   22    2   17 o  100.676   6.3253  105.949   11.090 4.883949 12.65068 
1 1 1   22    2   18 o   64.450   7.2657   49.562   7.9591 24.33480 14.53147 
1 1 1   22    2   19 o   46.670   8.0689   24.013   7.5945 12.41545 16.13771 
1 1 1   22    2   20 o  144.630   3.8637  210.666   10.921 6.269302 7.727462 
1 1 1   22    2   21 o  159.666   3.9609  255.567   12.564 -25.71135 7.921782 
1 1 1   22    2   22 o   91.039   4.5100   86.490   8.2106 -2.070526 9.019953 
1 1 1   22    2   23 o   85.300   4.4693   75.294   7.5335 4.600227 8.938690 
1 1 1   22    2   24 o   16.873   5.8783   2.3048   6.9212 -2.280805 11.75651 
1 1 1   22    2   25 o   53.104   7.7954   32.370   8.3103 29.63790 15.59087 
1 1 1   22    3    0 o   29.568   12.365   10.471   12.193 0.000000 0.000000 
1 1 1   22    3    1 o   56.547   9.5948   33.572   10.709 5.112507 19.18960 
1 1 1   22    3    2 o  301.947   6.4992  955.699   33.063 -24.78122 12.99845 
1 1 1   22    3    4 o  187.903   6.7206  354.348   25.257      ?      ? 
1 1 1   22    3    5 o  189.728   3.9522  361.111   14.989 -2.746658 7.904498 
1 1 1   22    3    6 o  161.367   3.3620  261.049   10.840 -0.4027710 6.723978 
1 1 1   22    3    7 o  111.262   3.8352  124.296   8.5254 -1.648743 7.670491 
1 1 1   22    3    8 o   99.861   4.1679  100.345   8.3076 -6.676811 8.335727 
1 1 1   22    3    9 o   20.417   6.9450 -16.8620   8.2212 0.8815727 13.88990 
1 1 1   22    3   10 o  145.544   3.6447  210.844   10.406 6.044449 7.289469 
1 1 1   22    3   11 o  288.805   4.3338  837.750   24.693 3.731781 8.667677 
1 1 1   22    3   12 o  111.245   4.2773  125.460   9.2967 -4.413277 8.554680 
1 1 1   22    3   13 o  102.524   4.3989  104.145   8.6993 6.145927 8.797844 
1 1 1   22    3   14 o   24.788   11.796 -19.2136   15.936      ?      ? 
1 1 1   22    3   15 o  219.604   4.3023  491.747   17.661 -6.129776 8.604533 
1 1 1   22    3   16 o   60.600   8.0679   37.431   8.8831 4.412838 16.13585 
1 1 1   22    3   17 o   42.507   9.3766   19.743   8.7245 -5.393951 18.75324 
1 1 1   22    3   18 o   56.851   8.4964   36.810   8.2360 -9.241638 16.99275 
1 1 1   22    3   19 f   29.455   9.4962  -0.3843   8.6560 7.764788 18.99248 
1 1 1   22    3   20 o   54.549   10.376   40.577   8.3449 -19.14563 20.75281 
1 1 1   22    3   21 o  166.858   7.1161  281.265   23.747      ?      ? 
1 1 1   22    3   22 o   51.834   9.5134   27.842   7.5507 1.471092 19.02684 
1 1 1   22    3   23 o   93.430   6.1943   88.319   7.6946 1.928490 12.38855 
1 1 1   22    3   24 o   17.161   8.3879 -17.1369   9.5686      ?      ? 
1 1 1   22    4    0 o  614.895   12.640  3811.07  155.293 0.000000 0.000000 
1 1 1   22    4    1 o  233.012   4.7170  543.515   21.525 2.935394 9.434058 
1 1 1   22    4    2 o   28.428   9.0167 -17.4142   11.407 16.10142 18.03343 
1 1 1   22    4    3 o  214.552   4.1210  468.993   16.246 -8.888535 8.241993 
1 1 1   22    4    4 o  271.528   4.6285  730.962   22.231 7.047089 9.256989 
1 1 1   22    4    5 o   98.367   5.1762  101.721   9.0540 -10.43912 10.35234 
1 1 1   22    4    6 o  120.534   4.3712  144.577   9.4775 2.390640 8.742427 
1 1 1   22    4    7 o  100.987   4.8935  101.653   8.9671 2.053284 9.786967 
1 1 1   22    4    8 o   45.071   8.9059   22.846   8.3477 -11.74572 17.81188 
1 1 1   22    4    9 o  162.858   3.4974  269.894   10.988 -9.299347 6.994734 
1 1 1   22    4   10 o  149.915   3.5039  226.297   10.150 -1.638290 7.007889 
1 1 1   22    4   11 o  258.482   4.0158  673.556   20.606 -6.679611 8.031659 
1 1 1   22    4   12 o   52.065   8.1969   27.203   8.6259 23.29992 16.39376 
1 1 1   22    4   13 o  180.206   6.9031  327.525   24.880      ?      ? 
1 1 1   22    4   14 o   71.010   6.1362   52.199   8.5098 -5.036179 12.27249 
1 1 1   22    4   15 o  195.429   3.8529  385.366   15.053 -7.306366 7.705708 
1 1 1   22    4   16 o   96.486   4.4316   92.946   8.2276 5.052483 8.863177 
1 1 1   22    4   17 o  106.332   5.0181  111.243   9.6437 7.776596 10.03613 
1 1 1   22    4   18 o   41.015   11.107   13.188   9.4361 11.73858 22.21429 
1 1 1   22    4   19 o   84.834   6.3429   80.438   8.0940 -12.10600 12.68584 
1 1 1   22    4   20 o   60.851   11.284   39.223   13.218      ?      ? 
1 1 1   22    4   21 o   69.055   11.246   61.239   10.222 -8.097404 22.49184 
1 1 1   22    4   22 o   32.737   9.6589   6.3788   8.0617 9.593361 19.31782 
1 1 1   22    4   23 o   78.828   6.6532   68.314   6.7534 -6.687691 13.30649 
1 1 1   22    4   24 o  144.181   6.4453  210.276   18.586      ?      ? 
1 1 1   22    5    0 o  331.717   7.7616  1128.65   49.386 0.000000 0.000000 
1 1 1   22    5    1 o  257.755   3.7786  666.583   19.477 -0.8731995 7.557184 
1 1 1   22    5    2 o  322.571   4.3575  1045.27   28.112 0.8910217 8.715077 
1 1 1   22    5    3 o   46.913   10.115   23.016   10.248 -3.968033 20.23058 
1 1 1   22    5    4 o  127.523   4.5969  162.328   11.411 3.849503 9.193731 
1 1 1   22    5    5 o  263.506   4.0539  698.256   21.132 -2.203705 8.107814 
1 1 1   22    5    6 o  264.824   4.0625  705.207   21.287 -2.183472 8.124990 
1 1 1   22    5    7 o   99.598   4.3481   99.448   8.4100 1.054535 8.696153 
1 1 1   22    5    8 o  179.028   3.4198  322.914   11.872 -2.832993 6.839503 
1 1 1   22    5    9 o  113.750   4.0049  130.421   8.7922 -1.183907 8.009742 
1 1 1   22    5   10 o  140.096   3.7293  200.092   10.031 -7.980667 7.458610 
1 1 1   22    5   11 o  141.102   3.9855  200.594   11.047 -1.049408 7.971074 
1 1 1   22    5   12 o  161.683   7.1127  263.848   23.000      ?      ? 
1 1 1   22    5   13 o   77.734   5.9705   62.869   8.3271 -4.189583 11.94101 
1 1 1   22    5   14 f  159.965   4.1133  259.738   12.878 -4.419113 8.226599 
1 1 1   22    5   15 o  106.599   4.8760  115.105   10.257 2.333092 9.752018 
1 1 1   22    5   16 o   40.996   9.2250   18.251   8.5348 -6.450665 18.44996 
1 1 1   22    5   17 o  150.354   5.1589  225.742   12.149 3.775757 10.31788 
1 1 1   22    5   18 o  166.090   3.9527  271.819   11.222 8.328369 7.905342 
1 1 1   22    5   19 o   85.916   7.7768   68.238   9.7913 13.15137 15.55352 
1 1 1   22    5   20 o   30.916   9.8928 -27.4255   11.190 28.87164 19.78567 
1 1 1   22    5   21 o   49.795   10.044   28.900   8.3750 -7.278133 20.08724 
1 1 1   22    5   22 o   71.226   9.4018   49.680   7.2340 5.613106 18.80357 
1 1 1   22    6    0 f  242.227   5.1743  590.485   25.008 0.000000 0.000000 
1 1 1   22    6    1 o  170.960   3.7146  294.263   12.573 -3.966812 7.429290 
1 1 1   22    6    2 o  173.447   3.6902  303.064   12.665 -4.787155 7.380447 
1 1 1   22    6    3 o   53.759   8.2925   30.186   8.6797 -12.50948 16.58497 
1 1 1   22    6    4 o   72.392   5.6443   52.995   8.1510 -5.417587 11.28870 
1 1 1   22    6    5 o  136.583   3.7019  187.515   10.025 1.013702 7.403818 
1 1 1   22    6    6 o  187.869   3.2918  353.578   12.355 -7.956024 6.583584 
1 1 1   22    6    7 o   38.930   9.1508   14.751   8.2740 3.218422 18.30169 
1 1 1   22    6    8 o  132.854   3.6062  177.126   9.2944 0.2766724 7.212451 
1 1 1   22    6    9 o   85.544   4.9963   74.627   8.1866 -3.142265 9.992594 
1 1 1   22    6   10 o  146.211   4.2350  221.736   11.659 -14.96692 8.469989 
1 1 1   22    6   11 o  124.731   4.8103  165.219   10.980 -18.20396 9.620613 
1 1 1   22    6   12 o  114.133   4.4486  131.955   10.139 -2.045204 8.897169 
1 1 1   22    6   13 o   61.828   7.1423   39.329   8.5801 10.61254 14.28455 
1 1 1   22    6   14 o   64.589   7.3331   44.823   9.0203 -14.28017 14.66624 
1 1 1   22    6   15 o  106.344   6.8989  118.928   14.053 7.412636 13.79772 
1 1 1   22    6   16 o   46.725   8.8120   24.243   8.5350 -10.67490 17.62403 
1 1 1   22    6   17 o  119.753   3.8847  147.130   9.0184 -5.990540 7.769474 
1 1 1   22    6   18 o   59.096   8.7690   34.184   8.9111 14.81844 17.53791 
1 1 1   22    6   19 o   18.159   9.0105 -29.1045   12.417      ?      ? 
1 1 1   22    6   20 o   36.219   9.0009   13.537   8.2134 -5.594532 18.00176 
1 1 1   22    6   21 f   24.217   7.7266  -3.4441   7.7537 1.996777 15.45319 
1 1 1   22    6   23 o   23.336   7.7790 -13.6615   8.9355 12.04854 15.55792 
1 1 1   22    7    0 o  187.913   5.9993  363.904   21.458 0.000000 0.000000 
1 1 1   22    7    1 o  107.038   4.5087  115.456   9.5109 -0.4078903 9.017308 
1 1 1   22    7    2 o  142.307   3.7949  204.210   10.669 -3.162720 7.589811 
1 1 1   22    7    3 o  147.340   3.4589  217.946   10.188 -6.434647 6.917804 
1 1 1   22    7    4 o  136.096   3.8539  185.229   10.327 3.563354 7.707778 
1 1 1   22    7    5 o  149.983   3.6380  225.632   10.805 1.311905 7.276073 
1 1 1   22    7    6 f  151.411   3.3887  230.294   10.260 -3.628708 6.777426 
1 1 1   22    7    7 f   51.154   7.8286   27.791   7.9844 -16.84687 15.65723 
1 1 1   22    7    8 o  168.923   3.8267  286.470   12.920 5.613617 7.653341 
1 1 1   22    7    9 o   39.247   8.8425   15.686   8.4135 -13.06202 17.68493 
1 1 1   22    7   10 o  135.845   3.4670  186.034   9.4123 -3.888794 6.933982 
1 1 1   22    7   11 o   63.453   6.5306   41.075   8.1687 1.448605 13.06112 
1 1 1   22    7   12 o  151.420   3.8323  231.574   11.581 -13.17220 7.664505 
1 1 1   22    7   13 o   40.947   9.1079   17.215   8.7193 -12.96204 18.21581 
1 1 1   22    7   14 o   44.108   10.446   20.573   10.843 -0.4433823 20.89191 
1 1 1   22    7   15 o  203.286   4.3182  419.049   16.998 1.053665 8.636440 
1 1 1   22    7   16 o   57.405   7.1152   35.478   7.4688 -3.365356 14.23048 
1 1 1   22    7   17 o   24.042   7.8110 -20.3866   7.4492 21.97207 15.62206 
1 1 1   22    7   18 o  150.928   4.7287  227.454   13.638 5.573792 9.457469 
1 1 1   22    7   19 o   80.271   5.1207   67.196   7.5846 -3.520096 10.24144 
1 1 1   22    7   20 o   64.475   6.5498   48.073   7.2424 -15.97968 13.09951 
1 1 1   22    7   21 o   38.941   7.3588   41.552   6.7726 -21.59763 14.71767 
1 1 1   22    7   22 o   70.580   8.0298   55.595   10.573 -20.34402 16.05953 
1 1 1   22    8    0 o  104.189   5.9315  111.545   12.178 0.000000 0.000000 
1 1 1   22    8    1 o  156.293   3.7403  245.936   11.489 1.040222 7.480623 
1 1 1   22    8    2 o   30.365   8.5151   4.3527   7.9425 -7.642818 17.03011 
1 1 1   22    8    3 o  126.563   4.3992  161.312   11.130 -5.391678 8.798331 
1 1 1   22    8    4 o  170.116   4.8647  281.667   16.254 33.58763 9.729377 
1 1 1   22    8    5 f  118.414   4.3249  141.903   10.185 8.186089 8.649729 
1 1 1   22    8    6 o  153.305   3.8424  238.102   11.579 -6.133698 7.684850 
1 1 1   22    8    7 o  175.339   3.3726  309.561   11.819 -2.147797 6.745194 
1 1 1   22    8    8 f  189.670   3.3365  362.065   12.652 1.592636 6.673064 
1 1 1   22    8    9 o   54.356   7.7977   31.272   8.1578 -8.021465 15.59536 
1 1 1   22    8   10 o  105.773   4.8308  113.079   9.6486 -1.171219 9.661627 
1 1 1   22    8   11 o   90.522   4.8322   84.179   8.6497 9.159363 9.664423 
1 1 1   22    8   12 o  121.417   4.5358  147.763   9.7841 2.659622 9.071557 
1 1 1   22    8   13 o  120.751   4.0366  146.817   9.6360 5.287994 8.073239 
1 1 1   22    8   14 o   44.362   9.7372   20.932   9.0948 4.975307 19.47442 
1 1 1   22    8   15 o   84.422   5.5118   69.189   7.9697 9.499336 11.02364 
1 1 1   22    8   16 o  156.912   4.2284  243.372   12.523 8.658890 8.456798 
1 1 1   22    8   17 o   30.143   8.9074  -0.6423   8.4744 17.21735 17.81488 
1 1 1   22    8   18 o   66.450   6.0624   46.096   7.5114 -0.4014053 12.12482 
1 1 1   22    8   19 o   25.208   7.8969  -1.3579   7.4694 5.301537 15.79373 
1 1 1   22    8   21 o   22.427   7.5930 -14.1207   9.0066 3.771992 15.18593 
1 1 1   22    9    0 o  102.599   5.7556  108.298   11.658 0.000000 0.000000 
1 1 1   22    9    1 o   82.269   4.7831   68.611   7.8698 0.4757614 9.566219 
1 1 1   22    9    2 o   95.764   4.7028   92.812   8.9070 -0.7609024 9.405621 
1 1 1   22    9    3 o   61.685   7.6177   44.433   8.5266 29.48410 15.23545 
1 1 1   22    9    4 o   70.049   6.0732   49.813   8.4432 -3.361710 12.14636 
1 1 1   22    9    5 o  163.237   4.2944  269.334   13.925 0.2425079 8.588885 
1 1 1   22    9    6 o  111.065   4.4119  124.609   9.7893 -6.903702 8.823741 
1 1 1   22    9    7 o   77.719   6.1938   60.527   9.1491 -5.299004 12.38752 
1 1 1   22    9    8 o  223.508   3.7714  505.260   16.717 2.315460 7.542795 
1 1 1   22    9    9 o   67.565   6.0288   47.365   8.0409 6.571854 12.05751 
1 1 1   22    9   10 o   33.366   8.4453   10.271   7.2811 -5.404993 16.89057 
1 1 1   22    9   11 o   57.058   8.3555   45.602   8.5833 -34.31479 16.71094 
1 1 1   22    9   12 o   65.739   6.6559   45.574   8.6305 -7.242924 13.31177 
1 1 1   22    9   13 o  107.666   4.0949  116.258   8.5880 7.160057 8.189740 
1 1 1   22    9   14 o  124.493   4.0506  149.655   9.6147 17.76337 8.101252 
1 1 1   22    9   15 o   71.869   10.543   52.819   15.154      ?      ? 
1 1 1   22    9   16 o   59.424   6.6282   37.023   7.5785 15.29770 13.25632 
1 1 1   22    9   17 o   33.535   8.6223   11.115   7.3970 1.331623 17.24455 
1 1 1   22    9   18 o   85.454   5.0185   76.827   8.4433 -10.27176 10.03699 
1 1 1   22    9   19 o   18.722   6.6067 -37.0051   10.213 0.3248310 13.21347 
1 1 1   22   10    0 o   28.385   11.926   7.5693   11.346 0.000000 0.000000 
1 1 1   22   10    1 o  110.973   3.9503  124.729   8.7208 -1.934364 7.900561 
1 1 1   22   10    2 o   87.585   4.7213   77.439   8.2307 5.522156 9.442588 
1 1 1   22   10    3 o  144.866   3.5902  212.461   10.298 -3.537964 7.180377 
1 1 1   22   10    4 o   78.263   5.6305   62.767   8.7950 4.058121 11.26105 
1 1 1   22   10    5 o  118.492   4.2528  139.302   9.6687 8.083473 8.505529 
1 1 1   22   10    6 f   74.661   7.6419   57.238   10.604 2.357735 15.28383 
1 1 1   22   10    7 o   62.385   9.3746   44.851   10.682 -12.27813 18.74915 
1 1 1   22   10    8 o   85.335   5.2408   75.432   8.7583 -6.103729 10.48155 
1 1 1   22   10    9 o   69.503   6.7880   52.973   8.6271 -12.47165 13.57605 
1 1 1   22   10   10 o   72.087   5.3621   53.818   7.6795 -6.452660 10.72425 
1 1 1   22   10   11 o   44.371   8.4036   22.568   7.6482 -5.230888 16.80714 
1 1 1   22   10   12 o   23.995   11.721 -33.1992   18.606      ?      ? 
1 1 1   22   10   14 o   56.946   7.2564   37.565   7.8436 -14.12046 14.51276 
1 1 1   22   10   15 o   40.158   8.6143   15.908   7.6909 18.76326 17.22856 
1 1 1   22   10   16 o   49.487   8.3615   28.018   8.1814 -7.143898 16.72290 
1 1 1   22   10   17 o   17.506   6.1623   58.110   8.7192 2.422882 12.32452 
1 1 1   22   10   18 o   54.367   16.444   32.339   19.397      ?      ? 
1 1 1   22   11    0 o  132.218   4.9576  176.796   12.982 0.000000 0.000000 
1 1 1   22   11    1 o   41.923   8.4718   19.091   7.4068 -1.724079 16.94367 
1 1 1   22   11    2 o   57.218   6.7904   34.397   7.5459 -0.4449158 13.58072 
1 1 1   22   11    3 o   74.690   5.3395   57.474   7.9011 3.529266 10.67895 
1 1 1   22   11    4 o   36.864   8.8933   11.257   8.1697 -16.90156 17.78669 
1 1 1   22   11    5 o   31.070   8.6092   6.7438   7.9759 4.530762 17.21836 
1 1 1   22   11    6 o  118.182   4.4216  142.882   10.090 2.041290 8.843257 
1 1 1   22   11    7 o  107.902   4.6736  119.407   10.067 0.6858826E-02 9.347237 
1 1 1   22   11    8 o   86.808   5.9261   79.068   10.278 1.399200 11.85217 
1 1 1   22   11    9 o   83.461   8.3957   75.161   13.210 -18.59437 16.79134 
1 1 1   22   11   10 o  200.378   7.8183  405.907   31.332      ?      ? 
1 1 1   22   11   11 o   42.528   10.548   17.085   12.123 -24.84709 21.09573 
1 1 1   22   11   12 o   83.453   5.2339   71.764   8.7258 -3.347733 10.46785 
1 1 1   22   11   13 o   93.204   4.7937   89.470   8.9086 -4.097763 9.587318 
1 1 1   22   11   14 o   27.030   8.2580   1.1166   8.1645 0.2921600 16.51606 
1 1 1   22   11   15 o   16.987   5.9827   7.6511   8.1485 -1.162210 11.96543 
1 1 1   22   11   16 o  163.071   7.4021  269.417   24.141      ?      ? 
1 1 1   22   12    0 o   21.475   10.093  -4.1016   11.315 0.000000 0.000000 
1 1 1   22   12    1 o   81.125   5.7543   68.113   9.3226 -5.572792 11.50851 
1 1 1   22   12    2 o   98.810   6.3368  108.435   11.543 29.83949 12.67357 
1 1 1   22   12    4 o   59.837   9.0386   37.780   10.473 12.15954 18.07719 
1 1 1   22   12    5 o   84.444   11.309   72.943   19.100      ?      ? 
1 1 1   22   12    6 o  152.115   7.5905  234.118   23.093      ?      ? 
1 1 1   22   12    7 o   32.521   9.6685   2.9141   11.463 8.531548 19.33694 
1 1 1   22   12    8 o   27.282   8.5285  -1.2809   9.0972 -7.531658 17.05691 
1 1 1   22   12    9 o   70.717   7.4567   54.062   10.139 -16.44288 14.91335 
1 1 1   22   12   10 o   39.979   9.1742   14.166   9.9611 -24.83972 18.34831 
1 1 1   22   12   11 o   77.514   6.3473   63.525   9.7785 3.462646 12.69457 
1 1 1   22   12   12 o   39.580   9.4471   17.112   8.9335 -10.51460 18.89417 
1 1 1   22   12   13 o   23.918   7.9707 -12.6708   10.018 0.1250324 15.94145 
1 1 1   22   12   14 o   52.455   9.3036   30.728   11.608 33.26048 18.60725 
1 1 1   22   13    0 o   72.572   11.331   66.304   13.719 0.000000 0.000000 
1 1 1   22   13    1 o   66.800   6.2235   47.128   8.2192 -7.907204 12.44700 
1 1 1   22   13    2 o   80.250   5.6952   65.873   8.8496 4.220444 11.39049 
1 1 1   22   13    3 o   62.941   7.5192   44.232   8.8499 -9.711723 15.03845 
1 1 1   22   13    4 o   65.312   6.2727   45.213   8.1772 1.615982 12.54533 
1 1 1   22   13    5 o   34.863   8.8635   12.302   7.9085 -3.362839 17.72704 
1 1 1   22   13    6 o   58.582   7.1852   37.308   8.2299 -5.087158 14.37037 
1 1 1   22   13    7 o   81.158   5.7328   70.316   9.1487 10.58433 11.46560 
1 1 1   22   13    8 o   38.644   9.0485   16.263   8.3518 -9.530014 18.09691 
1 1 1   22   13    9 o   20.223   6.9142   24.728   8.5313 -0.3451099 13.82832 
1 1 1   22   13   10 o   29.201   9.5434 -20.6074   10.760 -22.60918 19.08674 
1 1 1   22   13   11 o   62.289   8.1039   59.917   12.805 65.76371 16.20776 
1 1 1   22   14    3 o   69.503   7.9357   62.294   10.221 -20.03240 15.87149 
1 1 1   22   14    4 o   37.637   9.7409   11.835   9.3221 -11.49555 19.48182 
1 1 1   22   14    5 o  119.016   5.8907  152.966   13.148 36.58423 11.78135 
1 1 1   22   14    6 o  112.397   5.6180  111.944   11.783 -47.19790 11.23608 
1 1 1   22   14    7 o   24.730   7.9673  -6.3820   9.4234 7.727716 15.93453 
1 1 1   23    0    1 o   27.420   12.742  -1.9281   16.986 0.000000 0.000000 
1 1 1   23    0    2 f   36.309   13.710   17.554   13.426 0.000000 0.000000 
1 1 1   23    0    4 o  171.657   5.3286  295.448   16.178 0.000000 0.000000 
1 1 1   23    0    5 o   60.356   11.269   42.693   10.840 0.000000 0.000000 
1 1 1   23    0    6 o   21.440   10.155  -3.6935   10.486 0.000000 0.000000 
1 1 1   23    0    7 o   85.648   7.0753   76.785   10.815 0.000000 0.000000 
1 1 1   23    0    8 o   22.135   10.328  -1.4737   10.311 0.000000 0.000000 
1 1 1   23    0    9 o   49.895   12.287   33.696   10.778 0.000000 0.000000 
1 1 1   23    0   10 o  148.847   5.3265  230.852   14.329 0.000000 0.000000 
1 1 1   23    0   11 o   30.456   11.841   13.314   10.764 0.000000 0.000000 
1 1 1   23    0   12 o  150.016   5.4641  229.387   14.637 0.000000 0.000000 
1 1 1   23    0   13 o  123.874   7.9843  151.576   18.842 0.000000 0.000000 
1 1 1   23    0   14 o  104.501   6.2990  106.568   12.005 0.000000 0.000000 
1 1 1   23    0   15 o  183.344   5.2812  348.983   17.722 0.000000 0.000000 
1 1 1   23    0   16 o   20.731   9.9648  -6.9567   12.110 0.000000 0.000000 
1 1 1   23    0   17 o  109.026   6.2381  120.887   13.509 0.000000 0.000000 
1 1 1   23    0   18 o  124.333   5.7793  154.061   13.554 0.000000 0.000000 
1 1 1   23    0   19 o   26.789   11.622   8.3402   11.177 0.000000 0.000000 
1 1 1   23    0   20 o  201.610   5.7002  409.268   22.944 0.000000 0.000000 
1 1 1   23    0   21 o   12.157   8.9364 -24.6120   12.354 0.000000 0.000000 
1 1 1   23    0   22 o   89.870   7.2553   83.901   12.875 0.000000 0.000000 
1 1 1   23    0   23 o   21.601   9.9378   0.6900   9.4305 0.000000 0.000000 
1 1 1   23    0   24 o  228.064   6.8196  523.321   30.802 0.000000 0.000000 
1 1 1   23    1    0 o  178.109   6.1120  317.036   20.489 0.000000 0.000000 
1 1 1   23    1    1 f  116.895   5.5964  145.639   12.312 -34.81303 11.19277 
1 1 1   23    1    2 o  183.780   4.2312  342.444   14.766 -6.660828 8.462317 
1 1 1   23    1    3 f  299.890   4.7971  903.133   28.767 2.491913 9.594283 
1 1 1   23    1    4 o  123.378   3.8454  151.333   9.1392 -3.932472 7.690832 
1 1 1   23    1    5 o  232.481   3.6325  539.321   16.247 -4.153381 7.265050 
1 1 1   23    1    6 o   65.157   6.0250   43.104   7.5244 1.649597 12.04991 
1 1 1   23    1    7 o   39.152   8.6011   15.380   7.2699 -2.572430 17.20227 
1 1 1   23    1    8 o   62.850   5.9973   39.844   7.5343 -2.810616 11.99456 
1 1 1   23    1    9 o   63.210   5.9706   40.351   7.5435 -3.088768 11.94125 
1 1 1   23    1   10 o   50.661   7.8170   27.303   7.7186 8.865967 15.63410 
1 1 1   23    1   11 o  188.367   3.3298  355.856   12.539 4.220901 6.659516 
1 1 1   23    1   12 o   42.686   8.7029   19.248   7.8377 0.1082230 17.40578 
1 1 1   23    1   13 o  133.235   6.6278  144.869   14.011 -121.1210 13.25562 
1 1 1   23    1   14 o   33.437   8.1151   7.8543   7.5528 18.08505 16.23030 
1 1 1   23    1   15 o  236.422   3.8621  563.184   18.025 1.488724 7.724201 
1 1 1   23    1   16 o   24.824   8.1842 -11.0821   9.7358 2.078371 16.36841 
1 1 1   23    1   17 o  105.053   4.1249  111.225   8.5673 3.260208 8.249769 
1 1 1   23    1   18 o   81.242   6.6378   69.112   10.666 12.82278 13.27570 
1 1 1   23    1   19 o   28.833   8.4885   2.9685   8.2454 -4.164270 16.97695 
1 1 1   23    1   21 o   37.860   7.4514   13.706   8.7619 -34.27888 14.90287 
1 1 1   23    1   22 o  104.312   4.0272  111.208   8.3850 -3.115143 8.054501 
1 1 1   23    1   23 o   90.038   4.0888   82.762   7.3049 -5.049515 8.177545 
1 1 1   23    1   24 o  306.230   5.8885  954.751   36.064 2.431854 11.77702 
1 1 1   23    2    0 o  250.328   7.5910  630.080   37.928 0.000000 0.000000 
1 1 1   23    2    1 o  196.036   4.3648  380.573   15.909 6.755753 8.729685 
1 1 1   23    2    2 o  196.894   3.4898  388.533   13.740 -5.656265 6.979603 
1 1 1   23    2    3 o  196.238   4.1635  385.657   15.417 1.120636 8.327094 
1 1 1   23    2    4 o  155.497   3.6471  242.215   11.205 1.232483 7.294262 
1 1 1   23    2    5 o   66.063   6.1226   44.012   8.0280 10.96001 12.24525 
1 1 1   23    2    6 o   99.269   4.1448   99.002   8.2280 -0.7372131 8.289664 
1 1 1   23    2    7 o  181.794   3.2493  331.380   11.813 -3.602005 6.498584 
1 1 1   23    2    8 o  147.178   3.3445  217.245   9.8414 0.9096527 6.688910 
1 1 1   23    2    9 o  173.949   3.2626  303.405   11.341 3.029800 6.525214 
1 1 1   23    2   10 o  187.652   3.2582  353.487   12.226 -1.543869 6.516306 
1 1 1   23    2   11 o   89.687   4.9364   82.009   8.7480 8.768623 9.872739 
1 1 1   23    2   12 o  356.977   5.1400  1288.57   36.392 -3.582428 10.28000 
1 1 1   23    2   13 o   20.169   10.078 -45.3341   16.914      ?      ? 
1 1 1   23    2   14 o  135.484   3.8120  186.781   10.204 -9.099106 7.624022 
1 1 1   23    2   15 o   61.635   8.0963   41.334   8.8659 -6.470383 16.19260 
1 1 1   23    2   16 o   51.206   8.6515   28.660   8.7511 -2.914387 17.30306 
1 1 1   23    2   17 o   59.216   6.9879   39.676   7.5775 23.28414 13.97587 
1 1 1   23    2   18 o   85.633   5.4867   73.530   9.0309 -6.696846 10.97337 
1 1 1   23    2   19 o  110.190   4.2850  124.530   9.0699 1.329308 8.570090 
1 1 1   23    2   20 o   49.686   14.630   26.146   15.505      ?      ? 
1 1 1   23    2   21 o   79.707   4.9361   67.110   7.8061 -9.947433 9.872270 
1 1 1   23    2   22 o   65.058   5.6102   44.356   7.2693 4.275608 11.22050 
1 1 1   23    2   23 o   25.559   7.4019   4.8351   6.8717 11.06893 14.80373 
1 1 1   23    2   24 o   58.573   7.4261   37.359   8.3608 -14.61035 14.85217 
1 1 1   23    3    0 o  131.052   7.6922  174.089   20.017 0.000000 0.000000 
1 1 1   23    3    1 o  172.173   4.2212  289.639   13.638 -12.82271 8.442334 
1 1 1   23    3    2 o   77.511   9.6691   72.871   12.178 -27.51659 19.33823 
1 1 1   23    3    3 o  159.374   3.7139  254.760   11.694 0.2657318 7.427872 
1 1 1   23    3    4 o   75.030   5.5801   56.862   8.3386 -8.296310 11.16020 
1 1 1   23    3    5 o   50.189   8.3392   26.677   8.1977 -0.3350830 16.67847 
1 1 1   23    3    6 f  142.769   3.6131  204.364   10.238 1.003571 7.226203 
1 1 1   23    3    7 o  209.645   3.6010  440.064   14.923 3.013779 7.202034 
1 1 1   23    3    8 o  113.697   3.9943  129.577   9.0198 2.460518 7.988697 
1 1 1   23    3    9 o  168.914   3.3004  286.206   11.143 -7.988342 6.600850 
1 1 1   23    3   10 o  110.238   3.9031  122.143   8.5993 -5.392586 7.806163 
1 1 1   23    3   11 o  100.049   4.9292  105.417   9.3949 31.66103 9.858493 
1 1 1   23    3   12 o  196.838   3.9912  387.491   15.664 -20.50162 7.982351 
1 1 1   23    3   13 o   31.209   8.0509  -4.8287   9.1096 -25.79114 16.10186 
1 1 1   23    3   14 o  144.972   3.9182  211.654   11.346 5.055038 7.836454 
1 1 1   23    3   15 o  116.864   4.9956  137.232   11.305 5.284782 9.991260 
1 1 1   23    3   16 o  100.724   4.9287   99.576   8.8864 7.255302 9.857480 
1 1 1   23    3   17 o  164.494   5.4457  274.323   12.289 -0.3791199 10.89135 
1 1 1   23    3   18 o  179.846   4.0631  322.816   13.132 6.205231 8.126180 
1 1 1   23    3   19 o   37.130   9.3901   13.732   7.7519 1.433765 18.78021 
1 1 1   23    3   20 o  205.405   6.4870  284.474   19.359 107.6469 12.97398 
1 1 1   23    3   21 o   52.160   9.2301   29.674   7.4297 -2.607765 18.46027 
1 1 1   23    3   22 o   50.471   9.3646   23.070   7.8904 20.41071 18.72913 
1 1 1   23    4    0 o   23.788   10.848   0.0123   12.109 0.000000 0.000000 
1 1 1   23    4    1 o  118.909   4.9014  139.598   10.938 -6.167679 9.802787 
1 1 1   23    4    2 o  208.844   3.7093  437.440   15.319 0.9945221 7.418513 
1 1 1   23    4    3 o   87.942   5.1382   77.542   9.0009 -4.208054 10.27634 
1 1 1   23    4    4 o   80.636   5.8824   65.457   9.4696 6.727425 11.76480 
1 1 1   23    4    5 o   39.557   9.2021   15.475   8.4158 -2.342255 18.40415 
1 1 1   23    4    6 f  191.109   3.4951  366.252   12.875 0.3840790 6.990274 
1 1 1   23    4    7 o  240.328   3.7270  579.733   17.276 0.6077423 7.453980 
1 1 1   23    4    8 o  168.516   3.4760  287.923   11.351 -7.049927 6.951965 
1 1 1   23    4    9 o   75.792   5.4292   56.289   7.9915 8.861740 10.85839 
1 1 1   23    4   10 o   60.789   7.8052   38.129   8.5398 0.1075058 15.61035 
1 1 1   23    4   11 o   98.486   6.2312   98.255   12.179 16.38814 12.46240 
1 1 1   23    4   12 o   15.537   7.7460 -25.2336   9.7298      ?      ? 
1 1 1   23    4   13 o   84.210   5.8996   74.678   9.3864 -9.985497 11.79915 
1 1 1   23    4   14 o  107.374   5.6031  117.323   12.003 -4.816208 11.20628 
1 1 1   23    4   15 o   50.545   8.3618   30.045   8.5287 -19.85485 16.72353 
1 1 1   23    4   16 o  125.901   4.7989  161.269   11.614 0.1052017 9.597872 
1 1 1   23    4   17 o   42.457   8.3898   20.876   7.6687 -12.96165 16.77963 
1 1 1   23    4   18 o   42.165   9.6744   18.138   7.8670 5.710323 19.34879 
1 1 1   23    4   19 o  201.959   5.7657  410.530   23.289      ?      ? 
1 1 1   23    4   20 o   74.060   7.5053   49.210   8.6980 25.94640 15.01067 
1 1 1   23    4   21 o   68.565   11.182   45.388   7.8058 6.532936 22.36366 
1 1 1   23    4   22 o   94.849   5.7339   89.352   7.8450 4.965858 11.46784 
1 1 1   23    4   23 o  187.315   4.5147  360.267   15.966 -10.55292 9.029331 
1 1 1   23    5    0 o  143.096   5.1088  207.064   14.541 0.000000 0.000000 
1 1 1   23    5    1 o   99.572   5.5556  101.507   10.246 -4.473289 11.11120 
1 1 1   23    5    2 o  231.659   4.1184  537.578   19.030 9.036957 8.236745 
1 1 1   23    5    3 o  340.158   5.4138  1165.04   32.987 0.3219604E-01 10.82759 
1 1 1   23    5    4 o  220.426   3.6121  488.879   15.395 -1.990692 7.224159 
1 1 1   23    5    5 o  337.833   4.6441  1153.09   30.498 -4.639679 9.288271 
1 1 1   23    5    6 o   94.235   4.6429   91.424   8.4390 -8.969200 9.285853 
1 1 1   23    5    7 o  138.091   3.6974  193.166   9.8893 -5.069138 7.394839 
1 1 1   23    5    8 o  137.820   3.8403  191.757   10.446 -3.573517 7.680581 
1 1 1   23    5    9 o   40.016   9.0930   14.264   8.5495 16.35909 18.18590 
1 1 1   23    5   10 o  167.266   3.7169  281.039   12.225 0.3470917 7.433866 
1 1 1   23    5   11 f   37.633   9.2059   13.801   8.4950 -4.068760 18.41186 
1 1 1   23    5   12 o   42.369   9.2019   18.970   8.6443 -6.099552 18.40377 
1 1 1   23    5   13 o  157.962   5.5386  251.424   15.062 -2.355789 11.07722 
1 1 1   23    5   14 o  120.763   4.8431  143.238   11.378 -16.80833 9.686232 
1 1 1   23    5   15 o   99.313   5.5841  100.507   11.058 8.247589 11.16825 
1 1 1   23    5   16 o   90.265   4.6418   83.904   8.1126 -4.543159 9.283525 
1 1 1   23    5   17 o   55.594   8.3859   31.865   7.6469 2.681110 16.77176 
1 1 1   23    5   19 o  130.294   4.2634  169.694   10.337 6.000946 8.526783 
1 1 1   23    5   20 o   60.942   6.5984   37.639   7.8382 11.93113 13.19687 
1 1 1   23    5   21 o  123.375   6.3228  143.891   9.5362 12.37636 12.64558 
1 1 1   23    5   22 o   14.338   7.1685 -22.9762   8.6233      ?      ? 
1 1 1   23    6    0 o  215.819   6.1194  464.997   24.746 0.000000 0.000000 
1 1 1   23    6    1 o  162.540   3.4269  265.255   11.139 -2.609863 6.853865 
1 1 1   23    6    2 o  165.411   3.7049  273.531   12.096 4.944946 7.409894 
1 1 1   23    6    3 o   97.932   4.8583   97.466   9.3641 -5.158005 9.716666 
1 1 1   23    6    4 o   82.985   6.3383   69.577   10.416 1.439133 12.67661 
1 1 1   23    6    5 o  100.840   4.1825  102.287   8.4343 1.455513 8.364964 
1 1 1   23    6    6 o   92.463   4.8682   87.470   8.8583 -8.831825 9.736500 
1 1 1   23    6    7 o   68.459   6.1707   46.631   8.2872 6.270905 12.34132 
1 1 1   23    6    8 o  213.739   3.7416  461.093   15.903 -10.53172 7.483194 
1 1 1   23    6    9 o   81.188   5.2557   66.570   8.2701 0.8105469 10.51149 
1 1 1   23    6   10 o  113.703   4.0274  129.799   8.7564 1.964767 8.054877 
1 1 1   23    6   11 o   58.976   7.3855   35.427   8.3929 17.41187 14.77097 
1 1 1   23    6   12 o   51.352   8.7062   29.037   8.8456 -6.177185 17.41241 
1 1 1   23    6   13 o  100.674   4.4841  102.848   8.7690 -0.4625549 8.968213 
1 1 1   23    6   14 o   85.240   5.8315   74.879   8.9363 -1.523895 11.66291 
1 1 1   23    6   15 o  105.415   4.0215  110.903   7.8952 4.117630 8.042996 
1 1 1   23    6   16 o   46.047   8.9238   22.575   7.7488 4.220997 17.84764 
1 1 1   23    6   17 o   23.217   7.6155 -12.1333   8.4283 8.838099 15.23091 
1 1 1   23    6   18 o   75.263   7.6828   52.106   10.802 25.10281 15.36556 
1 1 1   23    6   19 o  101.469   4.4360  107.846   8.0500 -6.578186 8.871975 
1 1 1   23    6   20 o   79.666   4.9039   64.217   7.3563 4.860634 9.807877 
1 1 1   23    6   22 o   28.366   8.7193   1.6323   9.0259 1.669008 17.43856 
1 1 1   23    7    0 o  247.415   5.2388  617.211   25.867 0.000000 0.000000 
1 1 1   23    7    1 o   82.519   5.7394   69.818   9.2656 5.355850 11.47884 
1 1 1   23    7    2 o  104.908   4.1914  110.844   8.7940 -0.9173126 8.382703 
1 1 1   23    7    3 o   48.859   7.6961   25.577   10.628 -46.15144 15.39212 
1 1 1   23    7    4 o  137.023   4.1508  188.789   11.358 1.237122 8.301588 
1 1 1   23    7    5 o   92.969   4.7735   87.498   8.8319 -9.602478 9.547054 
1 1 1   23    7    6 o  134.190   4.2516  180.984   11.381 -13.72041 8.503281 
1 1 1   23    7    7 o  182.620   3.3298  335.286   12.156 -7.410385 6.659540 
1 1 1   23    7    8 o   83.634   4.7712   70.925   7.9773 -2.986282 9.542317 
1 1 1   23    7    9 o   99.351   4.4495  100.321   8.7633 4.024864 8.898966 
1 1 1   23    7   10 o  115.858   4.8434  136.678   11.077 1.909042 9.686890 
1 1 1   23    7   11 o   51.447   8.1538   29.092   8.1238 -5.433449 16.30769 
1 1 1   23    7   12 o  111.832   4.6204  130.800   8.8405 -7.479172 9.240763 
1 1 1   23    7   13 o   74.439   6.4610   57.156   7.7961 -0.9679260 12.92198 
1 1 1   23    7   14 o  199.167   4.3729  396.955   16.817 12.03532 8.745771 
1 1 1   23    7   15 o   45.830   9.0471   22.778   8.1251 5.889576 18.09418 
1 1 1   23    7   16 o   38.983   9.0064   13.843   7.8388 11.81132 18.01287 
1 1 1   23    7   17 o  130.148   4.4834  172.240   11.641 -8.692467 8.966794 
1 1 1   23    7   18 o   67.264   5.7051   45.479   7.2956 6.673935 11.41022 
1 1 1   23    7   19 o   90.339   4.3334   83.739   7.5707 0.3762894 8.666819 
1 1 1   23    7   21 o   46.842   9.6839   22.651   8.7420 7.874340 19.36789 
1 1 1   23    8    0 o   19.498   9.3332  -9.6937   10.693 0.000000 0.000000 
1 1 1   23    8    1 o   52.148   7.6448   29.030   7.7161 -6.996998 15.28956 
1 1 1   23    8    2 o  134.557   3.8600  181.987   10.232 -2.244873 7.720070 
1 1 1   23    8    3 o   68.677   6.5248   49.283   8.6787 6.531326 13.04955 
1 1 1   23    8    4 o   35.394   8.8849   11.662   7.9132 -1.035877 17.76979 
1 1 1   23    8    5 o   44.995   9.7426   21.958   9.6743 -6.582966 19.48515 
1 1 1   23    8    6 o  102.717   4.4219  106.785   9.0590 0.8518219 8.843764 
1 1 1   23    8    7 o  162.989   3.5814  268.274   11.618 2.684341 7.162813 
1 1 1   23    8    8 o   98.433   4.5166   98.484   8.8385 1.900314 9.033100 
1 1 1   23    8    9 o  102.443   4.2989  106.448   8.7743 1.379028 8.597797 
1 1 1   23    8   10 o   41.642   8.2417   18.880   7.3959 -11.97025 16.48335 
1 1 1   23    8   11 o  116.707   4.7727  141.819   9.9205 -6.704582 9.545429 
1 1 1   23    8   12 o   66.908   6.4240   49.585   7.6688 -13.63852 12.84797 
1 1 1   23    8   13 o   49.390   8.4914   26.984   8.2910 4.763897 16.98277 
1 1 1   23    8   14 o   75.641   7.1982   69.429   7.9400 -21.17502 14.39645 
1 1 1   23    8   15 o  104.458   6.8145  120.072   12.879 -48.78046 13.62899 
1 1 1   23    8   16 o   38.016   9.6160   17.766   9.8920 -14.76234 19.23191 
1 1 1   23    8   17 o   40.271   8.7017   17.728   7.2185 3.690777 17.40345 
1 1 1   23    8   18 o   74.393   5.5479   59.245   7.8531 -6.806152 11.09586 
1 1 1   23    8   19 o   89.891   5.1162   95.059   8.7465 -21.83768 10.23248 
1 1 1   23    8   20 o   27.336   8.4457  -1.2790   9.3263 -6.607601 16.89141 
1 1 1   23    9    0 o   33.161   12.852   15.731   11.653 0.000000 0.000000 
1 1 1   23    9    1 o   59.235   7.2345   36.780   8.3911 -3.846321 14.46910 
1 1 1   23    9    2 f  105.285   4.4452  112.233   9.3544 -5.034210 8.890355 
1 1 1   23    9    3 o   70.849   5.8389   50.578   8.1414 17.91717 11.67785 
1 1 1   23    9    4 o   46.806   8.7395   23.983   8.2652 1.311554 17.47903 
1 1 1   23    9    5 o   38.769   7.6004   14.356   7.5104 -26.68416 15.20077 
1 1 1   23    9    6 o   85.073   6.9899   80.336   9.6460 -13.07736 13.97984 
1 1 1   23    9    7 o   39.353   9.8720   14.401   9.4554 6.842682 19.74405 
1 1 1   23    9    8 o  130.087   3.7071  170.790   9.5166 1.627182 7.414207 
1 1 1   23    9    9 o   39.632   9.2779   16.758   8.3740 -3.596382 18.55578 
1 1 1   23    9   10 o  106.478   3.8645  115.275   8.1970 -3.561089 7.728929 
1 1 1   23    9   11 o   71.868   5.6184   53.401   7.8513 -0.4814758 11.23670 
1 1 1   23    9   12 o   76.965   5.3792   61.041   8.2557 -8.107689 10.75844 
1 1 1   23    9   13 o   84.454   6.2510   68.188   10.206 -29.35523 12.50194 
1 1 1   23    9   14 o   34.896   9.1305   11.758   9.5251 -12.30214 18.26108 
1 1 1   23    9   15 o   41.918   8.5028   19.113   7.3529 5.590652 17.00558 
1 1 1   23    9   16 o   50.560   8.8421   28.938   8.7804 4.166744 17.68411 
1 1 1   23    9   17 o   30.008   8.5122   6.6581   7.5639 3.274168 17.02445 
1 1 1   23    9   18 o   76.185   7.7788   62.492   10.439 -49.56446 15.55761 
1 1 1   23   10    0 o   25.645   11.082   6.4555   10.983 0.000000 0.000000 
1 1 1   23   10    1 o   62.190   6.3609   39.983   7.9017 1.458157 12.72190 
1 1 1   23   10    2 o   52.884   7.4740   29.689   7.7613 -11.10030 14.94794 
1 1 1   23   10    3 o   74.383   5.5664   56.894   8.2105 -12.42043 11.13271 
1 1 1   23   10    4 o   48.502   7.6996   25.655   7.3012 6.006874 15.39927 
1 1 1   23   10    5 o   72.433   8.6148   60.711   9.6470 13.30966 17.22963 
1 1 1   23   10    6 o  103.873   4.3966  109.306   9.0155 -2.542458 8.793231 
1 1 1   23   10    7 o   49.703   8.4430   28.476   8.3632 -13.01839 16.88599 
1 1 1   23   10    8 o   60.674   9.3959   40.967   10.974 6.135338 18.79186 
1 1 1   23   10    9 f   57.953   7.0208   36.251   7.9032 -11.02534 14.04153 
1 1 1   23   10   10 o  158.143   4.1587  250.821   13.110 15.96532 8.317399 
1 1 1   23   10   11 o   69.668   12.459   51.323   16.734      ?      ? 
1 1 1   23   10   13 o   84.042   5.0344   72.289   8.4212 -5.962563 10.06885 
1 1 1   23   10   14 o  114.129   4.1930  133.162   9.5515 -3.864479 8.386033 
1 1 1   23   10   15 f   95.632   4.6666   94.317   8.9052 1.969810 9.333297 
1 1 1   23   10   16 o   23.649   7.7109  -8.3959   8.7571 -6.984665 15.42173 
1 1 1   23   10   17 o  138.355   8.5277  199.299   23.597      ?      ? 
1 1 1   23   11    0 o   93.930   6.0119   91.566   11.090 0.000000 0.000000 
1 1 1   23   11    1 o   59.863   6.0637   37.150   7.2485 -4.021538 12.12742 
1 1 1   23   11    2 o   53.719   6.8625   30.910   7.1948 5.536137 13.72493 
1 1 1   23   11    3 o   82.181   5.2688   69.795   8.5726 -0.9583206 10.53764 
1 1 1   23   11    4 o   53.200   7.2765   31.218   7.4460 3.854862 14.55294 
1 1 1   23   11    5 o  100.153   4.4452  101.664   8.6555 3.305176 8.890337 
1 1 1   23   11    6 o   55.929   7.9385   33.223   8.3956 1.310497 15.87702 
1 1 1   23   11    7 o   35.707   8.8641  -9.4332   11.969 32.46073 17.72824 
1 1 1   23   11    8 f  198.071   5.4572  330.138   19.640 107.7500 10.91439 
1 1 1   23   11    9 o   49.397   10.044   30.931   11.017 -26.62188 20.08784 
1 1 1   23   11   10 o   48.297   8.8398   26.509   8.5802 -2.559433 17.67962 
1 1 1   23   11   11 o   37.439   8.7374   14.532   7.8970 -12.66649 17.47489 
1 1 1   23   11   12 o   52.344   8.2538   31.135   8.4266 -4.189892 16.50765 
1 1 1   23   11   13 o   23.325   7.6400  -7.3465   8.4626 -1.349009 15.28009 
1 1 1   23   11   15 o   73.882   8.1932   46.156   16.007 -95.08997 16.38634 
1 1 1   23   12    0 o  139.260   5.4090  191.066   14.709 0.000000 0.000000 
1 1 1   23   12    1 o   20.075   6.9196 -23.2927   8.7754 -6.614740 13.83928 
1 1 1   23   12    2 o   19.495   6.6567 -16.4503   7.8564 -2.059607 13.31349 
1 1 1   23   12    3 o   23.951   7.6789  -4.0314   8.1992 -4.342880 15.35780 
1 1 1   23   12    4 o   31.039   8.6531   9.4019   7.9120 7.499615 17.30610 
1 1 1   23   12    5 f   71.398   5.3476   53.185   7.6208 -3.430481 10.69526 
1 1 1   23   12    6 o   62.935   6.5185   41.612   8.1631 -0.1180115 13.03708 
1 1 1   23   12    7 o   41.104   8.8885   19.053   8.0420 -7.102261 17.77700 
1 1 1   23   12    8 o   47.070   8.9195   25.345   8.6524 -9.060505 17.83909 
1 1 1   23   12    9 o   36.270   9.3010   12.392   8.5522 -10.68468 18.60195 
1 1 1   23   12   10 o   37.683   9.0700   16.082   8.3679 6.498230 18.14002 
1 1 1   23   12   11 o   24.025   7.7355   0.7596   8.1959 0.4393177 15.47100 
1 1 1   23   12   12 o   98.599   12.229  100.741   24.115      ?      ? 
1 1 1   23   13    0 o  112.588   5.9468  130.836   13.160 0.000000 0.000000 
1 1 1   23   13    1 o   65.467   8.6271   52.497   9.9058 -19.23564 17.25419 
1 1 1   23   13    2 o   58.040   8.2280   40.399   9.0929 -20.82798 16.45591 
1 1 1   23   13    3 o   59.853   6.8977   38.531   8.2548 -1.266628 13.79545 
1 1 1   23   13    4 o   43.973   8.4731   22.198   7.6373 0.8948174 16.94618 
1 1 1   23   13    5 o   26.267   7.9471   1.4481   7.5585 3.206982 15.89421 
1 1 1   23   13    6 o   19.520   6.6786  -0.5284   7.9811 0.3549538 13.35721 
1 1 1   23   13    7 o   18.814   6.5437 -21.3116   8.3843 -3.314365 13.08745 
1 1 1   23   13    8 o  110.543   7.9330  124.040   17.539      ?      ? 
1 1 1   23   13    9 o   67.557   9.3824   59.279   11.338 33.01667 18.76480 
1 1 1   23   14    0 o  113.163   9.7184  138.949   21.210 0.000000 0.000000 
1 1 1   23   14    1 o   90.874   7.3868   88.199   13.196 -21.07151 14.77368 
1 1 1   23   14    2 o   22.454   7.6942 -23.4656   11.125 4.566488 15.38849 
1 1 1   24    0    0 o   29.252   18.626   3.8140   23.267 0.000000 0.000000 
1 1 1   24    0    1 o  179.755   5.9325  332.527   20.298 0.000000 0.000000 
1 1 1   24    0    2 o  264.613   6.5980  710.128   33.166 0.000000 0.000000 
1 1 1   24    0    3 o  111.569   6.7433  126.136   14.346 0.000000 0.000000 
1 1 1   24    0    4 o   45.040   13.944   29.037   12.630 0.000000 0.000000 
1 1 1   24    0    5 o   25.215   11.179   4.9329   10.842 0.000000 0.000000 
1 1 1   24    0    6 o  304.534   6.7469  939.406   35.833 0.000000 0.000000 
1 1 1   24    0    7 o   25.923   11.381   4.8278   10.443 0.000000 0.000000 
1 1 1   24    0    8 o  121.759   5.6113  152.953   12.397 0.000000 0.000000 
1 1 1   24    0    9 o   72.824   9.1683   58.903   10.893 0.000000 0.000000 
1 1 1   24    0   10 o   77.542   9.3821   69.109   11.447 0.000000 0.000000 
1 1 1   24    0   11 o  163.341   5.7560  267.037   17.983 0.000000 0.000000 
1 1 1   24    0   12 o   34.960   11.430   5.3877   10.943 0.000000 0.000000 
1 1 1   24    0   13 o  198.542   5.3177  401.152   18.984 0.000000 0.000000 
1 1 1   24    0   14 o  151.379   5.6645  235.159   16.789 0.000000 0.000000 
1 1 1   24    0   15 o   54.994   11.766   35.343   10.687 0.000000 0.000000 
1 1 1   24    0   16 o   20.485   9.8674  -6.0215   11.432 0.000000 0.000000 
1 1 1   24    0   17 o   41.440   13.358   25.319   11.709 0.000000 0.000000 
1 1 1   24    0   18 o  172.298   5.2295  300.288   16.061 0.000000 0.000000 
1 1 1   24    0   20 o   42.364   11.703   32.381   10.906 0.000000 0.000000 
1 1 1   24    0   21 o  179.373   5.3750  333.258   17.484 0.000000 0.000000 
1 1 1   24    0   22 o   83.614   7.4686   73.838   11.432 0.000000 0.000000 
1 1 1   24    0   23 o  155.595   7.9922  245.820   24.732 0.000000 0.000000 
1 1 1   24    1    0 o   66.267   14.651   50.307   16.958 0.000000 0.000000 
1 1 1   24    1    1 o  231.113   4.6847  537.399   21.172 -0.5443115 9.369327 
1 1 1   24    1    2 o  265.104   4.1213  704.729   21.568 -2.864471 8.242538 
1 1 1   24    1    3 o  220.165   4.2330  487.241   17.587 0.5396881 8.465975 
1 1 1   24    1    4 o  176.109   3.8006  311.342   13.386 -0.7579041 7.601274 
1 1 1   24    1    5 o  234.865   3.8302  552.602   17.743 -2.911606 7.660446 
1 1 1   24    1    6 o  175.982   3.4013  307.797   11.518 -5.876663 6.802551 
1 1 1   24    1    7 o   80.467   5.2646   63.750   8.3662 -13.81040 10.52926 
1 1 1   24    1    8 o  211.020   3.3899  447.097   14.306 2.743912 6.779807 
1 1 1   24    1    9 o  114.636   3.7279  131.981   8.5446 -1.456383 7.455728 
1 1 1   24    1   10 o  140.490   3.5171  198.126   9.8545 14.68854 7.034263 
1 1 1   24    1   11 o  191.345   3.6629  354.439   13.599 -27.44830 7.325763 
1 1 1   24    1   12 o  122.829   3.6914  151.940   9.0677 1.359924 7.382783 
1 1 1   24    1   13 o   71.088   5.9279   52.771   8.1842 -9.212082 11.85581 
1 1 1   24    1   14 o   95.817   4.9628   93.291   9.5083 2.116356 9.925524 
1 1 1   24    1   15 o  176.867   3.2540  314.874   11.504 5.204666 6.508034 
1 1 1   24    1   16 o   59.996   6.4071   36.701   7.6273 6.704498 12.81415 
1 1 1   24    1   17 o   52.703   9.1038   27.918   8.7566 -12.49850 18.20753 
1 1 1   24    1   18 o   81.928   4.5701   68.946   7.4875 1.352562 9.140101 
1 1 1   24    1   19 o   46.445   7.8443   12.395   10.406 -46.81887 15.68851 
1 1 1   24    1   20 f   57.587   7.6345   45.861   8.4209 -41.01870 15.26892 
1 1 1   24    1   21 o   76.597   5.8128   60.888   8.5149 1.883080 11.62568 
1 1 1   24    1   22 o   77.423   4.9515   62.592   7.6020 13.08276 9.903050 
1 1 1   24    1   23 o  309.506   5.9737  955.207   36.498 -37.77087 11.94738 
1 1 1   24    2    0 o   28.076   12.372   6.5566   13.387 0.000000 0.000000 
1 1 1   24    2    1 o  116.226   4.9022  136.528   10.829 -1.784126 9.804417 
1 1 1   24    2    2 o  207.000   4.2254  424.550   16.407 -7.898361 8.450748 
1 1 1   24    2    3 o   83.075   6.0829   69.835   9.5828 0.7637482 12.16586 
1 1 1   24    2    4 o   30.801   8.3526   4.3295   7.8267 12.06096 16.70516 
1 1 1   24    2    5 o  221.821   3.4815  493.767   15.445 -1.604691 6.963051 
1 1 1   24    2    6 o  236.601   3.8130  563.340   17.908 -3.247421 7.626070 
1 1 1   24    2    7 o  134.688   3.6761  182.233   9.8402 0.3050079 7.352201 
1 1 1   24    2    8 o  193.750   3.5729  377.258   13.743 -1.370926 7.145705 
1 1 1   24    2    9 o   34.763   8.4521   9.9982   7.6930 -13.72209 16.90419 
1 1 1   24    2   10 o  277.040   3.9136  771.658   21.679 3.700226 7.827209 
1 1 1   24    2   11 o   95.694   6.3209   83.589   11.410 42.79625 12.64184 
1 1 1   24    2   12 o  113.299   4.2588  129.082   9.5171 3.364487 8.517567 
1 1 1   24    2   13 o   42.406   10.176   18.181   10.187 -0.9986954 20.35125 
1 1 1   24    2   14 o   64.104   7.3502   43.342   9.1879 4.704216 14.70034 
1 1 1   24    2   15 o  125.511   3.8184  155.647   9.4374 15.41843 7.636797 
1 1 1   24    2   16 o   61.493   6.4942   39.151   7.9775 4.224457 12.98838 
1 1 1   24    2   17 o  110.912   4.2385  122.907   9.3163 17.35563 8.476934 
1 1 1   24    2   18 f  124.938   3.8600  158.021   9.4855 6.038475 7.719920 
1 1 1   24    2   19 o  148.816   7.2900   85.381   11.621 201.5281 14.58000 
1 1 1   24    2   20 o   87.668   4.9457   79.588   8.6680 2.170349 9.891464 
1 1 1   24    2   21 o  160.613   3.4924  263.289   11.163 6.858521 6.984768 
1 1 1   24    2   22 o   70.513   5.3243   58.336   7.4014 3.558052 10.64858 
1 1 1   24    2   23 o   80.765   10.043   67.966   16.223      ?      ? 
1 1 1   24    3    0 o  120.135   7.8090  146.732   18.600 0.000000 0.000000 
1 1 1   24    3    1 o   64.503   7.0798   41.270   8.9807 7.187531 14.15963 
1 1 1   24    3    2 o  127.231   4.0180  162.997   10.164 3.154861 8.036077 
1 1 1   24    3    3 o  181.322   3.6145  330.201   12.993 0.8964386 7.229077 
1 1 1   24    3    4 o   76.471   5.7662   59.371   8.6861 2.456978 11.53244 
1 1 1   24    3    5 o  178.616   3.5705  320.243   12.600 -0.5391998 7.141078 
1 1 1   24    3    6 o   94.808   4.6162   90.592   8.6387 0.2369766 9.232444 
1 1 1   24    3    7 o  160.632   3.2843  258.945   10.551 2.033051 6.568567 
1 1 1   24    3    8 o   87.375   4.7381   76.943   8.2588 -8.436813 9.476187 
1 1 1   24    3    9 o   97.997   5.1088   96.991   9.9940 -0.4914093 10.21763 
1 1 1   24    3   10 o  169.995   4.1459  301.032   13.573 -30.90759 8.291768 
1 1 1   24    3   11 o   85.164   5.1837   74.959   8.6559 -14.33344 10.36737 
1 1 1   24    3   12 o   65.111   7.6441   46.845   8.9059 -11.98755 15.28824 
1 1 1   24    3   13 o   89.763   5.3067   82.264   9.4977 -3.722488 10.61342 
1 1 1   24    3   14 o   56.803   6.5139   33.253   7.3982 -1.666290 13.02784 
1 1 1   24    3   15 o  100.567   6.8020   92.868   9.4887 13.97236 13.60409 
1 1 1   24    3   16 o   50.045   9.6968   28.119   9.8938 -2.211220 19.39370 
1 1 1   24    3   17 o  113.951   5.5311  131.304   12.464 22.51752 11.06210 
1 1 1   24    3   18 o   35.072   9.4738   1.1565   9.1758 24.95904 18.94752 
1 1 1   24    3   19 o  176.876   5.3415  299.934   18.270 -58.58328 10.68301 
1 1 1   24    3   20 o   74.621   7.3014   59.301   8.3977 -2.171387 14.60274 
1 1 1   24    3   21 o   49.870   10.532   15.473   8.2594 37.39399 21.06407 
1 1 1   24    3   22 o  104.312   5.4208  100.688   10.170 28.58059 10.84160 
1 1 1   24    4    0 o   99.465   7.7480  101.325   14.114 0.000000 0.000000 
1 1 1   24    4    1 o   97.164   4.5516   95.058   8.8449 -0.3286438 9.103110 
1 1 1   24    4    2 o   34.469   8.7941   9.0611   8.4404 -11.95650 17.58825 
1 1 1   24    4    3 o  122.171   4.9405  152.031   11.666 -5.205971 9.881046 
1 1 1   24    4    4 o  213.418   3.4354  457.385   14.663 0.4974060 6.870775 
1 1 1   24    4    5 f  163.290   3.3778  267.654   11.031 -1.874420 6.755697 
1 1 1   24    4    6 o  196.657   3.6532  388.178   14.188 0.7642212 7.306417 
1 1 1   24    4    7 o  203.677   3.7184  416.813   14.975 1.007782 7.436866 
1 1 1   24    4    8 f   97.984   5.8337   96.117   11.157 4.752289 11.66739 
1 1 1   24    4    9 o  125.021   5.0425  154.344   12.266 10.94823 10.08510 
1 1 1   24    4   10 o  190.506   4.4121  368.902   16.472 -6.594910 8.824159 
1 1 1   24    4   11 o   90.681   4.8120   83.193   8.6572 1.291527 9.624055 
1 1 1   24    4   12 o   53.178   8.4923   31.011   8.8598 10.87344 16.98466 
1 1 1   24    4   13 o  103.046   4.4522  108.740   9.0631 -8.213791 8.904371 
1 1 1   24    4   14 o  108.914   4.7153  123.543   8.8289 -6.309425 9.430647 
1 1 1   24    4   15 o  108.455   4.8915  122.386   9.5890 -6.086464 9.783074 
1 1 1   24    4   16 f   28.328   9.0446  -2.6467   8.7917 9.479071 18.08915 
1 1 1   24    4   17 o   31.102   8.6798   1.3191   7.4402 21.15040 17.35957 
1 1 1   24    4   18 o  161.222   5.9586  245.953   14.272 14.59988 11.91719 
1 1 1   24    4   19 o   29.914   9.9152  -5.7361   7.9812 22.51412 19.83040 
1 1 1   24    4   20 o   81.046   9.3389   64.537   7.9532 5.314934 18.67770 
1 1 1   24    4   21 o   53.704   9.8386   39.971   7.9579 -18.89761 19.67724 
1 1 1   24    4   22 o  216.798   10.447  482.788   45.298      ?      ? 
1 1 1   24    5    0 o  105.504   8.8419  117.391   18.143 0.000000 0.000000 
1 1 1   24    5    1 o  270.163   4.1972  732.942   22.425 2.606232 8.394454 
1 1 1   24    5    2 o   37.565   9.0093   13.682   7.9852 -2.324993 18.01855 
1 1 1   24    5    3 o  127.655   4.4189  165.955   10.694 -5.178940 8.837796 
1 1 1   24    5    4 o  158.857   3.6879  254.624   11.606 -5.039917 7.375829 
1 1 1   24    5    5 o  151.277   3.7398  231.196   11.221 -5.893448 7.479509 
1 1 1   24    5    6 o   36.783   8.9290   10.638   8.1741 15.46244 17.85806 
1 1 1   24    5    7 o  153.291   3.8046  238.542   11.545 -18.95775 7.609204 
1 1 1   24    5    8 o   31.919   9.3477   1.4453   9.4161 11.95537 18.69550 
1 1 1   24    5    9 o  133.169   3.7836  180.268   9.6670 -4.139343 7.567134 
1 1 1   24    5   10 o  176.818   3.6104  314.969   12.629 -0.4399109E-01 7.220704 
1 1 1   24    5   11 o  115.948   4.3682  135.989   10.120 -7.315742 8.736388 
1 1 1   24    5   12 o   99.279   4.2559   98.028   8.2086 7.105728 8.511707 
1 1 1   24    5   13 o  103.712   4.7883  109.193   8.6599 -0.4341736 9.576630 
1 1 1   24    5   14 o   80.419   6.2942   69.851   8.0881 -7.894600 12.58848 
1 1 1   24    5   15 o  108.883   4.7643  117.652   9.4493 6.702232 9.528604 
1 1 1   24    5   16 o  101.302   4.6216  105.630   9.3429 1.834480 9.243172 
1 1 1   24    5   17 o  100.977   6.9676  102.922   14.071      ?      ? 
1 1 1   24    5   18 o  131.241   4.7752  173.594   11.243 15.71859 9.550340 
1 1 1   24    5   19 o  132.385   3.9574  174.721   9.8289 8.871269 7.914876 
1 1 1   24    5   20 o   54.413   7.6390   32.368   7.7541 3.774456 15.27805 
1 1 1   24    5   21 o   58.250   8.3639   27.236   8.6108 35.83632 16.72776 
1 1 1   24    6    0 o   99.843   6.7113  104.389   12.934 0.000000 0.000000 
1 1 1   24    6    1 o  273.674   4.2521  752.796   22.964 -2.910217 8.504132 
1 1 1   24    6    2 o  141.108   4.6785  195.427   12.930 -17.55602 9.357004 
1 1 1   24    6    3 o  128.303   4.1971  165.162   10.736 -14.31261 8.394160 
1 1 1   24    6    4 o  145.547   4.4770  223.114   12.115 -20.90332 8.953950 
1 1 1   24    6    5 o  284.098   4.6470  813.701   26.400 -2.487366 9.294057 
1 1 1   24    6    6 o  171.529   3.6312  295.339   12.346 3.089737 7.262433 
1 1 1   24    6    7 o  198.224   3.4700  397.406   13.380 -3.884155 6.940026 
1 1 1   24    6    8 o  130.494   3.8262  173.343   9.8912 -14.56702 7.652476 
1 1 1   24    6    9 o  180.268   3.5792  328.601   12.814 -5.579269 7.158319 
1 1 1   24    6   10 o   77.268   5.9106   61.216   9.1289 -2.377808 11.82112 
1 1 1   24    6   11 o   56.523   7.1924   34.111   7.5206 -4.082710 14.38486 
1 1 1   24    6   12 o  104.212   5.0122  111.927   8.8398 -3.223656 10.02448 
1 1 1   24    6   13 o  139.791   3.9634  198.718   9.7044 -1.857483 7.926741 
1 1 1   24    6   14 o  113.986   4.7013  131.847   10.163 1.781212 9.402526 
1 1 1   24    6   15 o   71.318   6.0674   53.578   8.6304 7.340370 12.13485 
1 1 1   24    6   16 o  372.776   9.8294  1415.59   73.283      ?      ? 
1 1 1   24    6   17 o   89.463   6.9470  106.265   9.4342 -44.12688 13.89397 
1 1 1   24    6   18 o   63.744   6.3292   42.942   7.7577 -0.7273064 12.65841 
1 1 1   24    6   19 o   67.054   6.1431   48.182   7.4021 -3.529350 12.28630 
1 1 1   24    6   20 o   16.131   5.7384 -23.7973   7.4917 3.788171 11.47672 
1 1 1   24    6   21 o   97.339   5.5358  105.723   10.486 -6.660767 11.07151 
1 1 1   24    7    0 o   73.832   9.2480   61.430   11.883 0.000000 0.000000 
1 1 1   24    7    1 o  233.136   3.5744  546.546   16.654 -7.097000 7.148712 
1 1 1   24    7    2 o  108.226   4.4777  117.905   9.5742 -2.956566 8.955434 
1 1 1   24    7    3 o  122.314   4.1027  151.310   9.9287 1.204933 8.205313 
1 1 1   24    7    4 o  116.632   4.1406  136.546   9.5760 5.536964 8.281240 
1 1 1   24    7    5 o   47.728   10.014   24.760   10.060 -2.589855 20.02726 
1 1 1   24    7    6 o  103.812   4.3987  108.543   9.0676 -3.431549 8.797477 
1 1 1   24    7    7 o  118.871   3.9545  141.131   9.2781 -7.836205 7.909009 
1 1 1   24    7    8 o   84.618   5.3593   72.887   9.0577 4.537857 10.71862 
1 1 1   24    7    9 o  164.569   3.5817  273.909   11.610 -2.357193 7.163326 
1 1 1   24    7   10 o   69.509   7.0796   51.365   8.1367 -3.936508 14.15921 
1 1 1   24    7   11 o   74.687   9.6836   63.819   8.8945 -10.22468 19.36727 
1 1 1   24    7   12 o  104.818   4.7016  111.127   8.6508 0.8819733 9.403132 
1 1 1   24    7   13 o   54.510   7.6309   31.879   8.1453 14.81999 15.26186 
1 1 1   24    7   14 o   66.785   6.7461   50.586   7.9342 -15.96808 13.49223 
1 1 1   24    7   15 o  115.255   6.9855   59.407   10.532 171.5743 13.97097 
1 1 1   24    7   16 o   38.074   9.1566   18.164   8.4322 8.910236 18.31315 
1 1 1   24    7   17 o  106.828   3.8819  117.156   7.7099 -2.024452 7.763747 
1 1 1   24    7   18 o   48.207   8.0658   25.597   7.4396 6.312283 16.13168 
1 1 1   24    7   19 o  105.379   4.4849  117.457   9.2742 15.82131 8.969787 
1 1 1   24    7   20 o   70.785   6.0951   51.835   8.3692 9.926643 12.19024 
1 1 1   24    8    0 o   81.271   8.9337   72.953   12.673 0.000000 0.000000 
1 1 1   24    8    1 f   84.570   5.0177   72.415   8.4526 -3.132729 10.03548 
1 1 1   24    8    2 o  147.295   3.6438  218.508   10.640 -1.577240 7.287687 
1 1 1   24    8    3 o   95.262   4.6642   92.672   8.7640 4.221725 9.328350 
1 1 1   24    8    4 o   39.018   9.1668   15.410   8.2387 -3.055485 18.33350 
1 1 1   24    8    5 o   35.520   8.6391   12.005   7.5725 7.760557 17.27825 
1 1 1   24    8    6 o  136.742   3.8732  191.461   10.263 -8.193909 7.746372 
1 1 1   24    8    7 o   54.017   9.1098   32.598   9.3911 -4.839252 18.21969 
1 1 1   24    8    8 o  105.592   4.1653  113.538   8.6001 -2.478455 8.330579 
1 1 1   24    8    9 o   46.291   9.0440   24.524   8.3672 -6.928345 18.08801 
1 1 1   24    8   10 o   78.763   5.5195   66.679   8.2757 -19.09519 11.03903 
1 1 1   24    8   11 o   95.940   4.4304   94.232   8.3553 -2.246063 8.860794 
1 1 1   24    8   12 o  129.536   3.7090  171.106   9.3778 -0.1336212 7.418089 
1 1 1   24    8   13 o   94.610   5.8087   90.852   10.708 -0.6358643 11.61737 
1 1 1   24    8   14 o   47.010   8.2312   25.907   7.8378 -15.81086 16.46241 
1 1 1   24    8   15 o   80.383   5.9561   59.079   7.5794 14.71918 11.91222 
1 1 1   24    8   16 o  132.027   3.7288  173.778   8.8679 5.708282 7.457599 
1 1 1   24    8   17 o   47.541   8.5188   25.557   7.8104 1.151470 17.03751 
1 1 1   24    9    0 o  116.317   5.2410  138.087   12.077 0.000000 0.000000 
1 1 1   24    9    1 o   41.451   8.5961   18.573   7.5845 -1.275837 17.19221 
1 1 1   24    9    2 o   56.992   7.0148   34.410   7.7629 -6.994072 14.02954 
1 1 1   24    9    3 o   73.576   5.4634   55.933   7.9408 -5.909241 10.92680 
1 1 1   24    9    4 o   48.719   8.2936   26.360   8.1199 -13.09208 16.58728 
1 1 1   24    9    5 o   58.394   8.7875   39.084   9.6424 12.98186 17.57498 
1 1 1   24    9    6 o   71.365   7.3707   55.759   9.6259 10.70475 14.74144 
1 1 1   24    9    7 o   64.253   6.4747   44.463   7.8489 -10.61015 12.94946 
1 1 1   24    9    8 o   98.518   6.4317  101.750   11.645 -3.333168 12.86339 
1 1 1   24    9    9 o   99.288   4.2678  100.829   8.4657 -2.622765 8.535686 
1 1 1   24    9   10 o   91.844   5.4181   87.901   9.8564 -10.12711 10.83618 
1 1 1   24    9   11 f  325.936   8.6215  1077.58   56.201      ?      ? 
1 1 1   24    9   13 o   28.779   8.3962   4.4011   7.8214 0.2610645 16.79241 
1 1 1   24    9   14 o   25.241   7.7719  -0.3092   7.4461 -2.111261 15.54370 
1 1 1   24    9   15 o   70.538   6.6563   52.151   8.5503 1.844452 13.31263 
1 1 1   24    9   16 o   20.263   6.8215   18.195   8.1176 -3.878584 13.64292 
1 1 1   24    9   17 f  127.077   6.6828  163.289   16.985      ?      ? 
1 1 1   24   10    0 o   23.597   10.428   4.9695   9.8118 0.000000 0.000000 
1 1 1   24   10    1 o   40.971   8.1435   18.328   6.9559 -4.139183 16.28692 
1 1 1   24   10    2 o   83.102   4.3975   70.492   7.2975 3.632141 8.795019 
1 1 1   24   10    3 o   74.394   5.0177   56.697   7.4616 -2.803352 10.03541 
1 1 1   24   10    4 o   55.814   7.5136   34.168   8.0931 9.621582 15.02720 
1 1 1   24   10    5 o   61.660   6.0487   39.304   7.4181 7.063393 12.09748 
1 1 1   24   10    6 o   67.090   7.0939   45.394   8.9793 11.30368 14.18774 
1 1 1   24   10    7 o   80.017   6.6715   66.259   10.653 1.922806 13.34292 
1 1 1   24   10    8 o  108.839   7.0725  119.601   15.395      ?      ? 
1 1 1   24   10    9 o  116.853   8.9143  138.983   20.833      ?      ? 
1 1 1   24   10   10 o   34.273   8.8482   12.568   9.0157 17.42912 17.69638 
1 1 1   24   10   11 o   33.532   9.1496   8.8802   8.3328 -6.502956 18.29915 
1 1 1   24   10   12 o   47.009   8.6654   25.058   8.2128 -6.559078 17.33071 
1 1 1   24   10   13 o   38.901   9.3996   16.628   8.7271 -4.528877 18.79915 
1 1 1   24   10   14 o   24.417   7.9284   1.9640   8.9604 -5.508396 15.85680 
1 1 1   24   11    0 o   60.062   15.504   49.388   17.208 0.000000 0.000000 
1 1 1   24   11    1 o  290.971   8.1100  857.364   47.195      ?      ? 
1 1 1   24   11    2 o  115.201   6.2558  138.083   12.870 -68.92984 12.51157 
1 1 1   24   11    3 o   77.635   6.5632   60.807   10.117 13.19312 13.12635 
1 1 1   24   11    4 o  107.523   4.5946  116.560   9.8673 -7.668114 9.189241 
1 1 1   24   11    5 o   96.059   4.9035   93.165   9.1529 -3.362625 9.806933 
1 1 1   24   11    6 o  131.936   3.8939  182.258   10.151 -2.985336 7.787855 
1 1 1   24   11    7 o   52.377   7.7950   30.509   7.8943 -5.606499 15.59000 
1 1 1   24   11    8 o   60.421   7.7173   40.506   8.8696 -28.23534 15.43458 
1 1 1   24   11    9 o   34.381   9.2901   9.5766   9.4410 10.44938 18.58030 
1 1 1   24   11   10 o   62.677   6.9721   43.649   8.2608 10.51299 13.94415 
1 1 1   24   11   11 o   73.562   6.1691   57.347   8.8116 -0.8214188 12.33829 
1 1 1   24   11   12 f   19.595   6.7503 -11.3865   8.5449 -3.586264 13.50059 
1 1 1   24   11   13 o  201.822   6.0229  266.218   19.429 160.9409 12.04589 
1 1 1   24   12    0 o   25.749   11.541   4.9818   12.974 0.000000 0.000000 
1 1 1   24   12    1 o   46.767   8.2004   24.911   7.6429 2.517036 16.40080 
1 1 1   24   12    2 o   62.395   6.8562   42.684   8.1456 -6.686203 13.71250 
1 1 1   24   12    3 o   60.097   6.6081   39.092   7.7097 -7.123051 13.21628 
1 1 1   24   12    4 o   86.356   4.5505   76.818   7.8361 8.421616 9.101080 
1 1 1   24   12    5 o   50.548   7.3783   28.385   7.2141 4.474480 14.75653 
1 1 1   24   12    6 o   43.738   8.2690   21.939   7.4782 9.404533 16.53798 
1 1 1   24   12    7 o   39.014   8.9989   17.088   8.0657 1.122734 17.99785 
1 1 1   24   12    8 o   26.651   8.2336   6.7922   9.0990 -9.163055 16.46717 
1 1 1   24   12    9 o   19.407   6.6635 -23.0338   8.2089 -8.657326 13.32702 
1 1 1   24   13    0 o   19.075   10.149 -30.7402   14.433 0.000000 0.000000 
1 1 1   24   13    2 o   19.411   6.7926 -27.4796   9.7272 0.1812000 13.58517 
1 1 1   24   13    4 o   39.918   9.1657   16.100   8.9128 12.25408 18.33139 
1 1 1   24   13    6 o   73.004   6.4771   54.390   9.2243 -22.89234 12.95418 
1 1 1   25    0    1 o  119.474   6.8156  143.165   14.915 0.000000 0.000000 
1 1 1   25    0    2 o  102.961   8.8518  109.029   17.970 0.000000 0.000000 
1 1 1   25    0    3 o   81.241   8.3518   68.466   13.312 0.000000 0.000000 
1 1 1   25    0    4 o  340.071   7.4157  1179.09   43.945 0.000000 0.000000 
1 1 1   25    0    5 o  124.066   5.8811  153.814   12.875 0.000000 0.000000 
1 1 1   25    0    6 o  278.252   6.8065  773.305   35.162 0.000000 0.000000 
1 1 1   25    0    7 o  115.255   6.3504  134.827   13.879 0.000000 0.000000 
1 1 1   25    0    8 o   44.595   12.470   29.506   11.052 0.000000 0.000000 
1 1 1   25    0    9 o  240.518   5.7948  599.424   25.201 0.000000 0.000000 
1 1 1   25    0   10 o   40.623   12.989   20.622   10.735 0.000000 0.000000 
1 1 1   25    0   11 o   97.706   6.6964  100.281   11.808 0.000000 0.000000 
1 1 1   25    0   12 o  148.907   5.6998  228.456   16.579 0.000000 0.000000 
1 1 1   25    0   13 o   40.716   12.542   21.869   10.182 0.000000 0.000000 
1 1 1   25    0   14 o   87.231   7.1082   80.603   11.860 0.000000 0.000000 
1 1 1   25    0   15 o   32.710   12.552   16.429   11.237 0.000000 0.000000 
1 1 1   25    0   16 o  155.815   5.6193  245.621   17.462 0.000000 0.000000 
1 1 1   25    0   17 o  275.412   6.3653  805.736   32.053 0.000000 0.000000 
1 1 1   25    0   18 o  126.148   6.3651  160.908   15.972 0.000000 0.000000 
1 1 1   25    0   19 o  114.062   5.7451  137.373   11.638 0.000000 0.000000 
1 1 1   25    0   20 o   75.907   9.1215   69.870   10.816 0.000000 0.000000 
1 1 1   25    0   21 o  170.299   5.6853  302.429   18.993 0.000000 0.000000 
1 1 1   25    1    0 o   47.253   13.470   27.794   13.147 0.000000 0.000000 
1 1 1   25    1    1 f  131.937   3.9632  174.465   10.351 -2.686172 7.926330 
1 1 1   25    1    2 o  124.659   4.0731  154.649   10.045 -8.453392 8.146180 
1 1 1   25    1    3 o  107.420   4.3496  115.954   9.2354 -1.214508 8.699237 
1 1 1   25    1    4 o  212.523   4.1864  457.294   16.848 4.639923 8.372791 
1 1 1   25    1    5 o  108.224   4.6848  116.291   9.1352 -3.206543 9.369659 
1 1 1   25    1    6 o  102.483   4.6855   93.454   8.6938 -27.65068 9.370903 
1 1 1   25    1    7 o   64.571   6.7508   42.414   8.7016 -1.590118 13.50159 
1 1 1   25    1    8 o   42.447   8.5239   18.932   9.3545 -26.03796 17.04781 
1 1 1   25    1    9 o  142.026   5.0743  201.901   14.240 30.99571 10.14852 
1 1 1   25    1   10 o  184.649   3.3618  343.104   12.414 2.363037 6.723623 
1 1 1   25    1   11 o   58.232   8.0542   36.198   9.0289 -1.985092 16.10841 
1 1 1   25    1   12 o  175.016   3.8444  309.256   13.455 4.024414 7.688864 
1 1 1   25    1   13 o   92.350   4.1015   86.340   7.5718 0.7625504 8.202952 
1 1 1   25    1   14 o   62.631   6.3041   40.330   7.8875 -2.782265 12.60816 
1 1 1   25    1   15 o   94.959   4.4890   91.746   8.5249 -1.025032 8.977975 
1 1 1   25    1   16 o   68.568   5.3672   48.459   7.3420 5.386017 10.73445 
1 1 1   25    1   17 o  169.311   3.3760  289.187   11.393 15.40848 6.751968 
1 1 1   25    1   18 o  166.246   6.4897  278.465   21.578      ?      ? 
1 1 1   25    1   19 o   44.889   7.7837   23.074   7.0543 11.68511 15.56750 
1 1 1   25    1   20 o   74.082   6.2290   58.289   8.8869 -3.295433 12.45806 
1 1 1   25    1   21 o   95.104   4.5119   94.183   8.5292 8.407799 9.023834 
1 1 1   25    1   22 o  240.014   7.4427  584.675   35.727      ?      ? 
1 1 1   25    2    0 o  181.887   5.5148  332.062   17.475 0.000000 0.000000 
1 1 1   25    2    1 o   62.811   7.9482   41.689   9.6181 -13.91072 15.89648 
1 1 1   25    2    2 o  153.601   4.4651  238.291   13.373 -2.247391 8.930206 
1 1 1   25    2    3 o  192.039   3.3837  370.161   12.994 3.096649 6.767497 
1 1 1   25    2    4 o  179.563   3.6264  324.608   12.900 3.404221 7.252748 
1 1 1   25    2    5 o  232.595   4.3170  548.010   19.033 5.447342 8.633933 
1 1 1   25    2    6 o  106.825   4.3222  114.773   9.0773 -0.8233490 8.644301 
1 1 1   25    2    7 o  157.378   3.4553  248.933   10.868 7.301178 6.910653 
1 1 1   25    2    8 o  140.002   4.9198  202.655   12.880 -63.40302 9.839622 
1 1 1   25    2    9 o  113.748   3.9965  129.308   9.0327 18.31321 7.992944 
1 1 1   25    2   10 o  124.928   3.8385  156.034   9.5268 9.502808 7.677010 
1 1 1   25    2   11 o  152.477   5.5125  242.482   14.535 -9.170975 11.02496 
1 1 1   25    2   12 o   92.619   5.5272   89.723   9.5421 -7.421494 11.05448 
1 1 1   25    2   13 o  150.030   3.6296  225.455   10.730 6.350464 7.259154 
1 1 1   25    2   14 o   67.712   7.4427   50.903   9.2887 -17.20783 14.88544 
1 1 1   25    2   15 o  149.387   4.1606  229.122   12.284 -20.11919 8.321173 
1 1 1   25    2   16 o   47.591   8.4600   25.137   8.0540 4.706112 16.92007 
1 1 1   25    2   17 o  103.099   5.7294  107.892   11.700 20.23293 11.45873 
1 1 1   25    2   18 o  203.535   5.7197  417.759   23.283      ?      ? 
1 1 1   25    2   19 o   68.091   5.6202   48.776   7.4995 14.95521 11.24042 
1 1 1   25    2   20 o  153.031   3.7992  238.893   11.619 7.333984 7.598353 
1 1 1   25    2   22 o  103.646   4.6679  109.841   9.6189 -15.26498 9.335789 
1 1 1   25    3    0 o  180.180   5.6639  336.336   17.558 0.000000 0.000000 
1 1 1   25    3    1 o   50.006   8.8924   26.658   9.3514 -20.89124 17.78488 
1 1 1   25    3    2 o  218.719   3.7525  482.010   16.324 7.046799 7.504960 
1 1 1   25    3    3 o   79.528   6.4065   62.930   9.5779 3.876053 12.81307 
1 1 1   25    3    4 o  150.660   3.7068  228.700   11.031 2.628204 7.413588 
1 1 1   25    3    5 o   91.623   4.8116   84.397   8.7421 -2.772774 9.623246 
1 1 1   25    3    6 o   36.277   8.7624   12.393   7.7347 5.914116 17.52473 
1 1 1   25    3    7 o  253.166   4.3310  644.051   21.904 -8.180466 8.661937 
1 1 1   25    3    8 o  207.524   3.7508  435.375   15.458 10.36227 7.501585 
1 1 1   25    3    9 o   63.281   6.7879   40.668   8.4763 -4.198933 13.57578 
1 1 1   25    3   10 o  106.554   4.9497  115.774   9.7834 2.145561 9.899459 
1 1 1   25    3   11 o   74.099   6.2688   56.361   9.2661 -6.715919 12.53766 
1 1 1   25    3   12 f  106.835   3.8570  115.229   8.2357 5.294312 7.713986 
1 1 1   25    3   13 o  138.257   3.6691  192.758   9.9207 0.8221283 7.338170 
1 1 1   25    3   14 o   78.202   5.6567   65.825   8.2180 -12.65525 11.31339 
1 1 1   25    3   15 o  107.382   4.1235  112.936   8.2412 9.904930 8.246939 
1 1 1   25    3   16 o   82.151   4.9845   69.792   7.4958 -0.9472351 9.968949 
1 1 1   25    3   17 o  189.643   7.1648  363.278   27.175      ?      ? 
1 1 1   25    3   18 o   35.706   8.3215  -5.8913   9.8334 38.97105 16.64296 
1 1 1   25    3   19 o   34.772   9.2048   11.677   8.3322 1.659046 18.40967 
1 1 1   25    3   20 o   41.489   8.3528   20.125   7.1008 -5.299881 16.70555 
1 1 1   25    3   21 o   46.353   11.969   19.124   11.237 11.75422 23.93749 
1 1 1   25    4    0 o   77.795   10.744   67.228   12.108 0.000000 0.000000 
1 1 1   25    4    1 o  137.616   3.5657  190.330   9.8132 2.157059 7.131342 
1 1 1   25    4    2 o  102.648   4.5999  106.693   9.3168 2.645599 9.199841 
1 1 1   25    4    3 o   75.502   5.4475   57.730   8.2217 1.783073 10.89490 
1 1 1   25    4    4 o  169.136   3.4119  287.116   11.537 -5.492447 6.823750 
1 1 1   25    4    5 o  157.440   4.2447  223.076   12.269 -41.08006 8.489388 
1 1 1   25    4    6 o  236.868   4.1950  564.371   19.861 -4.546463 8.390035 
1 1 1   25    4    7 o  184.113   3.7040  338.307   13.418 8.323700 7.407957 
1 1 1   25    4    8 o   78.265   5.7339   61.470   8.8708 8.000633 11.46783 
1 1 1   25    4    9 o  160.584   3.8625  260.092   12.404 0.4863129 7.724999 
1 1 1   25    4   10 o  100.365   4.7243  102.180   9.4819 2.115654 9.448563 
1 1 1   25    4   11 o   55.998   6.9617   30.538   7.3830 22.54603 13.92335 
1 1 1   25    4   12 f  109.467   4.6244  119.234   8.7953 3.699944 9.248821 
1 1 1   25    4   13 o   75.936   7.9769   50.910   9.4180 18.18462 15.95383 
1 1 1   25    4   14 o   75.004   5.4348   58.872   7.8997 -7.364639 10.86954 
1 1 1   25    4   15 o   68.217   5.6087   48.007   7.5195 0.7761078 11.21737 
1 1 1   25    4   16 f   23.008   7.5844  -9.3218   7.7809 7.280642 15.16878 
1 1 1   25    4   17 o   19.099   9.5944 -45.9350   16.046      ?      ? 
1 1 1   25    4   18 o   97.659   5.6026   94.031   10.124 11.39191 11.20515 
1 1 1   25    4   19 o  118.327   4.7239  145.936   10.158 -4.520302 9.447900 
1 1 1   25    4   20 o   40.434   11.087   22.388   9.2304      ?      ? 
1 1 1   25    4   21 o  138.156   5.6665  192.693   15.657      ?      ? 
1 1 1   25    5    0 o   60.737   15.086   43.600   15.842 0.000000 0.000000 
1 1 1   25    5    1 o   74.834   8.4144   59.556   11.892 -23.61839 16.82873 
1 1 1   25    5    2 o  220.306   7.0646  489.634   31.127      ?      ? 
1 1 1   25    5    3 o   88.175   6.5380   82.148   10.966 -14.72831 13.07600 
1 1 1   25    5    4 o  319.565   5.1939  1026.84   29.707 2.660614 10.38773 
1 1 1   25    5    5 o   45.286   8.2673   22.727   9.2738 -29.11396 16.53459 
1 1 1   25    5    6 o  140.696   3.8571  200.367   10.768 -3.842972 7.714227 
1 1 1   25    5    7 o  120.520   4.0573  146.626   9.6966 0.1367188E-01 8.114634 
1 1 1   25    5    8 o  170.002   3.6922  288.634   12.376 9.021530 7.384300 
1 1 1   25    5    9 o   39.754   8.9072   16.737   8.1580 -8.145466 17.81438 
1 1 1   25    5   10 o  206.585   3.5055  428.894   13.937 2.425583 7.011093 
1 1 1   25    5   11 o  130.688   5.5371  182.698   10.604 -11.06793 11.07412 
1 1 1   25    5   12 o  175.485   5.0186  332.465   13.568 -18.59727 10.03727 
1 1 1   25    5   13 o   34.992   8.4229   12.495   7.0012 -2.554359 16.84584 
1 1 1   25    5   14 o  112.042   4.1645  127.806   9.3122 0.9409256 8.328954 
1 1 1   25    5   15 o   78.552   5.3406   61.547   8.2690 12.25003 10.68113 
1 1 1   25    5   16 o   61.947   10.287   39.177   12.745      ?      ? 
1 1 1   25    5   17 o  170.081   4.4664  301.690   14.688 -10.85861 8.932858 
1 1 1   25    5   18 o   87.858   5.1762   75.055   8.5800 15.76923 10.35232 
1 1 1   25    5   19 o   30.243   8.5622   6.6209   7.9486 -3.483667 17.12440 
1 1 1   25    5   20 o  120.998   4.7748  136.517   9.9643 17.96498 9.549687 
1 1 1   25    6    0 o   73.892   8.6081   59.158   11.681 0.000000 0.000000 
1 1 1   25    6    1 o   38.216   8.9131   14.677   8.0124 5.990910 17.82613 
1 1 1   25    6    2 o   43.801   8.6541   20.641   7.9040 -4.881226 17.30819 
1 1 1   25    6    3 o  174.328   4.3199  309.504   14.876 -9.174423 8.639858 
1 1 1   25    6    4 o  135.627   3.8406  183.967   10.310 7.485275 7.681239 
1 1 1   25    6    5 o   75.943   6.7330   62.061   9.3226 -10.94130 13.46593 
1 1 1   25    6    6 f   67.727   6.7434   47.379   9.0466 11.46969 13.48674 
1 1 1   25    6    7 o  132.060   3.6127  176.645   9.2754 -2.456741 7.225455 
1 1 1   25    6    8 o   92.790   4.6440   87.635   8.5118 -1.605072 9.287906 
1 1 1   25    6    9 o  171.629   3.9189  302.231   12.048 -6.676224 7.837815 
1 1 1   25    6   10 o  247.665   5.8070  649.250   21.612 -16.23074 11.61399 
1 1 1   25    6   11 o  109.067   6.4374  120.511   9.6530 0.6019821 12.87482 
1 1 1   25    6   12 o   70.737   5.3539   51.167   7.3386 0.9843979 10.70782 
1 1 1   25    6   13 o   66.029   5.5282   42.651   7.0860 16.86574 11.05641 
1 1 1   25    6   14 o   33.085   9.0043   6.8467   8.6101 9.965113 18.00863 
1 1 1   25    6   15 f   44.003   12.139   20.609   11.024      ?      ? 
1 1 1   25    6   16 o   87.356   4.4482   76.327   7.3412 6.695412 8.896481 
1 1 1   25    6   17 o   41.206   9.3610   18.119   8.2400 7.124962 18.72197 
1 1 1   25    6   18 o   70.279   5.8174   52.889   7.9228 -7.566376 11.63476 
1 1 1   25    7    0 o   37.813   12.682   21.897   10.836 0.000000 0.000000 
1 1 1   25    7    1 o  208.094   3.6666  436.634   15.110 -0.4482422 7.333165 
1 1 1   25    7    2 o  118.430   4.4573  142.313   10.077 1.011856 8.914598 
1 1 1   25    7    3 o   88.090   4.9102   78.842   8.5857 -0.3192902 9.820342 
1 1 1   25    7    4 o  141.145   3.7751  201.092   10.545 -0.5775604 7.550291 
1 1 1   25    7    5 o  162.078   3.6158  264.767   11.609 -1.576797 7.231687 
1 1 1   25    7    6 o   40.380   8.4301   17.407   7.4789 -9.722485 16.86014 
1 1 1   25    7    7 o   80.505   6.3191   67.809   9.7340 -5.564003 12.63814 
1 1 1   25    7    8 o   42.664   9.2255   18.068   7.7577 8.121941 18.45093 
1 1 1   25    7    9 o  118.510   4.4720  141.670   10.599      ?      ? 
1 1 1   25    7   10 o   95.164   4.3890   94.472   7.9481 -9.113556 8.777994 
1 1 1   25    7   11 o   48.332   7.8085   25.899   7.2453 -2.804737 15.61701 
1 1 1   25    7   12 o   46.391   7.7516   25.035   7.2349 -13.71421 15.50327 
1 1 1   25    7   13 o  126.115   6.8278  122.132   12.609 125.3141 13.65555 
1 1 1   25    7   14 o   91.721   6.3590   85.923   11.665      ?      ? 
1 1 1   25    7   15 o   41.176   8.5687   16.740   7.1221 13.40804 17.13741 
1 1 1   25    7   16 o   71.814   6.4154   54.585   7.5143 -2.489243 12.83088 
1 1 1   25    7   17 o   50.755   8.0411   29.470   7.8746 -3.546074 16.08223 
1 1 1   25    8    0 o  192.383   4.7042  373.502   18.026 0.000000 0.000000 
1 1 1   25    8    1 o  139.547   3.7419  199.152   10.278 -12.12051 7.483795 
1 1 1   25    8    2 o   36.399   8.0259   11.986   8.0597 -22.13070 16.05189 
1 1 1   25    8    3 o   96.275   5.0120   94.810   9.5358 -2.589851 10.02394 
1 1 1   25    8    4 o   93.167   5.1082   92.482   8.9900 -15.93892 10.21647 
1 1 1   25    8    5 o  103.871   5.6622  111.090   11.693 2.551743 11.32440 
1 1 1   25    8    6 o  132.475   4.5365  177.536   11.705 -3.089264 9.072936 
1 1 1   25    8    7 f  131.847   3.6946  176.201   9.5590 -1.264404 7.389107 
1 1 1   25    8    8 o   91.982   6.4166   89.280   9.6072 -4.493233 12.83319 
1 1 1   25    8    9 o   65.531   5.6742   44.380   7.4032 -8.656086 11.34838 
1 1 1   25    8   10 o   38.100   8.6029   16.053   7.4037 1.470657 17.20589 
1 1 1   25    8   11 o  121.268   4.9905  151.585   11.728 -11.58981 9.981050 
1 1 1   25    8   12 o  212.640   6.7934  457.589   28.891      ?      ? 
1 1 1   25    8   13 o   77.007   5.1077   62.632   7.4214 -3.102974 10.21541 
1 1 1   25    8   14 o   81.630   5.2498   68.898   8.1993 1.119499 10.49962 
1 1 1   25    8   15 o   52.525   7.8637   30.727   7.4832 -2.890160 15.72745 
1 1 1   25    8   16 o   54.062   8.0974   40.017   8.1565 -8.312073 16.19476 
1 1 1   25    9    0 o   28.111   11.032   9.2618   10.007 0.000000 0.000000 
1 1 1   25    9    1 o   91.021   4.2506   84.359   7.7206 3.020615 8.501101 
1 1 1   25    9    2 o   28.999   8.2128   4.3963   7.2549 -6.867805 16.42556 
1 1 1   25    9    3 o   39.513   8.5572   16.401   7.4289 -8.665104 17.11440 
1 1 1   25    9    4 o   89.835   5.0928   81.169   8.8502 -6.329391 10.18553 
1 1 1   25    9    5 f   51.948   7.8675   29.666   7.8929 -0.2388191 15.73503 
1 1 1   25    9    6 o  128.005   4.1779  164.101   10.436 11.01411 8.355718 
1 1 1   25    9    7 o   54.729   9.1249   35.063   10.019 -16.87411 18.24984 
1 1 1   25    9    8 f   59.660   11.799   38.115   13.577      ?      ? 
1 1 1   25    9    9 o   85.132   10.885   73.987   18.533      ?      ? 
1 1 1   25    9   10 o   38.468   10.658   11.271   11.941 -8.570049 21.31652 
1 1 1   25    9   11 o   80.791   5.3966   66.842   8.5096 -5.951416 10.79313 
1 1 1   25    9   12 o   60.747   6.1739   38.803   7.4617 8.793201 12.34786 
1 1 1   25    9   13 o   59.210   6.8090   37.919   7.8272 -1.457352 13.61801 
1 1 1   25    9   14 o  113.521   4.4090  130.618   9.7953 9.696609 8.817960 
1 1 1   25    9   16 o   21.937   7.7011 -34.1771   11.747 7.878239 15.40218 
1 1 1   25   10    0 o   13.599   7.0618 -30.6407   10.696 0.000000 0.000000 
1 1 1   25   10    1 o   42.853   8.2744   20.012   7.3167 4.222500 16.54884 
1 1 1   25   10    2 f   17.821   6.2207 -23.5579   7.8055 -3.229183 12.44135 
1 1 1   25   10    3 o   48.837   8.7598   25.914   8.4128 -2.934746 17.51961 
1 1 1   25   10    4 o   92.455   5.6289   92.503   9.4544 -44.99812 11.25777 
1 1 1   25   10    5 o   70.048   6.2527   49.043   8.4622 3.511299 12.50546 
1 1 1   25   10    6 o  153.708   5.3968  204.671   15.045 91.17150 10.79352 
1 1 1   25   10    7 o   23.547   7.7146 -13.0067   9.1461 12.09976 15.42928 
1 1 1   25   10    8 o   48.273   8.6118   25.370   8.4137 -18.25200 17.22368 
1 1 1   25   10    9 o   59.248   9.4047   37.335   10.674 -22.09225 18.80932 
1 1 1   25   10   10 o   74.484   5.2576   57.656   7.8320 0.3781815 10.51528 
1 1 1   25   10   11 o   99.939   4.6883  103.696   9.0658 -2.068222 9.376628 
1 1 1   25   10   12 o   26.827   8.1698   2.9141   7.9447 -0.3143520 16.33970 
1 1 1   25   10   13 o   21.906   7.7296 -46.3707   13.378 3.550549 15.45921 
1 1 1   25   10   14 o   26.252   8.8209 -24.0026   12.235 12.61278 17.64181 
1 1 1   25   11    0 o   51.469   12.968   42.096   12.952 0.000000 0.000000 
1 1 1   25   11    1 o   87.575   4.7709   78.201   8.2151 -5.745445 9.541741 
1 1 1   25   11    2 o   44.659   7.6313   22.441   6.8531 -11.86098 15.26268 
1 1 1   25   11    3 o   32.569   8.4827   9.3967   7.2890 6.196260 16.96545 
1 1 1   25   11    4 o   21.872   7.0536  -5.0581   6.8606 0.9613438 14.10712 
1 1 1   25   11    5 o   48.302   7.4647   26.159   7.0463 -11.13390 14.92944 
1 1 1   25   11    6 f   46.204   8.1783   24.234   7.5295 -0.6048508 16.35662 
1 1 1   25   11    7 o   57.367   6.8782   35.604   7.6927 0.2604904 13.75642 
1 1 1   25   11    8 o   95.826   4.5380   92.958   8.6130 -14.33327 9.076057 
1 1 1   25   11    9 o  117.622   3.9804  143.898   9.3406 -2.402496 7.960753 
1 1 1   25   11   10 o   23.421   8.0303 -20.6986   9.7499 -13.19645 16.06056 
1 1 1   25   12    0 o   48.365   12.643   33.469   11.278 0.000000 0.000000 
1 1 1   25   12    1 o   35.254   9.6548   11.513   9.5723 -2.731972 19.30957 
1 1 1   25   12    2 o   50.973   8.6574   30.669   8.6889 -8.398300 17.31490 
1 1 1   25   12    3 o   30.787   8.4734   8.0592   7.6937 5.796125 16.94671 
1 1 1   25   12    4 o   26.959   7.9703   8.1600   7.1692 -2.983154 15.94060 
1 1 1   25   12    5 o   21.138   7.0180   31.069   7.6581 1.956472 14.03610 
1 1 1   25   12    6 o   36.003   9.1496   12.161   8.3555 -4.568512 18.29914 
1 1 1   25   12    7 o   73.726   11.293   55.992   16.652      ?      ? 
1 1 1   25   12    8 o   38.071   9.6042   14.169   9.6643 9.921364 19.20840 
1 1 1   26    0    0 o  267.374   7.7823  722.602   41.454 0.000000 0.000000 
1 1 1   26    0    1 o  261.280   5.4169  688.428   28.251 0.000000 0.000000 
1 1 1   26    0    2 o  134.982   6.1445  184.297   15.712 0.000000 0.000000 
1 1 1   26    0    3 o  114.061   6.5391  143.960   12.824 0.000000 0.000000 
1 1 1   26    0    4 f  205.106   5.5436  429.418   19.986 0.000000 0.000000 
1 1 1   26    0    5 o  233.411   5.8673  547.458   27.351 0.000000 0.000000 
1 1 1   26    0    6 o  309.441   6.9509  963.411   42.969 0.000000 0.000000 
1 1 1   26    0    7 o   58.569   11.514   44.837   10.909 0.000000 0.000000 
1 1 1   26    0    8 o   39.603   12.736   23.708   10.655 0.000000 0.000000 
1 1 1   26    0    9 o  105.476   8.2129  117.259   16.828 0.000000 0.000000 
1 1 1   26    0   10 o  115.594   7.5623  140.574   17.032 0.000000 0.000000 
1 1 1   26    0   11 o  264.179   6.1449  710.714   28.540 0.000000 0.000000 
1 1 1   26    0   12 o   37.936   12.573   19.801   11.234 0.000000 0.000000 
1 1 1   26    0   13 o   49.328   12.348   32.416   10.883 0.000000 0.000000 
1 1 1   26    0   14 o   32.710   11.545   17.003   9.4339 0.000000 0.000000 
1 1 1   26    0   15 o   92.204   6.5758   92.381   10.824 0.000000 0.000000 
1 1 1   26    0   16 o  214.110   5.8531  461.851   25.023 0.000000 0.000000 
1 1 1   26    0   17 o   18.942   9.6539 -34.0506   16.691 0.000000 0.000000 
1 1 1   26    0   18 o   66.960   9.4679   53.743   10.114 0.000000 0.000000 
1 1 1   26    0   19 o  168.628   5.0032  293.016   15.297 0.000000 0.000000 
1 1 1   26    0   20 o  117.919   5.7806  158.583   12.910 0.000000 0.000000 
1 1 1   26    0   21 o  319.284   8.7679  1045.16   55.567 0.000000 0.000000 
1 1 1   26    1    0 o  241.808   6.0815  579.047   25.103 0.000000 0.000000 
1 1 1   26    1    1 f  154.031   3.4940  238.380   10.757 -1.513275 6.988047 
1 1 1   26    1    2 o   78.725   9.0847   71.689   10.801 -16.44950 18.16948 
1 1 1   26    1    3 o  170.044   3.3960  290.468   11.549 1.914764 6.792086 
1 1 1   26    1    4 o  179.779   3.9011  324.986   14.025 -3.016571 7.802162 
1 1 1   26    1    5 f  144.966   4.9583  211.973   14.359 -9.306290 9.916544 
1 1 1   26    1    6 o  193.982   4.1618  375.864   15.142 -4.033234 8.323572 
1 1 1   26    1    7 o  123.277   4.6763  156.416   10.654 6.373276 9.352658 
1 1 1   26    1    8 o  117.701   4.5425  139.977   10.011 -0.2158051 9.084991 
1 1 1   26    1    9 o  114.020   5.4123  128.675   12.112 -30.67844 10.82460 
1 1 1   26    1   10 o  120.050   4.7050  146.355   11.234 -0.8210907 9.410013 
1 1 1   26    1   11 o  151.782   3.5849  232.852   10.841 -16.43858 7.169755 
1 1 1   26    1   12 o  165.635   3.9739  277.275   13.013 1.017883 7.947804 
1 1 1   26    1   13 o  148.226   3.4073  221.452   10.009 -2.113815 6.814615 
1 1 1   26    1   14 o   76.887   4.5727   60.313   7.0262 1.349510 9.145357 
1 1 1   26    1   15 o   70.762   5.0645   51.286   7.1427 -7.033569 10.12891 
1 1 1   26    1   16 o   99.941   5.4587  103.997   10.452 10.52886 10.91746 
1 1 1   26    1   17 o   60.399   7.3623   37.800   8.5603 51.48917 14.72467 
1 1 1   26    1   18 o   82.225   4.4234   69.393   7.2386 -9.804901 8.846822 
1 1 1   26    1   19 o   58.452   7.5116   37.936   7.7859 4.455433 15.02311 
1 1 1   26    1   20 o   83.559   6.7534  168.023   11.047 13.63238 13.50672 
1 1 1   26    1   21 o  103.818   6.0944  111.894   12.529 -8.124161 12.18880 
1 1 1   26    2    0 o  153.120   6.1130  230.562   17.633 0.000000 0.000000 
1 1 1   26    2    1 o   73.969   5.7924   55.756   8.5007 10.26294 11.58476 
1 1 1   26    2    2 o   89.987   4.8698   81.819   8.7493 4.862686 9.739565 
1 1 1   26    2    3 o  300.081   4.1620  902.072   24.910 16.79852 8.323996 
1 1 1   26    2    4 o  170.417   4.1768  289.470   13.384 -4.274109 8.353577 
1 1 1   26    2    5 o   85.012   5.3352   73.139   9.0082 -0.7925720 10.67044 
1 1 1   26    2    6 o   86.067   5.1153   74.571   8.7376 3.947693 10.23051 
1 1 1   26    2    7 o   91.031   5.6492   82.158   10.113 13.48670 11.29843 
1 1 1   26    2    8 o   82.169   8.6274   75.823   11.063 12.69683 17.25489 
1 1 1   26    2    9 o  142.737   4.5269  208.572   12.600 8.027725 9.053791 
1 1 1   26    2   10 o  120.920   4.0086  148.783   9.5915 5.942528 8.017249 
1 1 1   26    2   11 o  100.734   5.8071  103.864   11.693 -4.577820 11.61427 
1 1 1   26    2   12 o  128.255   4.1883  163.101   9.9994 7.055443 8.376556 
1 1 1   26    2   13 o   81.459   4.8501   67.271   7.5916 1.491272 9.700129 
1 1 1   26    2   14 o  147.606   3.9049  224.342   11.181 -10.13280 7.809801 
1 1 1   26    2   15 o   47.082   8.4366   26.193   8.1902 -14.44477 16.87311 
1 1 1   26    2   16 o   99.502   5.9310   94.225   11.433 -30.68274 11.86201 
1 1 1   26    2   17 o   50.029   8.4959   28.874   8.2808 19.74961 16.99177 
1 1 1   26    2   18 o   80.060   5.7682   59.562   8.2766 19.43424 11.53638 
1 1 1   26    2   19 o   98.256   4.3919   99.444   8.4099 -0.2713699 8.783772 
1 1 1   26    2   20 o   35.912   8.8488  -0.3773   9.8714 -35.69761 17.69766 
1 1 1   26    3    0 o  103.787   7.1066  109.691   14.611 0.000000 0.000000 
1 1 1   26    3    1 o  125.487   5.0625  163.788   12.264 -33.93416 10.12492 
1 1 1   26    3    2 o  267.259   4.4927  699.300   23.591 -39.10303 8.985327 
1 1 1   26    3    3 o   96.792   6.9775   96.866   12.604 -45.65583 13.95508 
1 1 1   26    3    4 o  162.825   3.6842  267.173   11.884 2.313354 7.368332 
1 1 1   26    3    5 f  133.471   3.5555  179.337   9.4900 -2.911331 7.111004 
1 1 1   26    3    6 o  145.817   3.4387  214.174   10.028 -0.4939270E-01 6.877339 
1 1 1   26    3    7 o   91.308   8.0437   85.926   11.933 -102.0964 16.08743 
1 1 1   26    3    8 o  110.256   5.6634  123.415   12.461 -9.100151 11.32689 
1 1 1   26    3    9 f  166.831   3.6018  279.637   11.859 4.118225 7.203536 
1 1 1   26    3   10 o  143.677   3.3422  208.086   9.5987 -6.322250 6.684342 
1 1 1   26    3   11 o  179.646   4.0321  317.141   13.143 11.48811 8.064166 
1 1 1   26    3   12 o  177.891   4.1772  319.367   14.383 3.440765 8.354353 
1 1 1   26    3   13 o  158.127   3.4190  253.484   10.751 5.134705 6.838024 
1 1 1   26    3   14 o  100.195   4.4453  102.591   8.8992 -0.5590363 8.890541 
1 1 1   26    3   15 o   46.013   9.0468   23.700   9.9100 24.57421 18.09368 
1 1 1   26    3   16 o   94.454   7.5264   90.270   14.218      ?      ? 
1 1 1   26    3   17 f   94.967   4.7879   93.033   9.0707 -8.994293 9.575812 
1 1 1   26    3   18 o  167.911   4.2181  245.408   12.042 46.85193 8.436109 
1 1 1   26    3   19 o  102.337   4.3076  109.972   7.9410 -6.238434 8.615286 
1 1 1   26    3   20 o  185.219   4.5723  340.745   16.636 -49.43442 9.144519 
1 1 1   26    4    0 o  200.606   5.8175  406.625   19.818 0.000000 0.000000 
1 1 1   26    4    1 o   29.864   8.2035   0.8481   8.1527 16.50428 16.40691 
1 1 1   26    4    2 o  239.033   3.6233  575.316   17.320 -2.319550 7.246538 
1 1 1   26    4    3 o  127.717   3.6839  164.363   9.3975 9.017761 7.367829 
1 1 1   26    4    4 o  114.098   5.1628  131.452   11.380 2.410881 10.32569 
1 1 1   26    4    5 o  234.255   4.3973  564.615   19.817 -16.94313 8.794641 
1 1 1   26    4    6 o   75.879   7.4894   67.861   9.5147 27.20840 14.97872 
1 1 1   26    4    7 o   52.337   8.9735   28.480   8.9271 -8.177059 17.94703 
1 1 1   26    4    8 o   94.752   4.8096   89.436   9.0192 13.81021 9.619288 
1 1 1   26    4    9 o   52.389   7.1842   29.284   7.3243 -14.90046 14.36841 
1 1 1   26    4   10 o  117.798   3.9372  142.706   9.0505 -10.76693 7.874483 
1 1 1   26    4   11 f   64.679   9.1847   45.479   8.7917 -3.970249 18.36937 
1 1 1   26    4   12 o  190.252   3.4710  365.718   13.014 0.1275482 6.941984 
1 1 1   26    4   13 o   40.823   8.1186   16.643   7.1499 18.34766 16.23724 
1 1 1   26    4   14 o   28.795   8.1287   5.1810   7.3082 -5.203884 16.25742 
1 1 1   26    4   15 o  261.472   4.8721  693.088   25.087 -8.914276 9.744214 
1 1 1   26    4   16 o   22.178   7.2059  -2.9654   7.0974 2.683662 14.41177 
1 1 1   26    4   17 o   90.914   5.2520   81.772   8.1558 7.000481 10.50410 
1 1 1   26    4   18 o  114.008   4.5357  135.239   8.4844 -3.647263 9.071383 
1 1 1   26    4   19 o   29.209   9.7416   28.302   11.314 13.53728 19.48324 
1 1 1   26    4   20 o  108.288   6.8144  132.281   13.568 -44.82322 13.62873 
1 1 1   26    5    0 o  161.796   5.9927  263.187   17.918 0.000000 0.000000 
1 1 1   26    5    1 f  164.581   3.3555  272.035   11.032 7.950699 6.711004 
1 1 1   26    5    2 o  288.078   4.3439  838.266   24.748 1.161499 8.687813 
1 1 1   26    5    3 o   77.695   5.2236   61.343   8.1153 -1.286079 10.44727 
1 1 1   26    5    4 o  121.697   4.9252  153.690   11.636 14.51466 9.850305 
1 1 1   26    5    5 o  121.096   4.4191  148.297   10.689 -8.526840 8.838285 
1 1 1   26    5    6 o  118.155   4.1120  140.312   9.6222 5.409058 8.223970 
1 1 1   26    5    7 o   66.601   6.8706   46.404   8.7976 15.93093 13.74115 
1 1 1   26    5    8 o  114.911   4.6284  132.711   9.8885 2.600998 9.256724 
1 1 1   26    5    9 f  119.745   4.4648  150.344   9.3474 -9.213089 8.929696 
1 1 1   26    5   10 o  116.438   4.5032  141.846   9.2148 -8.153648 9.006485 
1 1 1   26    5   11 o  141.138   3.3081  203.956   9.1658 -12.47510 6.616163 
1 1 1   26    5   12 o  103.478   3.7246  109.010   7.5989 -2.481422 7.449104 
1 1 1   26    5   13 f   99.695   3.9530  100.506   7.6995 3.616875 7.905906 
1 1 1   26    5   14 o  306.986   8.5692  954.885   52.612      ?      ? 
1 1 1   26    5   15 f   21.875   7.0700  -4.5382   7.2038 -3.440393 14.13991 
1 1 1   26    5   16 o   74.662   5.0058   58.257   6.7242 -3.159340 10.01168 
1 1 1   26    5   17 o   83.275   4.5618   68.250   7.0522 9.303032 9.123654 
1 1 1   26    5   18 o   43.455   9.2115   28.749   8.0762 -3.385155 18.42292 
1 1 1   26    5   19 o  155.488   5.5784  205.568   15.617 94.62661 11.15681 
1 1 1   26    6    0 o  163.232   4.8274  269.631   15.686 0.000000 0.000000 
1 1 1   26    6    1 o   57.908   8.7221   36.633   9.7289 2.487617 17.44419 
1 1 1   26    6    2 o  173.572   3.8825  304.397   13.473 2.302979 7.764958 
1 1 1   26    6    3 o   85.634   5.1227   73.845   8.6587 5.756180 10.24530 
1 1 1   26    6    4 o   40.244   8.6572   17.633   7.5950 -5.502068 17.31439 
1 1 1   26    6    5 o   96.583   4.7579   96.764   8.9645 -12.18365 9.515792 
1 1 1   26    6    6 o  247.668   4.5384  614.995   20.775 6.676147 9.076886 
1 1 1   26    6    7 o   64.763   6.9747   39.476   8.4513 16.82162 13.94939 
1 1 1   26    6    8 o   69.407   6.5451   53.762   8.1136 -17.07419 13.09010 
1 1 1   26    6    9 o  138.258   4.2213  178.091   9.9390 20.69131 8.442604 
1 1 1   26    6   10 o  133.911   3.6350  184.361   9.3348 -7.968658 7.270064 
1 1 1   26    6   11 o   77.618   4.9664   61.126   7.5018 4.750107 9.932840 
1 1 1   26    6   12 o   48.180   8.8166   22.381   9.6752 32.34649 17.63316 
1 1 1   26    6   13 o  263.248   7.4911  699.924   39.441      ?      ? 
1 1 1   26    6   14 o  141.789   3.8757  219.831   9.9089 -17.82973 7.751436 
1 1 1   26    6   15 o   32.054   8.1812   10.032   6.4954 0.8122635 16.36243 
1 1 1   26    6   16 o   41.394   8.2732   20.142   7.1672 -7.542385 16.54637 
1 1 1   26    6   17 o   44.417   8.3563   25.818   7.3278 -4.300365 16.71258 
1 1 1   26    6   18 o  199.040   4.3907  381.280   16.265 -104.1878 8.781450 
1 1 1   26    7    0 o   47.998   12.173   31.461   10.735 0.000000 0.000000 
1 1 1   26    7    1 o  103.497   4.2160  108.449   8.6722 0.7546997 8.431967 
1 1 1   26    7    2 o   70.545   5.8309   51.195   8.1707 -1.879768 11.66173 
1 1 1   26    7    3 o   96.608   4.9013   95.064   9.1434 -0.2725296 9.802621 
1 1 1   26    7    4 o   49.900   8.7019   26.589   8.4073 6.337803 17.40380 
1 1 1   26    7    5 o  102.959   4.6434  107.913   9.5249 -12.24889 9.286884 
1 1 1   26    7    6 o   58.009   9.0032   36.433   9.8763 4.195938 18.00637 
1 1 1   26    7    7 o  119.463   4.5082  137.963   9.2022 10.64829 9.016305 
1 1 1   26    7    8 o   79.373   5.9468   61.150   8.1680 8.730927 11.89363 
1 1 1   26    7    9 o   84.554   4.9500   73.440   8.2817 1.204117 9.900021 
1 1 1   26    7   10 o   18.647   6.4492 -18.7260   7.6284 3.685093 12.89845 
1 1 1   26    7   11 o  474.686   12.385  2318.93  117.583      ?      ? 
1 1 1   26    7   12 o  108.613   5.0331  119.981   10.905 -11.10829 10.06623 
1 1 1   26    7   13 o   47.742   7.5719   27.823   7.0251 -18.56644 15.14383 
1 1 1   26    7   14 o   84.146   4.6550   73.994   7.2486 -3.905327 9.310051 
1 1 1   26    7   15 o   34.505   8.5961   10.437   7.3089 14.05887 17.19219 
1 1 1   26    7   17 o  218.982   5.1252  485.838   22.430 -1.191101 10.25034 
1 1 1   26    8    0 o   42.409   13.301   26.800   11.610 0.000000 0.000000 
1 1 1   26    8    1 o   42.363   8.5658   19.639   7.5800 -0.1951180 17.13161 
1 1 1   26    8    2 o   54.150   7.3433   31.659   7.6213 0.1884155 14.68659 
1 1 1   26    8    3 o   58.640   6.9860   37.542   7.7638 13.09891 13.97193 
1 1 1   26    8    4 o   62.993   7.0335   40.518   8.5552 -5.768707 14.06709 
1 1 1   26    8    5 o   60.232   6.1126   37.597   7.3417 1.647648 12.22513 
1 1 1   26    8    6 o  142.471   3.8034  205.400   10.452 2.422150 7.606889 
1 1 1   26    8    7 o   38.357   9.6027   11.502   9.5845 -20.26912 19.20541 
1 1 1   26    8   10 f  100.652   10.380  106.001   20.896      ?      ? 
1 1 1   26    8   11 f   76.741   5.7905   65.250   8.2045 -14.03185 11.58098 
1 1 1   26    8   12 o   61.020   7.0517   42.484   7.6040 -11.65207 14.10345 
1 1 1   26    8   13 o  123.208   4.1091  155.384   8.9802 -1.102371 8.218148 
1 1 1   26    8   14 o   59.051   7.5518   34.788   7.9073 11.72390 15.10353 
1 1 1   26    8   15 o   99.296   6.2316  104.108   12.233 -12.83295 12.46326 
1 1 1   26    8   16 o   51.075   9.0474  -6.3021   11.824 65.31270 18.09489 
1 1 1   26    9    0 o   20.064   9.5115  -4.2854   10.524 0.000000 0.000000 
1 1 1   26    9    1 o   23.776   7.4463  -3.4595   7.2856 -5.952076 14.89254 
1 1 1   26    9    2 o   62.195   6.4506   40.201   8.0000 -4.033234 12.90123 
1 1 1   26    9    3 f   25.554   8.1279  -6.8150   8.4854 -9.712923 16.25572 
1 1 1   26    9    4 o   57.358   8.1615   35.343   9.0213 -5.232162 16.32304 
1 1 1   26    9    5 o   80.648   11.254   66.604   18.152      ?      ? 
1 1 1   26    9    6 o   52.578   11.620   28.434   13.338 6.253990 23.24028 
1 1 1   26    9    7 o   42.294   9.8723   3.8918   12.076 37.05634 19.74456 
1 1 1   26    9    8 o   76.329   6.1090   64.508   9.2717 -0.3655396 12.21791 
1 1 1   26    9    9 o   46.824   9.4308   23.639   8.7638 -7.062511 18.86151 
1 1 1   26    9   10 o   77.162   5.1683   61.444   7.9435 -8.808899 10.33666 
1 1 1   26    9   11 o   61.192   7.4429   41.495   8.7699 -7.386940 14.88588 
1 1 1   26    9   12 o   76.326   5.8145   61.213   8.8622 -5.838478 11.62899 
1 1 1   26    9   13 f   71.311   8.2988   56.196   10.936 36.33442 16.59761 
1 1 1   26   10    0 o   30.947   12.073   16.856   11.173 0.000000 0.000000 
1 1 1   26   10    1 o   44.527   8.8449   24.901   8.1624 -9.275486 17.68986 
1 1 1   26   10    2 o   85.826   4.5956   78.786   7.8635 9.657372 9.191282 
1 1 1   26   10    3 o   66.046   6.1283   46.267   7.9676 15.99681 12.25650 
1 1 1   26   10    4 o   39.708   8.4771   17.669   7.2993 1.994316 16.95424 
1 1 1   26   10    5 o   23.591   7.4422  -4.9841   7.3135 8.113594 14.88445 
1 1 1   26   10    6 o   29.043   7.9614   5.9030   6.9889 -8.195370 15.92275 
1 1 1   26   10    7 o  100.938   4.0272  104.203   8.1248 1.409798 8.054473 
1 1 1   26   10    8 o   62.466   6.5856   41.376   8.1658 2.163807 13.17119 
1 1 1   26   10    9 o   63.088   6.4824   42.365   8.1691 3.558052 12.96487 
1 1 1   26   10   10 o   21.649   7.2894  -1.3075   8.5960 -2.897556 14.57889 
1 1 1   26   10   12 o  172.080   7.4177  302.861   25.529      ?      ? 
1 1 1   26   11    0 o   84.423   6.9039   76.541   11.389 0.000000 0.000000 
1 1 1   26   11    1 o   66.370   7.6867   48.569   9.0399 -3.528427 15.37334 
1 1 1   26   11    2 o   23.442   7.5259  -4.1903   7.5721 1.893917 15.05189 
1 1 1   26   11    3 o   64.337   5.7693   43.491   7.4098 -5.462059 11.53858 
1 1 1   26   11    4 o   51.389   7.5782   29.626   7.4508 1.593552 15.15633 
1 1 1   26   11    5 o   52.267   7.2931   30.454   7.4426 8.952888 14.58616 
1 1 1   26   11    6 o   45.559   8.3171   30.814   7.7775 11.25680 16.63414 
1 1 1   26   11    7 o   39.540   9.5016   20.779   9.0441 -7.246201 19.00329 
1 1 1   26   11    8 o  114.187   5.8653  133.675   12.937 -4.172050 11.73066 
1 1 1   26   12    0 o   50.946   13.676   40.187   15.804 0.000000 0.000000 
1 1 1   26   12    2 o  267.679   8.6006  730.124   46.044      ?      ? 
1 1 1   26   12    3 o  215.537   4.9061  420.553   19.477 59.08362 9.812251 
1 1 1   26   12    4 o   41.715   9.4900   19.878   9.0617 5.236481 18.98004 
1 1 1   27    0    1 o   49.684   14.404   36.238   16.826 0.000000 0.000000 
1 1 1   27    0    2 o  216.804   7.0729  479.283   30.505 0.000000 0.000000 
1 1 1   27    0    3 o  182.914   5.3184  343.026   17.415 0.000000 0.000000 
1 1 1   27    0    4 o   37.335   12.582   21.453   10.581 0.000000 0.000000 
1 1 1   27    0    5 o  185.057   5.3181  342.309   17.303 0.000000 0.000000 
1 1 1   27    0    6 o   30.370   11.952   7.9844   10.545 0.000000 0.000000 
1 1 1   27    0    7 o  146.921   5.9189  223.755   16.731 0.000000 0.000000 
1 1 1   27    0    8 o   94.209   9.3352   92.685   17.274 0.000000 0.000000 
1 1 1   27    0    9 o   22.887   14.027   5.3414   12.040 0.000000 0.000000 
1 1 1   27    0   10 o   21.421   10.110  -2.5785   11.218 0.000000 0.000000 
1 1 1   27    0   11 o   84.710   6.7682   72.495   10.547 0.000000 0.000000 
1 1 1   27    0   12 o   38.429   12.487   22.842   10.434 0.000000 0.000000 
1 1 1   27    0   13 o   51.458   11.643   35.706   10.515 0.000000 0.000000 
1 1 1   27    0   14 o   55.069   11.191   39.468   10.175 0.000000 0.000000 
1 1 1   27    0   16 o  155.225   5.9430  248.070   18.391 0.000000 0.000000 
1 1 1   27    0   17 o   47.870   11.559   32.282   10.051 0.000000 0.000000 
1 1 1   27    0   18 o  152.321   4.9167  241.494   13.832 0.000000 0.000000 
1 1 1   27    0   19 o  125.351   7.3487  165.719   18.292 0.000000 0.000000 
1 1 1   27    1    0 o   93.783   7.3399   91.450   12.317 0.000000 0.000000 
1 1 1   27    1    1 o  160.950   3.7201  259.726   11.763 -4.196976 7.440240 
1 1 1   27    1    2 o  156.789   3.6894  245.233   11.377 -8.470093 7.378833 
1 1 1   27    1    3 f  184.224   3.3562  341.693   12.364 -1.331863 6.712347 
1 1 1   27    1    4 o   46.683   8.1871   23.668   7.6724 8.125828 16.37423 
1 1 1   27    1    5 f  241.791   3.8982  589.557   18.647 -0.3180237 7.796313 
1 1 1   27    1    6 o  100.159   6.1831  100.513   11.693 -46.21226 12.36622 
1 1 1   27    1    7 o  146.936   4.5156  217.470   12.892 3.513870 9.031201 
1 1 1   27    1    8 o   77.394   6.4074   61.129   9.2129 1.043884 12.81489 
1 1 1   27    1    9 o   55.988   7.5942   35.501   7.9743 17.93094 15.18830 
1 1 1   27    1   10 o  152.564   5.2014  227.015   13.599 -11.77037 10.40273 
1 1 1   27    1   11 o   48.691   8.8177   25.530   8.1457 -2.467693 17.63537 
1 1 1   27    1   12 o   76.040   4.7853   59.377   7.2361 6.760948 9.570677 
1 1 1   27    1   13 o  125.599   3.3550  159.710   8.4277 -0.4443207 6.710032 
1 1 1   27    1   14 o   45.015   7.3324   12.775   9.8956 -47.26735 14.66486 
1 1 1   27    1   15 o  141.485   4.5294  191.533   12.485 39.82341 9.058764 
1 1 1   27    1   16 o   44.573   8.2192   23.504   7.4256 4.829540 16.43832 
1 1 1   27    1   17 o  104.527   3.9069  110.041   8.0430 8.584267 7.813777 
1 1 1   27    1   18 o   72.201   4.8654   54.219   6.9489 -2.209572 9.730851 
1 1 1   27    2    0 o   69.811   10.571   60.554   11.284 0.000000 0.000000 
1 1 1   27    2    1 o   89.056   4.6252   80.368   8.2359 0.8757248 9.250363 
1 1 1   27    2    2 o  127.649   3.9611  164.494   9.9897 -0.1421280 7.922212 
1 1 1   27    2    3 o  122.679   4.4595  146.839   10.365 12.85968 8.919056 
1 1 1   27    2    4 o  101.208   4.1717  103.512   8.4397 3.206131 8.343350 
1 1 1   27    2    5 o   76.036   5.2505   58.855   7.9716 2.726120 10.50101 
1 1 1   27    2    6 o  152.595   4.4439  238.263   13.256 8.479279 8.887784 
1 1 1   27    2    7 o  135.189   4.5030  183.929   11.839 -4.117172 9.005947 
1 1 1   27    2    8 o  146.751   3.9107  217.653   11.475 4.778992 7.821390 
1 1 1   27    2    9 o  162.678   3.7253  267.216   12.104 1.605255 7.450661 
1 1 1   27    2   10 o   96.641   5.1028   94.418   9.4649 3.065926 10.20553 
1 1 1   27    2   11 o  104.043   3.9657  108.999   7.9861 2.417801 7.931396 
1 1 1   27    2   12 o  115.727   3.9574  137.334   9.0603 -10.90695 7.914804 
1 1 1   27    2   13 o   61.535   6.4400   40.072   7.8121 -1.151546 12.88007 
1 1 1   27    2   14 o   18.077   9.1243 -50.6869   15.689      ?      ? 
1 1 1   27    2   15 o  174.013   6.2287  233.797   16.132 175.9869 12.45737 
1 1 1   27    2   16 o  114.471   4.3059  129.720   9.6720 -18.75947 8.611734 
1 1 1   27    2   17 o   48.836   7.6409   27.611   7.4180 -16.57493 15.28174 
1 1 1   27    2   18 o   90.009   5.5234   79.186   8.4881 9.834999 11.04679 
1 1 1   27    2   19 o   93.812   9.8426   90.458   18.467      ?      ? 
1 1 1   27    3    0 o   58.528   12.866   41.808   12.611 0.000000 0.000000 
1 1 1   27    3    1 o  155.071   3.4131  242.089   10.584 0.1512451 6.826153 
1 1 1   27    3    2 o  166.995   3.3696  280.701   11.253 0.8218842 6.739209 
1 1 1   27    3    3 o   94.244   5.9673   95.209   10.661 22.26500 11.93464 
1 1 1   27    3    4 o  137.299   3.7850  189.858   10.282 1.558746 7.570063 
1 1 1   27    3    5 o  155.619   3.6095  245.174   11.146 4.989105 7.219059 
1 1 1   27    3    6 o   48.341   9.2635   24.912   8.7904 -3.866112 18.52702 
1 1 1   27    3    7 o  173.277   3.5787  303.064   12.278 -0.4238281 7.157461 
1 1 1   27    3    8 o  138.508   3.6452  193.531   9.9645 0.6078033 7.290341 
1 1 1   27    3    9 o   51.172   8.6703   28.769   8.6373 -0.4524918 17.34063 
1 1 1   27    3   10 o   70.381   5.9158   52.090   8.1310 -14.94329 11.83160 
1 1 1   27    3   11 o  107.382   3.6217  116.602   7.7733 3.699318 7.243312 
1 1 1   27    3   12 o   43.232   7.7542   20.546   6.7092 3.398022 15.50838 
1 1 1   27    3   13 f   18.731   6.3386 -12.8135   6.7838 2.639042 12.67724 
1 1 1   27    3   14 o  252.422   7.5543  643.573   38.137      ?      ? 
1 1 1   27    3   15 o   59.420   7.1333   42.067   8.0085 24.58207 14.26659 
1 1 1   27    3   16 o  117.440   3.8046  139.282   8.8886 14.82678 7.609201 
1 1 1   27    3   17 f   86.860   4.4925   78.829   7.6892 -9.855804 8.984979 
1 1 1   27    3   18 o   27.533   8.8360   41.579   10.579 12.22621 17.67208 
1 1 1   27    3   19 o  103.946   6.4853  106.046   13.135 -32.27389 12.97065 
1 1 1   27    4    0 o  167.642   5.4371  284.939   15.866 0.000000 0.000000 
1 1 1   27    4    1 o  115.086   3.8967  132.969   8.9386 8.497704 7.793325 
1 1 1   27    4    2 o   76.833   5.1618   60.111   7.9303 -1.348541 10.32357 
1 1 1   27    4    3 o  153.216   3.6648  237.808   11.151 5.349503 7.329508 
1 1 1   27    4    4 o  144.986   3.7081  212.517   10.697 1.749954 7.416106 
1 1 1   27    4    5 o  174.247   3.3151  305.824   11.547 3.500198 6.630235 
1 1 1   27    4    6 o  129.428   4.1509  169.592   10.742 -3.667847 8.301737 
1 1 1   27    4    7 o   78.531   5.7936   63.735   9.0005 -12.71834 11.58718 
1 1 1   27    4    8 o  127.291   3.7806  162.421   9.4241 5.469360 7.561278 
1 1 1   27    4    9 o   76.410   5.5570   60.133   8.4612 -6.785202 11.11405 
1 1 1   27    4   10 o   82.656   4.4433   69.516   7.3366 -1.745834 8.886586 
1 1 1   27    4   11 o   81.823   4.3330   68.391   7.0786 3.122574 8.665919 
1 1 1   27    4   12 o  136.154   3.1871  187.857   8.6778 2.241089 6.374190 
1 1 1   27    4   13 o   94.730   8.2722   90.899   15.672      ?      ? 
1 1 1   27    4   14 o   16.763   5.8746 -23.8018   7.4904 0.6919785 11.74930 
1 1 1   27    4   15 o   91.877   4.2969   87.090   7.7407 -5.479179 8.593706 
1 1 1   27    4   16 o   46.983   7.3633   25.526   6.8368 -15.09115 14.72654 
1 1 1   27    4   17 o   84.418   5.5481   73.808   9.0441 3.460831 11.09622 
1 1 1   27    4   18 o   76.916   7.7973   59.693   10.928 41.68722 15.59459 
1 1 1   27    5    0 o   25.208   15.511   6.4385   14.836 0.000000 0.000000 
1 1 1   27    5    1 o  154.327   3.6532  239.702   11.175 -3.356720 7.306329 
1 1 1   27    5    2 o  117.951   4.0588  141.662   9.4829 6.555099 8.117640 
1 1 1   27    5    3 o  187.811   3.3217  355.445   12.476 -3.044556 6.643465 
1 1 1   27    5    4 o  145.404   3.3607  213.093   9.7663 1.488617 6.721322 
1 1 1   27    5    5 o   34.525   10.364   5.3920   9.5358 8.836954 20.72860 
1 1 1   27    5    6 o  174.369   4.2911  306.381   14.539 4.877411 8.582109 
1 1 1   27    5    7 o   60.845   7.1919   39.213   8.5389 -1.629261 14.38383 
1 1 1   27    5    8 o   90.159   5.3912   81.870   8.2522 1.943359 10.78242 
1 1 1   27    5    9 o  171.658   3.5920  300.490   12.177 -8.779007 7.183974 
1 1 1   27    5   10 o   29.787   8.4368   5.8363   7.6080 0.9265709 16.87360 
1 1 1   27    5   11 o   83.559   4.6735   73.548   7.5679 -16.40514 9.346974 
1 1 1   27    5   13 o   28.325   8.0340  -0.1277   8.0138 -15.63545 16.06807 
1 1 1   27    5   14 o   84.626   4.4356   72.665   7.1873 1.915077 8.871140 
1 1 1   27    5   15 o   72.944   4.9803   54.671   6.9360 1.103546 9.960547 
1 1 1   27    5   16 o   58.748   6.0428   34.840   6.7491 7.325283 12.08562 
1 1 1   27    5   18 o   34.046   8.1529   0.7514   8.9064 30.78909 16.30580 
1 1 1   27    6    0 o  120.159   6.5458  150.838   14.640 0.000000 0.000000 
1 1 1   27    6    1 o  113.818   4.4458  132.540   9.2035 -2.680641 8.891669 
1 1 1   27    6    2 o   77.709   7.9295   61.386   8.9693 1.982361 15.85896 
1 1 1   27    6    3 o   66.472   9.0304   53.248   8.5211 -15.24877 18.06081 
1 1 1   27    6    4 o   82.503   6.9441   61.218   9.3065 18.05955 13.88815 
1 1 1   27    6    5 o  130.744   3.8286  175.338   9.7653 -8.863159 7.657228 
1 1 1   27    6    6 o   49.770   8.3789   29.184   7.6752 -12.27325 16.75772 
1 1 1   27    6    7 o  156.355   4.1810  245.811   12.040 3.706955 8.361985 
1 1 1   27    6    8 o   35.555   8.8473   12.103   7.3979 5.572670 17.69452 
1 1 1   27    6    9 o   57.879   7.3215   36.417   7.8551 -1.182388 14.64305 
1 1 1   27    6   10 o   73.781   9.3735   59.843   13.457 57.61604 18.74701 
1 1 1   27    6   11 o  211.813   6.9608  452.762   29.488      ?      ? 
1 1 1   27    6   12 o   19.751   6.6922  -9.3456   7.2284 2.625521 13.38434 
1 1 1   27    6   13 o   35.552   7.9579   14.044   6.6067 -9.146217 15.91590 
1 1 1   27    6   14 o   32.694   8.2345   9.4027   6.4827 10.22755 16.46907 
1 1 1   27    6   15 o   33.497   8.3070   11.775   6.7330 -2.110722 16.61410 
1 1 1   27    6   16 o   54.187   7.9395   31.857   8.0827 8.741463 15.87907 
1 1 1   27    6   17 o   29.977   8.3639  -3.5375   9.0324 21.48171 16.72771 
1 1 1   27    7    0 o  104.015   6.9818  112.814   13.759 0.000000 0.000000 
1 1 1   27    7    1 o   32.184   8.7610   8.2213   7.9342 0.3942108 17.52203 
1 1 1   27    7    2 o   68.098   5.8532   48.311   7.8842 5.451515 11.70647 
1 1 1   27    7    3 o   44.152   8.8170   21.421   8.0335 -2.728161 17.63397 
1 1 1   27    7    4 o  100.593   4.9189  103.345   9.8721 9.844101 9.837871 
1 1 1   27    7    5 o   80.780   5.3450   67.309   8.4059 -0.5604477 10.69008 
1 1 1   27    7    6 o   54.699   8.3947   38.211   7.8942 -18.81544 16.78947 
1 1 1   27    7    7 o   48.958   8.0200   31.713   8.9630 -34.10484 16.03992 
1 1 1   27    7    9 o   80.075   11.627   65.722   18.621      ?      ? 
1 1 1   27    7   11 o   31.122   8.9796   5.0239   8.6864 7.286863 17.95916 
1 1 1   27    7   12 o   52.997   8.1856   33.856   8.1747 -15.23397 16.37126 
1 1 1   27    7   13 o   44.501   8.8630   22.045   7.6130 2.699322 17.72601 
1 1 1   27    7   14 o   67.291   5.8018   47.595   7.2109 3.386414 11.60354 
1 1 1   27    7   15 o   23.531   7.6353 -20.9224   9.3931 14.30628 15.27062 
1 1 1   27    8    0 o   22.886   10.440   2.6126   10.688 0.000000 0.000000 
1 1 1   27    8    1 o   22.264   7.2371  -6.9999   7.5144 -2.983086 14.47413 
1 1 1   27    8    2 o   94.044   5.2109   92.248   9.5223 7.000938 10.42177 
1 1 1   27    8    3 o   87.711   4.7778   78.195   8.3692 1.300705 9.555528 
1 1 1   27    8    4 o   21.544   7.1381 -11.3078   7.8518 -2.335342 14.27612 
1 1 1   27    8    5 o  111.088   7.7478  124.803   17.214      ?      ? 
1 1 1   27    8    6 o  120.266   6.4162  154.185   14.532 -43.36533 12.83239 
1 1 1   27    8    7 o   37.779   9.8976   10.814   10.706 14.52366 19.79524 
1 1 1   27    8    8 o   25.356   7.9968  -4.1598   8.3653 11.79811 15.99370 
1 1 1   27    8    9 o   31.327   8.7228   6.9885   7.9742 4.950703 17.44553 
1 1 1   27    8   10 o   71.446   5.4080   53.401   7.4545 -1.467522 10.81596 
1 1 1   27    8   11 o   78.199   6.4987   64.847   9.8835 -0.9040833E-01 12.99734 
1 1 1   27    8   12 o   30.004   8.6532   4.1612   8.6674 9.170048 17.30647 
1 1 1   27    8   13 o   33.725   9.0374   11.482   9.1624 14.48833 18.07479 
1 1 1   27    8   14 o  362.809   9.6815  1352.44   70.251      ?      ? 
1 1 1   27    9    0 o   41.595   14.129   28.490   13.637 0.000000 0.000000 
1 1 1   27    9    1 o   18.817   6.5596 -24.7578   8.5214 -5.348427 13.11912 
1 1 1   27    9    2 o   34.357   8.1227   10.903   7.9648 -20.40316 16.24550 
1 1 1   27    9    3 o   58.592   7.7421   42.010   8.8358 10.09953 15.48422 
1 1 1   27    9    4 o   22.742   7.3580  -4.5622   7.5196 -0.4150658 14.71610 
1 1 1   27    9    5 f   95.131   4.1197   92.233   7.8282 6.815598 8.239477 
1 1 1   27    9    6 o   63.574   5.8696   42.069   7.4472 4.036873 11.73921 
1 1 1   27    9    7 o   69.351   5.4989   50.222   7.6113 1.012383 10.99778 
1 1 1   27    9    8 o   38.012   8.8859   15.985   7.8548 -2.399342 17.77174 
1 1 1   27    9    9 o   48.209   8.5426   28.268   8.3540 -14.09832 17.08525 
1 1 1   27    9   10 o   33.524   9.0114   12.106   8.3882 2.246082 18.02274 
1 1 1   27    9   11 f   44.545   10.238   19.250   10.267 20.70787 20.47664 
1 1 1   27    9   12 o  142.964   8.9611  208.969   25.622      ?      ? 
1 1 1   27   10    0 o   40.866   12.718   26.192   10.910 0.000000 0.000000 
1 1 1   27   10    1 o   46.896   8.6821   26.364   8.5209 -14.64068 17.36426 
1 1 1   27   10    2 o   75.699   5.4864   59.190   8.2522 5.634354 10.97282 
1 1 1   27   10    3 o   88.685   4.7142   80.359   8.3016 -7.233124 9.428360 
1 1 1   27   10    4 o   62.244   6.0678   40.435   7.5020 -9.010098 12.13558 
1 1 1   27   10    5 o   33.410   8.4389   11.127   7.1323 -5.366707 16.87785 
1 1 1   27   10    6 o   43.537   8.2503   21.952   7.4072 7.312817 16.50060 
1 1 1   27   10    7 o   77.844   5.3378   74.968   8.2486 -13.35766 10.67560 
1 1 1   27   10    9 o  258.672   7.5102  678.055   38.854      ?      ? 
1 1 1   27   10   10 o   20.909   7.2214 -25.1260   9.6731 -9.966178 14.44285 
1 1 1   27   11    0 o   17.817   9.0730 -22.7777   13.909 0.000000 0.000000 
1 1 1   27   11    1 o   27.243   8.3318   0.9137   8.3019 -2.041365 16.66353 
1 1 1   27   11    2 o   30.508   9.1532   2.3232   9.7196 -0.8768959 18.30636 
1 1 1   27   11    3 o  140.604   6.1065  194.413   16.812 -27.03646 12.21294 
1 1 1   27   11    4 o  145.080   10.843  216.325   31.462      ?      ? 
1 1 1   27   11    5 o  267.588   5.9749  638.455   28.462 -72.38167 11.94985 
1 1 1   27   11    6 o   46.591   8.6594   20.482   9.3784 -36.44440 17.31885 
1 1 1   28    0    0 o  153.742   6.9203  240.811   21.087 0.000000 0.000000 
1 1 1   28    0    1 o  117.374   6.4807  142.312   14.735 0.000000 0.000000 
1 1 1   28    0    2 o   52.265   12.431   34.583   11.035 0.000000 0.000000 
1 1 1   28    0    3 o  177.406   5.2748  326.996   16.809 0.000000 0.000000 
1 1 1   28    0    4 o  242.427   5.8904  597.061   25.132 0.000000 0.000000 
1 1 1   28    0    5 o   84.859   8.2739   78.142   12.814 0.000000 0.000000 
1 1 1   28    0    6 o   59.861   11.036   46.298   10.759 0.000000 0.000000 
1 1 1   28    0    7 o  102.592   6.0209  105.982   11.289 0.000000 0.000000 
1 1 1   28    0    8 o  164.159   5.3169  278.815   17.079 0.000000 0.000000 
1 1 1   28    0    9 o   24.405   10.568   6.0360   9.2702 0.000000 0.000000 
1 1 1   28    0   10 o   93.333   6.3301   95.853   10.522 0.000000 0.000000 
1 1 1   28    0   11 o   29.103   15.181   13.337   11.415 0.000000 0.000000 
1 1 1   28    0   12 o  117.950   7.6560  142.843   17.905 0.000000 0.000000 
1 1 1   28    0   13 o  276.139   7.8426  767.563   42.798 0.000000 0.000000 
1 1 1   28    0   14 o   40.914   11.054   27.696   9.2268 0.000000 0.000000 
1 1 1   28    0   15 f  132.244   5.1832  183.467   13.281 0.000000 0.000000 
1 1 1   28    0   16 o   45.745   11.710   29.634   9.7900 0.000000 0.000000 
1 1 1   28    0   17 o  119.705   6.4869  147.878   15.434 0.000000 0.000000 
1 1 1   28    1    0 o   78.020   8.8507   68.223   11.334 0.000000 0.000000 
1 1 1   28    1    1 o  136.639   3.5550  188.266   9.7126 -2.824493 7.110101 
1 1 1   28    1    2 o  106.927   4.0308  115.666   8.6189 -1.880852 8.061565 
1 1 1   28    1    3 o   70.304   8.8922   49.407   9.9064 5.299393 17.78447 
1 1 1   28    1    4 o   84.379   5.0842   73.043   8.4618 4.403336 10.16846 
1 1 1   28    1    5 o  101.693   4.7040  105.034   9.5660 -2.189064 9.407989 
1 1 1   28    1    6 o   75.775   5.7626   59.303   8.6503 -6.417870 11.52515 
1 1 1   28    1    7 o  195.387   3.8069  385.918   14.863 2.893402 7.613897 
1 1 1   28    1    8 o   75.348   5.3527   57.882   8.0439 -7.316383 10.70550 
1 1 1   28    1    9 o   90.501   4.5276   84.406   8.0163 -6.466049 9.055186 
1 1 1   28    1   10 o   98.207   4.1956   96.820   8.1446 8.101791 8.391191 
1 1 1   28    1   11 o   38.403   8.2124   15.969   7.0521 -10.44260 16.42480 
1 1 1   28    1   13 o  189.527   4.8052  357.040   18.074 -30.95461 9.610344 
1 1 1   28    1   14 o   94.709   6.3245  102.074   10.822 -54.02177 12.64909 
1 1 1   28    1   15 o   71.086   5.8086   42.467   7.3889 -35.68666 11.61716 
1 1 1   28    1   16 o   69.232   4.7954   49.176   6.5623 -3.379395 9.590890 
1 1 1   28    1   17 o   34.779   8.0679   14.977   6.4241 0.3498878 16.13575 
1 1 1   28    1   18 o  159.756   5.9759  212.798   15.852 -131.6236 11.95171 
1 1 1   28    2    0 o   75.636   9.9711   68.889   11.538 0.000000 0.000000 
1 1 1   28    2    1 o  132.999   3.8005  179.296   10.039 4.106308 7.601099 
1 1 1   28    2    2 o  217.180   3.4831  475.477   15.122 4.478622 6.966177 
1 1 1   28    2    3 o  123.212   3.9265  153.951   9.5962 3.238853 7.853033 
1 1 1   28    2    4 o   84.645   5.0789   71.875   8.5327 -11.55231 10.15785 
1 1 1   28    2    5 o   80.691   5.1710   65.405   8.2627 8.160889 10.34199 
1 1 1   28    2    6 o  136.328   3.4237  186.863   9.3166 8.124283 6.847358 
1 1 1   28    2    7 o   53.281   7.5964   30.616   7.8650 -5.417671 15.19278 
1 1 1   28    2    8 o  147.297   3.7422  218.534   10.996 -10.65189 7.484389 
1 1 1   28    2    9 o  106.384   3.8503  113.262   8.1035 -8.757484 7.700696 
1 1 1   28    2   10 o   53.529   6.8629   29.964   7.1431 11.21140 13.72588 
1 1 1   28    2   11 o  127.814   3.5342  166.754   8.8647 -1.847198 7.068471 
1 1 1   28    2   12 o   36.068   14.114   8.9278   14.768      ?      ? 
1 1 1   28    2   13 o   49.681   6.7180   14.971   8.8692 58.18448 13.43605 
1 1 1   28    2   14 o  104.022   4.1534  111.922   8.5043 -3.095963 8.306828 
1 1 1   28    2   15 o  142.158   3.6632  205.302   10.392 11.91713 7.326411 
1 1 1   28    2   16 o   74.454   5.1398   57.785   7.6434 5.100624 10.27950 
1 1 1   28    2   18 o  120.483   6.6873  147.183   16.114      ?      ? 
1 1 1   28    3    0 f  182.322   5.5953  333.203   17.417 0.000000 0.000000 
1 1 1   28    3    1 o   94.836   4.4502   91.157   8.4320 6.035812 8.900330 
1 1 1   28    3    2 o   84.954   5.4415   73.701   9.2193 8.553726 10.88301 
1 1 1   28    3    3 o  109.851   4.1823  122.777   9.1107 4.606071 8.364596 
1 1 1   28    3    4 o   77.327   5.4505   62.425   8.1926 -9.112389 10.90101 
1 1 1   28    3    5 o   90.765   5.3010   84.019   8.8655 -0.1869965 10.60203 
1 1 1   28    3    6 o  152.005   3.5798  232.294   10.695 4.179626 7.159544 
1 1 1   28    3    7 o   62.047   6.3535   40.093   7.7326 -2.558998 12.70693 
1 1 1   28    3    8 o  165.324   3.6951  276.757   12.217 1.840225 7.390162 
1 1 1   28    3    9 o  126.991   3.5541  161.821   8.9038 -6.649582 7.108237 
1 1 1   28    3   10 o  103.358   3.7066  108.918   7.6533 3.815849 7.413180 
1 1 1   28    3   11 o   87.773   5.9512   70.279   9.7420 -43.88844 11.90231 
1 1 1   28    3   12 o  161.474   4.7734  256.880   15.213 -22.55800 9.546876 
1 1 1   28    3   13 o   28.910   8.1120   7.0580   7.5303 7.997915 16.22409 
1 1 1   28    3   14 o   96.470   4.3062   95.432   8.2677 -3.045967 8.612450 
1 1 1   28    3   15 o   98.809   4.3709   87.283   7.7954 29.13158 8.741754 
1 1 1   28    3   16 o  100.153   4.4933  103.109   8.9740 -4.990944 8.986517 
1 1 1   28    3   17 o   31.462   8.5414   4.5934   8.2982 -13.98240 17.08280 
1 1 1   28    4    0 o   44.511   13.866   24.208   12.243 0.000000 0.000000 
1 1 1   28    4    1 o   53.145   9.1732   31.270   9.5349 -1.644703 18.34636 
1 1 1   28    4    2 o  162.503   3.3433  265.836   10.851 6.943466 6.686514 
1 1 1   28    4    3 o  110.781   3.8139  124.278   8.4446 -2.750671 7.627797 
1 1 1   28    4    4 o   55.323   8.4439   33.697   8.4289 -5.255898 16.88784 
1 1 1   28    4    5 o   81.824   8.8265   73.432   9.6785 -6.893005 17.65292 
1 1 1   28    4    6 o   42.084   8.1552   19.048   7.1953 11.04274 16.31036 
1 1 1   28    4    7 o   88.644   4.6226   81.156   8.0092 -6.152443 9.245287 
1 1 1   28    4    8 o   87.148   4.7766   77.926   8.2622 2.109917 9.553293 
1 1 1   28    4    9 o   91.288   4.5264   85.379   8.1672 -2.170868 9.052893 
1 1 1   28    4   10 o   59.642   7.3878   37.300   8.9867 -56.54623 14.77567 
1 1 1   28    4   11 o  261.967   5.4489  336.744   19.745 235.3413 10.89776 
1 1 1   28    4   12 o   22.983   7.3642  -7.1509   7.6661 8.304222 14.72841 
1 1 1   28    4   13 o   63.476   6.0960   41.718   7.5745 -2.041805 12.19194 
1 1 1   28    4   14 o   96.694   3.7859   95.060   7.3007 10.23298 7.571857 
1 1 1   28    4   15 o   36.881   7.8946   15.194   6.3119 1.209106 15.78912 
1 1 1   28    4   16 o   75.646   7.6711  111.807   9.7805 64.37059 15.34223 
1 1 1   28    4   17 o  120.129   4.0511  145.941   9.7272 -4.947136 8.102298 
1 1 1   28    5    0 o   88.722   8.2639   83.549   11.650 0.000000 0.000000 
1 1 1   28    5    1 o  124.657   4.5065  156.955   10.587 2.094666 9.013013 
1 1 1   28    5    2 o   74.526   6.5400   54.412   9.1409 10.97440 13.07997 
1 1 1   28    5    3 o   92.725   6.8501   96.745   9.8186 -15.06648 13.70025 
1 1 1   28    5    4 o   63.207   7.4829   44.141   8.1740 -7.965656 14.96570 
1 1 1   28    5    5 o   80.129   4.8408   66.050   7.6731 -3.781342 9.681629 
1 1 1   28    5    6 o   30.775   8.5499   6.8923   7.6950 -2.143234 17.09989 
1 1 1   28    5    7 o  111.081   3.7547  124.815   8.2854 5.137543 7.509403 
1 1 1   28    5    8 o   33.764   9.0479   10.198   8.4107 3.418121 18.09571 
1 1 1   28    5    9 o   20.401   7.1417 -35.6948   10.962 -2.130184 14.28341 
1 1 1   28    5   10 o  309.177   6.6970  475.853   26.461 239.9992 13.39391 
1 1 1   28    5   11 o   33.963   8.4043  -0.1048   9.1640 31.58864 16.80867 
1 1 1   28    5   12 o   23.129   7.2500  -2.4751   6.7646 -2.224279 14.50002 
1 1 1   28    5   13 o   87.574   4.2152   77.003   7.1974 7.619209 8.430343 
1 1 1   28    5   14 o   81.398   4.5927   68.384   7.0749 -0.5497208 9.185364 
1 1 1   28    5   16 f  130.660   3.9977  171.926   10.392 -18.15241 7.995461 
1 1 1   28    6    0 o   38.872   16.163   22.267   12.465 0.000000 0.000000 
1 1 1   28    6    1 o   79.350   5.4608   64.483   8.6374 -8.533707 10.92153 
1 1 1   28    6    2 o   67.555   6.7278   48.317   8.9348 -6.005516 13.45550 
1 1 1   28    6    3 o   88.053   4.9987   78.344   8.4030 4.055984 9.997334 
1 1 1   28    6    4 o   40.062   8.6651   17.568   7.2039 0.5472679 17.33020 
1 1 1   28    6    5 o  118.472   4.7076  150.477   9.2896 -10.73151 9.415290 
1 1 1   28    6    6 o   46.128   7.7268   27.934   8.1823 -31.22544 15.45351 
1 1 1   28    6    7 o   16.042   7.9722 -24.0782   9.9036      ?      ? 
1 1 1   28    6    8 o  112.141   5.5324  126.438   12.408      ?      ? 
1 1 1   28    6    9 o   32.448   13.870   2.4493   15.983      ?      ? 
1 1 1   28    6   10 f  120.584   4.5155  150.148   9.4702 -1.400330 9.030916 
1 1 1   28    6   11 o   64.676   6.2671   43.478   8.0013 5.442341 12.53424 
1 1 1   28    6   12 f   34.281   9.0677   11.090   8.4200 -2.816570 18.13534 
1 1 1   28    6   13 o   93.158   4.3050   88.760   7.7246 1.115196 8.610078 
1 1 1   28    6   14 o   16.507   5.7900  -0.0221   6.9337 1.393408 11.57998 
1 1 1   28    6   15 o  111.157   5.8804  127.179   11.908 -61.63815 11.76079 
1 1 1   28    7    0 o   33.011   12.675   16.866   11.741 0.000000 0.000000 
1 1 1   28    7    1 o   83.303   5.7809   68.113   9.4038 -23.99641 11.56190 
1 1 1   28    7    3 o   23.809   11.361 -18.5162   14.951      ?      ? 
1 1 1   28    7    4 o   45.199   11.935   21.743   10.950      ?      ? 
1 1 1   28    7    5 o  163.550   5.0284  231.441   15.204 67.81696 10.05679 
1 1 1   28    7    6 o  157.762   8.1084  253.404   25.584      ?      ? 
1 1 1   28    7    8 o   49.363   8.4747   26.969   7.9910 4.216862 16.94943 
1 1 1   28    7    9 o   35.748   9.0209   12.964   8.0279 2.309956 18.04172 
1 1 1   28    7   10 o   72.871   5.4711   53.608   7.6057 6.764359 10.94220 
1 1 1   28    7   11 o   50.317   8.4163   29.084   8.9336 23.20644 16.83267 
1 1 1   28    7   12 o   61.990   7.0034   43.857   8.6817 0.9676704 14.00682 
1 1 1   28    7   14 o   20.977   7.0963 -18.8847   8.3576 9.703140 14.19262 
1 1 1   28    8    0 o   15.609   8.1823 -43.1832   14.103 0.000000 0.000000 
1 1 1   28    8    1 o   69.996   6.5609   52.380   9.1318 -8.489349 13.12175 
1 1 1   28    8    2 o   40.312   8.7026   19.379   8.5949 -21.35599 17.40524 
1 1 1   28    8    3 o   82.263   5.4513   73.616   8.7221 1.418076 10.90259 
1 1 1   28    8    4 o   63.917   5.9689   43.520   7.5950 -6.446304 11.93779 
1 1 1   28    8    5 o   36.377   8.1729   13.696   7.0843 -12.81956 16.34583 
1 1 1   28    8    6 o  137.792   3.4070  192.424   9.3564 3.701019 6.814058 
1 1 1   28    8    7 o   71.469   5.9536   52.239   8.2873 8.075706 11.90722 
1 1 1   28    8    8 o   31.896   8.3066   9.8019   7.2076 -6.529495 16.61325 
1 1 1   28    8    9 o   33.755   8.7437   11.198   7.4508 2.450851 17.48748 
1 1 1   28    8   10 o  108.038   4.6552  124.932   10.039 -9.528069 9.310328 
1 1 1   28    8   12 o  120.014   6.0682  109.916   12.379 -62.81135 12.13637 
1 1 1   28    9    0 o   60.369   10.401   44.883   10.923 0.000000 0.000000 
1 1 1   28    9    1 o  112.017   5.1452  125.718   10.293 6.990242 10.29037 
1 1 1   28    9    2 f   57.638   7.7600   37.619   8.5744 -12.95033 15.51991 
1 1 1   28    9    3 o   41.936   8.3474   19.933   7.3314 -4.794006 16.69477 
1 1 1   28    9    4 o   45.796   7.7626   23.470   6.9962 -4.308743 15.52528 
1 1 1   28    9    5 o   50.109   7.1972   27.894   6.9366 -1.260281 14.39442 
1 1 1   28    9    6 o   29.673   8.2355   6.7749   7.1699 -3.088747 16.47100 
1 1 1   28    9    7 o   26.557   8.0233   4.3108   7.5746 1.498659 16.04661 
1 1 1   28    9    8 o   49.510   7.5520   31.598   8.1455 -36.01897 15.10400 
1 1 1   28    9    9 f  316.531   8.7726  1020.55   55.536      ?      ? 
1 1 1   28    9   10 o   41.457   9.2472   18.234   9.8901 -20.56718 18.49442 
1 1 1   28   10    4 o   18.408   6.4262 -25.0795   8.3895 -2.872244 12.85248 
1 1 1   28   10    5 o  139.722   4.7203  193.415   13.013 -16.13899 9.440630 
1 1 1   28   10    6 o  169.534   6.8527  291.676   23.235      ?      ? 
1 1 1   28   10    7 o   21.883   10.495  -4.7401   13.179      ?      ? 
1 1 1   29    0    1 o   36.162   12.801   19.069   10.472 0.000000 0.000000 
1 1 1   29    0    2 o  110.784   6.2968  126.943   13.485 0.000000 0.000000 
1 1 1   29    0    3 o  110.765   6.4923  127.802   13.810 0.000000 0.000000 
1 1 1   29    0    4 o   94.273   6.7466   91.425   11.297 0.000000 0.000000 
1 1 1   29    0    5 o  184.026   5.6530  348.867   19.877 0.000000 0.000000 
1 1 1   29    0    6 o   30.612   12.127   14.129   11.241 0.000000 0.000000 
1 1 1   29    0    7 o  116.124   5.5641  141.927   11.426 0.000000 0.000000 
1 1 1   29    0    8 o   47.332   11.215   30.319   9.1893 0.000000 0.000000 
1 1 1   29    0    9 o  150.588   4.9021  241.304   13.555 0.000000 0.000000 
1 1 1   29    0   10 o   72.660   11.187   56.198   15.405 0.000000 0.000000 
1 1 1   29    0   11 o   82.335   9.2442   84.612   10.991 0.000000 0.000000 
1 1 1   29    0   12 o   95.782   5.9796  102.809   10.439 0.000000 0.000000 
1 1 1   29    0   13 f   20.524   9.4653  -0.1674   8.8196 0.000000 0.000000 
1 1 1   29    0   14 o   43.759   13.266   24.640   10.111 0.000000 0.000000 
1 1 1   29    0   15 o   36.603   16.021   20.629   12.131 0.000000 0.000000 
1 1 1   29    0   16 o   26.777   9.8115  -0.8790   10.435 0.000000 0.000000 
1 1 1   29    0   17 o   31.390   11.036   6.9274   10.375 0.000000 0.000000 
1 1 1   29    1    0 o   41.062   13.128   24.693   10.864 0.000000 0.000000 
1 1 1   29    1    1 o  171.697   3.5929  298.544   12.230 2.789291 7.185867 
1 1 1   29    1    2 o   70.476   6.3394   51.221   8.9190 3.234802 12.67875 
1 1 1   29    1    3 o  120.264   3.9730  146.165   9.4132 1.851990 7.945982 
1 1 1   29    1    4 o  118.180   3.6656  141.476   8.6514 -6.608192 7.331202 
1 1 1   29    1    5 o  117.336   4.5738  138.174   9.7715 3.270874 9.147530 
1 1 1   29    1    6 o  103.943   4.9090  109.926   9.7090 1.018112 9.818064 
1 1 1   29    1    7 o   51.226   7.2204   28.307   8.0648 43.48368 14.44082 
1 1 1   29    1    8 o   77.846   4.8475   62.136   7.4548 0.8278122 9.694906 
1 1 1   29    1    9 o   30.872   7.9393   6.7310   7.0221 14.60628 15.87858 
1 1 1   29    1   10 o  243.556   5.1943  558.783   24.275 60.34303 10.38860 
1 1 1   29    1   11 o   35.253   9.0466   8.0169   8.8315 -15.85318 18.09328 
1 1 1   29    1   12 o  158.554   3.5229  259.857   11.063 3.631897 7.045839 
1 1 1   29    1   13 o   70.768   5.2064   50.462   7.2141 9.069489 10.41279 
1 1 1   29    1   14 o   51.657   6.1497   28.213   6.1707 9.821678 12.29935 
1 1 1   29    1   15 o   88.154   3.7414   79.433   6.5798 -0.9368896E-01 7.482751 
1 1 1   29    1   17 o   34.970   9.4243   8.9833   8.8320 -19.54443 18.84858 
1 1 1   29    2    0 o  166.846   5.8556  288.944   18.632 0.000000 0.000000 
1 1 1   29    2    1 o  141.863   3.7441  203.576   10.561 -0.6302185 7.488185 
1 1 1   29    2    2 o  102.870   4.3916  105.077   8.9087 14.24107 8.783285 
1 1 1   29    2    3 o  138.579   4.3133  198.475   11.098 -7.511322 8.626593 
1 1 1   29    2    4 o   54.884   10.076   34.633   9.3763 -8.211201 20.15281 
1 1 1   29    2    5 o   58.344   8.3039   32.536   8.4710 17.03970 16.60789 
1 1 1   29    2    6 o  114.376   3.9651  132.254   8.8269 1.895844 7.930291 
1 1 1   29    2    7 o   84.955   4.4367   73.580   7.5328 4.016075 8.873487 
1 1 1   29    2    8 o   73.374   4.8283   55.710   7.0746 5.086029 9.656591 
1 1 1   29    2   10 o  362.325   9.5840  1334.40   69.451      ?      ? 
1 1 1   29    2   11 o   42.203   8.3141   19.612   8.8838 26.25232 16.62822 
1 1 1   29    2   12 o   67.775   5.4657   46.855   7.3125 14.97629 10.93132 
1 1 1   29    2   13 f  104.672   3.6399  111.266   7.3146 1.084679 7.279839 
1 1 1   29    2   14 o   67.179   5.9100   47.172   7.7589 19.78862 11.81997 
1 1 1   29    2   15 f   64.235   6.7028   47.614   8.5683 2.035786 13.40567 
1 1 1   29    2   16 o   94.292   6.2931   88.589   11.729 -17.93677 12.58629 
1 1 1   29    3    0 o   53.361   10.218   44.256   13.380 0.000000 0.000000 
1 1 1   29    3    1 o  112.352   4.6399  128.658   10.421 -3.962440 9.279738 
1 1 1   29    3    2 o   67.580   9.0181   50.922   9.9257 -6.991302 18.03616 
1 1 1   29    3    3 o   52.908   9.0998   30.194   9.0352 3.823185 18.19960 
1 1 1   29    3    4 f  108.438   3.9058  118.277   8.4329 10.88225 7.811587 
1 1 1   29    3    5 o   74.523   5.6099   55.494   8.1444 9.748978 11.21979 
1 1 1   29    3    6 o   83.439   5.0028   68.260   8.0853 14.69795 10.00554 
1 1 1   29    3    7 o   80.918   4.6158   67.140   7.4382 4.765427 9.231679 
1 1 1   29    3    8 o   30.083   7.5344   2.3624   7.4646 21.12677 15.06880 
1 1 1   29    3    9 o  148.207   6.8286  122.049   12.950 -171.7650 13.65720 
1 1 1   29    3   10 o  174.321   6.4256  307.105   22.402      ?      ? 
1 1 1   29    3   11 o   32.435   8.6436   11.601   7.5044 0.2166481 17.28712 
1 1 1   29    3   12 o   86.917   3.9903   76.569   6.9099 9.854073 7.980612 
1 1 1   29    3   13 o   91.744   4.1614   83.522   7.4558 12.61770 8.322879 
1 1 1   29    3   14 o   58.068   6.6232   36.483   7.3694 -2.676495 13.24649 
1 1 1   29    3   15 o   72.862   5.9768   37.271   10.104 108.0971 11.95352 
1 1 1   29    3   16 o   45.333   9.8262   23.127   10.349 14.29488 19.65231 
1 1 1   29    4    0 o   24.874   15.463   6.0809   15.037 0.000000 0.000000 
1 1 1   29    4    1 o   39.444   9.2482   16.586   8.6808 -6.748970 18.49644 
1 1 1   29    4    2 o   42.124   9.8389   19.307   9.3019 -2.126011 19.67771 
1 1 1   29    4    3 o  114.294   4.0964  133.037   9.2073 -1.037697 8.192788 
1 1 1   29    4    4 o  125.281   3.8878  155.717   9.4370 11.38421 7.775615 
1 1 1   29    4    5 o  130.522   3.9812  170.415   9.9340 8.468391 7.962497 
1 1 1   29    4    6 o   25.488   7.7354  -0.3405   7.4082 -5.591909 15.47082 
1 1 1   29    4    7 o   32.652   8.7495   6.5599   9.1681 -12.63351 17.49910 
1 1 1   29    4    9 f  197.904   6.5091  396.659   25.763      ?      ? 
1 1 1   29    4   10 o   70.897   6.1159   56.650   8.1442 8.102303 12.23176 
1 1 1   29    4   11 o   25.436   7.5853   1.1506   6.7500 5.141291 15.17058 
1 1 1   29    4   12 o   26.252   7.4263   1.6221   6.2836 12.49152 14.85255 
1 1 1   29    4   13 o   31.480   8.2390   8.9383   7.0254 -7.228666 16.47804 
1 1 1   29    4   15 o  103.350   7.6638  108.302   15.841      ?      ? 
1 1 1   29    5    0 o   21.334   10.337  -4.0194   11.782 0.000000 0.000000 
1 1 1   29    5    1 o   87.759   6.9779   84.600   11.455 -9.647034 13.95585 
1 1 1   29    5    2 o   25.081   8.1561  -7.0073   9.3550 1.987083 16.31213 
1 1 1   29    5    3 o  105.592   4.6450  110.261   9.6083 27.70097 9.290024 
1 1 1   29    5    4 o   17.841   6.2798 -25.4074   8.1183 2.436546 12.55957 
1 1 1   29    5    5 o   35.117   9.1158   9.5671   8.1254 9.360361 18.23168 
1 1 1   29    5    6 o  220.377   10.197  494.816   44.946      ?      ? 
1 1 1   29    5    7 o  208.231   5.0574  393.370   19.951 -78.24107 10.11478 
1 1 1   29    5    9 o   75.682   4.9207   58.288   7.3887 11.58411 9.841475 
1 1 1   29    5   10 o   71.299   5.4394   53.169   7.6807 2.365562 10.87881 
1 1 1   29    5   11 o   44.612   8.3532   22.634   7.5186 -0.8299026 16.70644 
1 1 1   29    5   12 o   80.385   5.6064   67.592   8.9810 -1.881020 11.21271 
1 1 1   29    5   14 o   51.499   13.518   28.667   14.100      ?      ? 
1 1 1   29    6    0 o  590.072   13.317  3637.98  149.574 0.000000 0.000000 
1 1 1   29    6    2 o  252.027   7.9825  642.422   40.236      ?      ? 
1 1 1   29    6    3 o   96.492   7.5089   94.039   14.491      ?      ? 
1 1 1   29    6    4 o  330.224   8.7714  1108.56   57.930      ?      ? 
1 1 1   29    6    5 o   78.610   11.859   65.791   18.645      ?      ? 
1 1 1   29    6    6 f   22.564   7.4051  -4.0774   7.5300 4.706593 14.81024 
1 1 1   29    6    7 o   47.717   7.9353   27.086   7.3415 -13.52445 15.87058 
1 1 1   29    6    8 o   88.392   4.8003   79.634   8.1037 2.648552 9.600606 
1 1 1   29    6    9 o  127.543   3.7411  163.075   8.8332 4.917397 7.482258 
1 1 1   29    6   10 o   81.022   4.8512   66.027   7.3148 5.657532 9.702320 
1 1 1   29    6   11 o   41.759   8.4872   20.366   7.3454 -3.950146 16.97433 
1 1 1   29    6   12 o   87.979   5.6104   86.552   9.6113 0.6239624 11.22078 
1 1 1   29    6   13 o   97.968   6.4839   95.586   12.386 -10.41261 12.96783 
1 1 1   29    7    0 o   44.417   14.664   33.928   13.678 0.000000 0.000000 
1 1 1   29    7    1 o   40.806   9.2496   19.290   8.5888 15.36683 18.49915 
1 1 1   29    7    2 o   31.391   8.8658   8.5876   8.2872 -3.635771 17.73155 
1 1 1   29    7    3 o   69.012   7.9578   52.445   8.3064 -4.752998 15.91564 
1 1 1   29    7    4 o   99.044   4.6305   94.618   8.2779 12.54350 9.260912 
1 1 1   29    7    5 o   48.157   8.2319   27.477   7.6468 -11.70086 16.46373 
1 1 1   29    7    6 o   65.898   6.3104   45.997   7.5660 -1.539581 12.62070 
1 1 1   29    7    7 o  100.656   4.3109  102.346   8.0354 3.228012 8.621801 
1 1 1   29    7    8 o   35.217   8.7395   12.738   7.2211 3.860313 17.47910 
1 1 1   29    7    9 o   53.933   7.7563   31.729   7.8227 5.683231 15.51266 
1 1 1   29    7   11 o  225.117   6.9144  512.767   31.131      ?      ? 
1 1 1   29    8    0 o  140.481   4.9990  201.238   13.932 0.000000 0.000000 
1 1 1   29    8    1 o   97.368   6.0023  100.778   10.936 -5.303474 12.00450 
1 1 1   29    8    2 o   38.936   8.5786   16.872   7.8359 -12.43284 17.15715 
1 1 1   29    8    3 o   93.830   4.3160   90.419   8.0959 3.842133 8.632065 
1 1 1   29    8    4 o   31.956   8.2980   9.9459   6.9704 0.9932957 16.59592 
1 1 1   29    8    5 o   47.108   8.2050   25.424   7.6483 -1.332352 16.41000 
1 1 1   29    8    6 o   44.286   8.7503   22.842   8.0109 -2.232822 17.50064 
1 1 1   29    8    7 f   38.649   8.2856   28.484   7.2555 -11.26388 16.57128 
1 1 1   29    8    9 o   96.098   10.080   94.579   19.373      ?      ? 
1 1 1   29    8   10 o   43.018   10.480   23.945   10.440 -6.483837 20.96004 
1 1 1   29    9    3 o   50.600   12.367   34.132   12.427      ?      ? 
1 1 1   29    9    5 o  140.417   7.8010   90.590   12.672 203.2563 15.60198 
1 1 1   29    9    6 o  185.924   5.5086  355.726   20.062 12.96638 11.01719 
1 1 1   29    9    7 o  138.687   4.4083  202.126   12.188 -15.01939 8.816565 
1 1 1   30    0    1 o   20.564   13.793  -3.3165   15.365 0.000000 0.000000 
1 1 1   30    0    2 o  161.372   5.6260  271.147   16.061 0.000000 0.000000 
1 1 1   30    0    3 f   40.564   13.427   24.807   12.614 0.000000 0.000000 
1 1 1   30    0    4 o  101.369   6.6757  107.540   12.205 0.000000 0.000000 
1 1 1   30    0    5 o  164.391   5.4536  281.234   16.042 0.000000 0.000000 
1 1 1   30    0    6 o   26.211   15.058   9.5931   12.375 0.000000 0.000000 
1 1 1   30    0    7 o  165.935   6.5864  277.843   21.783 0.000000 0.000000 
1 1 1   30    0    8 o   11.311   8.4541 -48.6857   14.908 0.000000 0.000000 
1 1 1   30    0    9 o   47.744   10.453   34.247   9.4554 0.000000 0.000000 
1 1 1   30    0   10 o   54.028   10.333   35.699   9.1468 0.000000 0.000000 
1 1 1   30    0   11 o   46.164   9.3473   32.747   8.8428 0.000000 0.000000 
1 1 1   30    0   12 o   23.098   10.008   6.1789   8.3039 0.000000 0.000000 
1 1 1   30    0   13 o   19.653   9.1512  -0.3216   8.9565 0.000000 0.000000 
1 1 1   30    0   14 o   37.051   12.418   22.476   13.348 0.000000 0.000000 
1 1 1   30    1    0 o   39.700   13.875   23.128   13.403 0.000000 0.000000 
1 1 1   30    1    1 o  128.418   4.5543  170.543   11.122 -6.078781 9.108690 
1 1 1   30    1    2 o  118.234   4.8749  138.798   10.871 10.49955 9.749900 
1 1 1   30    1    3 o  125.513   4.8861  156.838   11.172 8.647903 9.772141 
1 1 1   30    1    4 o   73.542   9.9595   70.914   10.510 -23.69146 19.91895 
1 1 1   30    1    5 o  134.263   3.8602  175.901   9.9741 19.54761 7.720301 
1 1 1   30    1    6 o  123.200   4.2171  143.373   10.009 44.28918 8.434195 
1 1 1   30    1    9 o   35.841   7.8489   6.9993   7.4335 32.27119 15.69784 
1 1 1   30    1   10 o   49.605   6.5567   26.601   6.2633 0.2794075 13.11343 
1 1 1   30    1   11 o   32.217   7.4707   9.8962   6.2045 15.14887 14.94135 
1 1 1   30    1   12 o  102.544   3.4908  106.295   7.1270 -7.773705 6.981673 
1 1 1   30    1   13 o   27.679   7.6072   6.0126   6.0628 -3.413939 15.21430 
1 1 1   30    1   14 o   87.834   6.1080   79.947   10.514 24.85052 12.21600 
1 1 1   30    1   15 o   51.418   9.3157   28.911   9.5074 5.865623 18.63150 
1 1 1   30    2    0 o   41.259   12.972   26.966   14.069 0.000000 0.000000 
1 1 1   30    2    1 o   54.396   9.2842   35.307   9.8058 -12.54459 18.56839 
1 1 1   30    2    2 o   58.715   8.9439   38.466   10.048 8.278580 17.88785 
1 1 1   30    2    3 o   62.091   8.7134   45.088   9.8083 -10.22345 17.42689 
1 1 1   30    2    4 o   20.629   7.0635 -23.3704   8.4826 11.35159 14.12704 
1 1 1   30    2    6 o  261.736   6.2942  690.714   32.948      ?      ? 
1 1 1   30    2    7 o   39.219   10.405   12.052   11.173 -5.100784 20.81063 
1 1 1   30    2    8 o   23.485   10.472  -3.1594   10.023      ?      ? 
1 1 1   30    2    9 o   26.060   7.8146   1.6673   7.2783 7.285841 15.62917 
1 1 1   30    2   10 o   39.906   7.8594   17.209   6.2759 3.680481 15.71874 
1 1 1   30    2   11 o   89.498   4.1350   82.602   7.0188 -2.657944 8.270012 
1 1 1   30    2   12 o  111.219   4.1471  116.357   8.0176 17.68198 8.294193 
1 1 1   30    2   13 o   19.649   6.5382  -5.0772   6.3510 1.341909 13.07640 
1 1 1   30    2   14 o   72.685   6.0313   52.103   8.4127 29.18575 12.06264 
1 1 1   30    2   15 o   21.189   10.287  -8.3800   13.730      ?      ? 
1 1 1   30    3    1 o   38.760   10.689   12.938   11.998 5.799480 21.37802 
1 1 1   30    3    3 o  100.010   6.8951   90.135   12.785 50.60075 13.79024 
1 1 1   30    3    4 o  172.123   6.0514  273.379   19.312 92.46561 12.10274 
1 1 1   30    3    5 o  451.978   8.3984  2095.72   75.876 6.900146 16.79688 
1 1 1   30    3    6 o  124.218   6.3202  155.450   15.702      ?      ? 
1 1 1   30    3    7 o   23.310   7.7206 -23.0407   8.8721 -16.84274 15.44127 
1 1 1   30    3    8 o   63.381   6.8132   48.971   7.6766 25.93706 13.62649 
1 1 1   30    3    9 o  115.927   3.2605  135.516   7.5424 7.357185 6.521047 
1 1 1   30    3   10 o   40.988   7.3395   18.614   6.1348 11.98492 14.67907 
1 1 1   30    3   11 o   50.379   6.6153   27.635   6.3973 3.076866 13.23069 
1 1 1   30    3   12 o   49.214   6.6417   24.381   6.3030 29.19959 13.28336 
1 1 1   30    3   14 o   94.203   8.1949   82.062   12.836 112.6258 16.38972 
1 1 1   30    4    0 f  593.227   15.808  3667.30  185.059 0.000000 0.000000 
1 1 1   30    4    4 o   41.916   10.995   14.220   12.520 7.748096 21.98979 
1 1 1   30    4    7 o   70.435   5.7139   50.746   7.9340 14.99471 11.42786 
1 1 1   30    4    8 o   80.494   4.6870   65.492   7.4823 11.22028 9.373990 
1 1 1   30    4    9 o   73.619   4.8498   55.980   7.1014 1.014175 9.699578 
1 1 1   30    4   10 o   66.030   5.2303   45.469   6.8856 -1.249969 10.46057 
1 1 1   30    4   11 o   23.762   7.2724  -0.0549   6.4426 -2.564154 14.54483 
1 1 1   30    4   12 o   37.583   7.0724   33.454   8.8066 39.73216 14.14477 
1 1 1   30    4   13 o   83.792   7.3255   71.119   12.276      ?      ? 
1 1 1   30    5    0 o   19.602   10.054 -42.7378   18.300 0.000000 0.000000 
1 1 1   30    5    1 o   24.348   8.2053 -17.0914   10.837 -1.517672 16.41063 
1 1 1   30    5    3 o   70.867   7.5955   64.797   9.2985 57.39609 15.19091 
1 1 1   30    5    4 f   19.087   6.5360 -15.4409   7.2906 7.653308 13.07196 
1 1 1   30    5    5 o   79.064   5.1918   64.032   8.1622 8.631187 10.38351 
1 1 1   30    5    6 o   77.597   5.1876   62.247   8.0447 -3.568863 10.37521 
1 1 1   30    5    7 o  136.497   3.7314  187.295   10.086 14.52676 7.462890 
1 1 1   30    5    8 o   90.542   4.0680   81.752   7.2571 21.07185 8.136021 
1 1 1   30    5    9 o   63.571   5.3126   41.943   6.7271 5.041420 10.62528 
1 1 1   30    5   10 o  122.006   3.4776  151.288   8.4497 8.674652 6.955241 
1 1 1   30    5   11 o   54.794   6.3220   32.762   7.8005 62.53122 12.64393 
1 1 1   30    5   12 o   92.223   7.7174   86.328   14.234      ?      ? 
1 1 1   30    6    0 o  111.386   7.1323  117.854   12.467 0.000000 0.000000 
1 1 1   30    6    1 o   70.073   7.2102   52.275   9.9306 -1.661781 14.42041 
1 1 1   30    6    2 o   29.844   8.5309   5.5584   7.9423 -2.616615 17.06177 
1 1 1   30    6    3 o   50.319   7.4583   28.229   7.2007 -2.130817 14.91659 
1 1 1   30    6    4 f   36.173   8.4356   14.326   7.0034 -0.2406845 16.87118 
1 1 1   30    6    5 o   62.231   5.9689   39.852   7.3405 8.394753 11.93779 
1 1 1   30    6    6 o  107.766   4.2437  115.569   8.7283 9.980736 8.487427 
1 1 1   30    6    7 o   73.744   5.7206   60.446   7.7294 -14.49908 11.44118 
1 1 1   30    6    8 o   81.252   4.8983   66.099   7.4641 7.606018 9.796508 
1 1 1   30    6   10 o   37.761   9.2074   3.9253   10.338 28.70387 18.41470 
1 1 1   30    6   11 o   89.407   6.8811   76.060   10.625 60.38633 13.76225 
1 1 1   30    7    0 o   19.039   13.708 -26.8550   22.650 0.000000 0.000000 
1 1 1   30    7    1 o   37.246   10.761   6.8851   9.7990 19.13551 21.52260 
1 1 1   30    7    2 o   72.508   5.9070   54.233   8.4678 11.32832 11.81396 
1 1 1   30    7    3 o   65.695   5.9549   46.691   7.4086 -6.908264 11.90988 
1 1 1   30    7    4 o   94.667   4.2281   91.092   7.6761 2.840233 8.456161 
1 1 1   30    7    5 o   80.591   5.0999   69.159   7.6624 -6.444214 10.19982 
1 1 1   30    7    6 o   86.964   4.9762   89.815   8.0379 -9.602402 9.952472 
1 1 1   30    7    7 o   76.818   5.4192   62.817   7.9753 3.218544 10.83835 
1 1 1   30    7    8 o  178.030   7.5495  321.402   26.881      ?      ? 
1 1 1   30    7    9 o   29.443   9.1906 -12.6592   10.952 -18.51707 18.38111 
1 1 1   30    8    2 o   45.985   10.026   28.324   10.123 0.3141022 20.05128 
1 1 1   30    8    3 o   19.090   9.3248 -20.6440   11.776      ?      ? 
1 1 1   30    8    4 o   94.348   7.3662   82.348   10.852 119.8309 14.73242 
1 1 1   30    8    5 o  113.953   4.8132  131.361   10.116 -0.6219482 9.626440 
1 1 1   30    8    6 o   81.000   7.1335   54.720   9.2154 82.12323 14.26703 
1 1 1   31    0    1 o  292.456   8.5148  862.965   49.711 0.000000 0.000000 
1 1 1   31    0    3 o   30.394   18.049   11.474   18.717 0.000000 0.000000 
1 1 1   31    0    4 o  107.571   6.6213  116.363   12.958 0.000000 0.000000 
1 1 1   31    0    5 o   17.553   8.7661  -9.2829   10.395 0.000000 0.000000 
1 1 1   31    0    6 o  134.822   5.3004  187.605   12.703 0.000000 0.000000 
1 1 1   31    0    7 o   26.311   10.662   10.001   8.9938 0.000000 0.000000 
1 1 1   31    0    8 o   18.949   8.9436  -1.2361   8.6136 0.000000 0.000000 
1 1 1   31    0    9 o   57.701   9.4948   39.247   9.0865 0.000000 0.000000 
1 1 1   31    0   10 o   37.694   11.369   22.500   9.1121 0.000000 0.000000 
1 1 1   31    0   11 f   19.943   9.2783   2.3474   8.6373 0.000000 0.000000 
1 1 1   31    0   12 o   15.823   8.2172 -39.4174   14.225 0.000000 0.000000 
1 1 1   31    0   13 o   26.843   11.200   9.4053   10.250 0.000000 0.000000 
1 1 1   31    1    0 o  251.111   8.2489  636.497   41.330 0.000000 0.000000 
1 1 1   31    1    1 o   97.680   7.0132   71.514   15.931 -148.7354 14.02645 
1 1 1   31    1    2 o   32.663   10.254  -5.6905   13.321 -4.728970 20.50878 
1 1 1   31    1    3 o  114.607   6.1574  132.735   14.113      ?      ? 
1 1 1   31    1    4 o   22.418   7.6399 -19.2536   8.9763 11.01743 15.27978 
1 1 1   31    1    5 o   27.734   8.2563   6.3162   7.4004 -0.2175503 16.51258 
1 1 1   31    1    6 o   96.823   4.0407   93.874   7.3641 5.630219 8.081329 
1 1 1   31    1    7 o   36.042   8.1131   13.042   6.3420 8.726683 16.22614 
1 1 1   31    1    8 o   49.111   7.3900   26.965   6.9714 -1.682091 14.77994 
1 1 1   31    1    9 o   42.626   7.8371   19.757   6.7727 11.98547 15.67428 
1 1 1   31    1   10 o   86.679   4.3854   75.546   7.4586 9.828506 8.770748 
1 1 1   31    1   11 o   26.024   7.3937   7.6727   6.3553 10.07537 14.78734 
1 1 1   31    1   12 o   38.134   7.7460   12.128   8.0766 28.38166 15.49197 
1 1 1   31    1   13 o   53.791   9.3694   32.597   9.8977 -6.008198 18.73883 
1 1 1   31    2    1 o   46.087   16.237   21.091   18.660      ?      ? 
1 1 1   31    2    2 o   84.584   7.7577   73.306   13.124      ?      ? 
1 1 1   31    2    5 o   31.197   9.4071   4.7673   8.3252 8.829412 18.81415 
1 1 1   31    2    6 o  102.752   4.0466  104.732   8.0708 10.65995 8.093223 
1 1 1   31    2    7 o   75.460   4.7948   58.183   7.1895 11.31286 9.589632 
1 1 1   31    2    8 o   53.237   6.6514   30.265   6.8276 15.89636 13.30272 
1 1 1   31    2    9 o   23.734   7.3000   0.1252   6.3660 -0.1121140E-01 14.60005 
1 1 1   31    2   10 o   26.146   7.6240   3.6956   6.1956 2.099957 15.24793 
1 1 1   31    2   11 o   18.759   6.5485   1.4437   6.8470 7.964145 13.09704 
1 1 1   31    2   12 o  221.359   5.1049  248.782   14.920 172.1329 10.20987 
1 1 1   31    3    0 o   28.632   12.406   9.8264   12.331 0.000000 0.000000 
1 1 1   31    3    1 o  106.520   5.3030  124.976   11.254 -6.168365 10.60592 
1 1 1   31    3    2 o   32.883   7.9474   4.9562   9.4815 26.84978 15.89485 
1 1 1   31    3    3 o  120.913   4.8528  152.512   11.092 1.406776 9.705694 
1 1 1   31    3    4 o   95.727   4.5090   94.565   8.5579 13.50860 9.018058 
1 1 1   31    3    5 o   83.170   4.4999   70.930   7.4540 9.925354 8.999774 
1 1 1   31    3    6 o   48.183   7.5226   26.597   7.2516 -16.65377 15.04523 
1 1 1   31    3    7 o  163.877   3.5514  267.607   11.329 13.90523 7.102757 
1 1 1   31    3    8 o   51.167   7.4317   28.372   7.2741 11.11048 14.86350 
1 1 1   31    3    9 o   29.339   8.0374   5.8475   6.7694 9.380804 16.07483 
1 1 1   31    3   10 o   13.378   4.7847  -5.3318   6.3084 0.7564240 9.569497 
1 1 1   31    3   11 o   87.662   4.8603   74.978   8.2632 30.38323 9.720507 
1 1 1   31    4    0 o   35.621   14.049   18.700   13.143 0.000000 0.000000 
1 1 1   31    4    1 o   39.277   9.6786   16.258   9.3337 -0.4204559E-01 19.35711 
1 1 1   31    4    2 o   79.250   5.6347   65.574   8.8484 3.580643 11.26945 
1 1 1   31    4    3 o   64.465   5.9258   43.904   7.5520 -10.69619 11.85151 
1 1 1   31    4    4 o   54.535   6.8720   32.132   7.2197 17.35057 13.74397 
1 1 1   31    4    5 o   25.428   7.7296   0.8647   7.0857 0.1161098 15.45913 
1 1 1   31    4    6 o   42.197   8.4462   19.964   7.4794 -7.803440 16.89248 
1 1 1   31    4    7 o   75.294   5.3832   59.693   8.0501 7.168228 10.76631 
1 1 1   31    4    8 o  104.115   3.8372  110.410   7.9706 8.401207 7.674475 
1 1 1   31    4   10 o   85.811   6.4335   81.206   9.7045 16.66527 12.86702 
1 1 1   31    4   11 o   52.341   6.9513   27.728   8.6509 -53.87943 13.90260 
1 1 1   31    5    0 o   18.223   9.2198 -13.8382   11.496 0.000000 0.000000 
1 1 1   31    5    1 o   48.574   7.8444   26.552   7.4684 -4.617271 15.68890 
1 1 1   31    5    2 o   26.591   8.2292  -0.9391   8.3811 -4.261000 16.45836 
1 1 1   31    5    3 o   54.212   7.5410   33.014   7.8738 9.326767 15.08210 
1 1 1   31    5    4 o   46.631   7.8140   24.534   7.1683 2.830536 15.62791 
1 1 1   31    5    5 o   81.410   4.5395   68.048   7.3690 6.147057 9.078975 
1 1 1   31    5    6 o   99.818   3.8752  101.874   7.7323 3.512558 7.750429 
1 1 1   31    5    7 o  114.092   5.0450  153.621   10.041 -11.15377 10.08991 
1 1 1   31    5    8 o   61.871   7.0129   28.336   8.2903 69.37627 14.02577 
1 1 1   31    5    9 o  117.234   7.1004  110.938   12.579 -110.9007 14.20089 
1 1 1   31    5   10 o   59.541   6.0322   46.060   8.2995 74.37357 12.06445 
1 1 1   31    6    0 o   31.679   13.392   14.630   15.276 0.000000 0.000000 
1 1 1   31    6    1 o   59.247   6.7637   36.625   7.8743 -7.291962 13.52746 
1 1 1   31    6    2 o   26.974   7.9121   3.5412   7.0371 1.406544 15.82425 
1 1 1   31    6    3 o   30.963   8.5207   8.4899   7.3867 -4.663025 17.04135 
1 1 1   31    6    4 o   52.401   6.8968   36.533   7.0678 -7.494808 13.79354 
1 1 1   31    6    5 o   23.461   7.1107   7.5120   7.2370 17.68687 14.22149 
1 1 1   31    6    6 o   81.777   5.2772   72.541   8.0462 30.66979 10.55440 
1 1 1   31    6    7 o   60.922   11.333   39.376   13.293      ?      ? 
1 1 1   31    6    8 o   33.499   8.6577   5.3680   9.3034 -20.27415 17.31543 
1 1 1   31    7    0 o   20.496   13.350   0.2495   12.824 0.000000 0.000000 
1 1 1   31    7    1 o   75.610   8.0578   43.664   10.553 -74.85458 16.11561 
1 1 1   31    7    2 o   78.071   6.2781   60.782   9.5632 7.384277 12.55622 
1 1 1   31    7    3 o  104.132   5.7231  112.601   11.558 28.39339 11.44624 
1 1 1   31    7    5 o   67.508   7.3175   42.174   9.0862 68.90800 14.63493 
1 1 1   32    0    0 o   55.292   15.796   38.231   15.123 0.000000 0.000000 
1 1 1   32    0    1 o   79.229   7.2870   65.559   11.364 0.000000 0.000000 
1 1 1   32    0    2 o   45.072   15.133   27.560   12.146 0.000000 0.000000 
1 1 1   32    0    3 o  110.054   6.0404  123.824   13.211 0.000000 0.000000 
1 1 1   32    0    4 o   89.746   7.1208   81.232   11.373 0.000000 0.000000 
1 1 1   32    0    5 o   34.467   12.038   18.657   12.140 0.000000 0.000000 
1 1 1   32    0    6 o   26.738   11.661   8.6568   12.024 0.000000 0.000000 
1 1 1   32    0    7 o   23.983   10.834   3.5404   9.7466 0.000000 0.000000 
1 1 1   32    0    8 o   32.128   11.782   24.603   9.1793 0.000000 0.000000 
1 1 1   32    0    9 o   10.344   7.6985 -33.2076   11.441 0.000000 0.000000 
1 1 1   32    0   10 o  109.495   7.2801  122.284   15.799 0.000000 0.000000 
1 1 1   32    1    0 o   26.267   11.459   8.3777   10.827 0.000000 0.000000 
1 1 1   32    1    1 o   31.345   8.7071   7.3341   7.9512 -6.594379 17.41425 
1 1 1   32    1    2 o   46.595   8.4152   24.540   7.9676 -11.97811 16.83043 
1 1 1   32    1    3 o   55.524   7.7510   34.388   8.2914 0.4540253E-01 15.50196 
1 1 1   32    1    4 o   94.442   4.8111   91.645   9.0647 -8.124481 9.622252 
1 1 1   32    1    5 o   79.253   7.9928   72.620   9.7130 -12.26983 15.98568 
1 1 1   32    1    6 o   66.728   5.8113   47.463   7.3233 -3.872002 11.62255 
1 1 1   32    1    7 o   63.665   6.4564   40.818   7.4715 7.362179 12.91289 
1 1 1   32    1    9 o   98.730   5.3399   89.802   9.9161 -28.77289 10.67982 
1 1 1   32    1   10 o   70.448   6.9854   50.751   9.7772 -3.464523 13.97075 
1 1 1   32    2    0 o  111.413   6.4793  125.319   12.593 0.000000 0.000000 
1 1 1   32    2    1 o   29.806   8.4859   5.6946   7.9144 4.269325 16.97178 
1 1 1   32    2    2 o   80.310   5.1048   66.823   8.1817 -0.5979767 10.20968 
1 1 1   32    2    3 o   31.855   8.6628   8.0210   7.8071 -7.356766 17.32560 
1 1 1   32    2    4 o  178.934   4.0661  323.116   13.454 -5.729065 8.132146 
1 1 1   32    2    5 o   33.206   8.8903   8.8579   7.8438 -10.78206 17.78063 
1 1 1   32    2    6 o   27.010   7.9491   2.5323   7.3030 5.993750 15.89818 
1 1 1   32    2    7 o   43.514   8.0340   24.732   7.0378 -0.1358223 16.06793 
1 1 1   32    2    9 o   79.034   6.5118   60.789   9.9535 -28.40120 13.02359 
1 1 1   32    2   10 o   25.217   7.9090  -2.0534   7.7474 5.012703 15.81809 
1 1 1   32    3    0 o   22.866   10.596   2.4324   9.9028 0.000000 0.000000 
1 1 1   32    3    1 o   66.938   5.9749   47.688   7.8733 13.39304 11.94980 
1 1 1   32    3    2 f   39.229   8.7235   17.593   7.7126 4.882687 17.44709 
1 1 1   32    3    3 o  103.468   4.0224  109.845   8.3236 0.6204758 8.044734 
1 1 1   32    3    4 o   82.837   5.0416   69.968   8.1818 -6.905739 10.08322 
1 1 1   32    3    5 o   30.518   8.4592   7.6684   7.4049 -1.492311 16.91836 
1 1 1   32    3    6 o   91.868   4.6014   95.767   8.4008 14.62772 9.202818 
1 1 1   32    3    7 f   51.089   7.7015   27.984   8.1673 37.10970 15.40291 
1 1 1   32    3    8 o   78.005   6.3197   62.148   9.8413 2.824577 12.63949 
1 1 1   32    3    9 o   57.084   7.9402   37.790   8.7918 -31.04171 15.88047 
1 1 1   32    4    0 o   26.689   11.614   8.7895   9.8310 0.000000 0.000000 
1 1 1   32    4    1 o   30.139   8.4399   6.4255   7.5670 -6.016907 16.87977 
1 1 1   32    4    2 o   42.149   8.7550   20.563   7.8127 0.1651802 17.50994 
1 1 1   32    4    3 o  111.114   3.9545  127.528   8.7609 3.422867 7.909087 
1 1 1   32    4    4 o   40.477   8.9372   30.865   7.9364 -3.618340 17.87443 
1 1 1   32    4    5 o   19.359   6.6108  -3.8001   7.8099 1.197819 13.22160 
1 1 1   32    4    6 o  120.737   3.9394  139.582   9.2009 25.28172 7.878736 
1 1 1   32    4    7 o  116.803   6.5938  137.857   15.404      ?      ? 
1 1 1   32    4    8 o   57.788   7.1103   34.744   9.1349 -61.45205 14.22055 
1 1 1   32    5    0 o   36.603   11.459   26.615   10.839 0.000000 0.000000 
1 1 1   32    5    1 o   85.946   5.1830   80.897   8.7350 12.45448 10.36598 
1 1 1   32    5    2 o   27.743   7.7739  -0.7882   8.0238 16.40673 15.54774 
1 1 1   32    5    3 o   23.112   7.4657 -12.4809   8.7030 8.510218 14.93134 
1 1 1   32    5    4 o   35.772   13.088   11.101   12.225      ?      ? 
1 1 1   32    5    5 o   98.112   5.4493   86.240   10.038 -42.14019 10.89857 
1 1 1   32    5    6 o   25.022   7.7263  -4.5936   7.5733 11.77101 15.45256 
1 1 1   32    6    0 o   35.467   12.448   20.024   10.579 0.000000 0.000000 
1 1 1   32    6    1 o   91.260   5.1576   85.516   9.3707 -11.13756 10.31530 
1 1 1   32    6    2 o   24.309   8.0529 -11.2212   9.8481 2.954342 16.10572 
1 1 1   32    6    3 o   41.604   7.9984   29.574   8.4611 27.31161 15.99674 
1 1 1   33    0    1 o   19.000   12.059   6.8148   9.6820 0.000000 0.000000 
1 1 1   33    0    2 f   99.329   6.0560  144.578   11.938 0.000000 0.000000 
1 1 1   33    0    3 o   15.576   10.960   6.3929   12.421 0.000000 0.000000 
1 1 1   33    0    4 o   18.192   12.525  -6.6980   14.187 0.000000 0.000000 
1 1 1   33    0    5 o  176.142   7.2568  314.136   25.471 0.000000 0.000000 
1 1 1   33    0    6 o  217.246   7.2587  476.640   31.461 0.000000 0.000000 
1 1 1   33    0    7 o   14.972   7.7876 -25.5550   11.122 0.000000 0.000000 
1 1 1   33    1    0 o   41.715   10.102   57.969   10.200 0.000000 0.000000 
1 1 1   33    1    3 o   87.845   4.8315   85.418   8.3756 15.88851 9.662940 
1 1 1   33    1    4 o   22.080   10.249  -8.3459   10.859      ?      ? 
1 1 1   33    1    5 o  111.387   6.7657   99.034   11.842 -168.4685 13.53138 
1 1 1   33    1    6 o  110.205   5.7512  122.828   12.624 -13.45089 11.50233 
1 1 1   33    1    7 o   27.145   8.5512   0.0479   9.5364 -2.884518 17.10248 
1 1 1   33    2    0 o   16.952   8.9172 -21.6633   9.9851 0.000000 0.000000 
1 1 1   33    2    1 o   22.630   7.2553  -2.2197   7.1210 -0.8306503E-01 14.51065 
1 1 1   33    2    2 o   23.421   7.1715  -2.0048   6.5465 7.976778 14.34302 
1 1 1   33    2    3 o   70.796   5.3801   51.772   7.4526 4.354240 10.76029 
1 1 1   33    2    4 o   39.414   11.807   16.293   10.032      ?      ? 
1 1 1   33    2    5 o   96.490   6.8550   84.638   9.5927 -126.5875 13.71009 
1 1 1   33    2    6 o   43.141   9.7878   13.539   10.614 30.19328 19.57564 
1 1 1   33    3    0 o   57.585   12.399   49.173   11.025 0.000000 0.000000 
1 1 1   33    3    1 o  143.344   7.1188   81.559   11.024 -193.8650 14.23751 
1 1 1   33    3    2 o   51.011   8.6334   23.260   8.6475 -29.38144 17.26682 
1 1 1   33    3    3 o   78.558   6.7295   52.252   8.5181 -71.53407 13.45903 
1 1 1   33    3    4 o   45.980   6.6925   16.723   7.8584 -47.78802 13.38496 
1 1 1   33    3    5 o   22.000   6.9884  -7.0756   7.1927 10.34495 13.97674 
1 1 1   33    4    0 o   23.845   10.949   3.5195   10.767 0.000000 0.000000 
1 1 1   33    4    1 o   31.195   8.6516   7.6375   7.9581 -3.283096 17.30327 
1 1 1   33    4    2 o   28.862   7.5948   2.5862   7.4613 20.04814 15.18954 
#END OF REFLECTIONS
